NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type subtype subsubtype
7368 1kbh cing 1-original 1 AMBER distance NOE simple


#   1 GLU- HA      2 GLY  QA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2=  21,  22,
 &end
#
#  2 GLY HN      3 GLN HN   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  26, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  2 GLY HN      4 SER QB   5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  47,  48,
 &end
#
#  2 GLY HN      1 GLU- QG  5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  11,  12,
 &end
#
#  4 SER HN      3 GLN HN   3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  26, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  4 SER HN      5 ASP- QB  5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  58,  59,
 &end
#
#  4 SER HN      3 GLN QG   5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  33,  34,
 &end
#
#  5 ASP- HN     6 GLU- HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  66, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  5 ASP- HN     9 LEU  QD1 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 124, 125, 126,
 &end
#
#  5 ASP- HN     9 LEU  QD1 5.0   (#ONE OF THESE SHOULD BE MEDIUM)
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 124, 125, 126,
 &end
#
#  5 ASP- QB     8 ALA  QB  5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  58,  59,
 igr2= 109, 110, 111,
 &end
#
#  6 GLU- HN     5 ASP- HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  54, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  6 GLU- HN     7 ARG+ HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  81, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  6 GLU- HN     4 SER  HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  45, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  6 GLU- HN     3 GLN  HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  28, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  6 GLU- HN     6 GLU- QG  4.0  (#released0617penalty)
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  73,  74,
 &end
#
#  7 ARG+ HN     6 GLU- HN  3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  66, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  7 ARG+ HN     8 ALA  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  81, 105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  7 ARG+ HN     5 ASP- HA  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  56, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  7 ARG+ HN     4 SER  HA  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  45, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  7 ARG+ HN     7 ARG+ QG  4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  88,  89,
 &end
#
#  7 ARG+ HN     6 GLU- QG  5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  73,  74,
 &end
#
#  7 ARG+ HA     10 LEU  HB3 4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 139, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  7 ARG+ HA     10 LEU  HB2 4.0
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 138, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  7 ARG+ HA     10 LEU  HG  5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 141, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  7 ARG+ HA     10 LEU  QQD 4.5  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 143, 144, 145, 147, 148, 149,
 &end
#
#  7 ARG+ HA     10 LEU  HN  4.5  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  8 ALA  HN     7 ARG+ HN  3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  81, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  8 ALA  HN     7 ARG+ QB  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  85,  86,
 &end
#
#  8 ALA  HN     7 ARG+ QG  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  88,  89,
 &end
#
#  8 ALA  HN     5 ASP- HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  56, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  8 ALA  HA     11 ASP- HB3 4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 158, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  8 ALA  HA     11 ASP- HB2 4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 157, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  9 LEU  HN     10 LEU  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 134, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  9 LEU  HN     6 GLU- HA  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  68, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  9 LEU  HN     6 GLU- QB  5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  70,  71,
 &end
#
#  9 LEU  HN     9 LEU  QD1 4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 124, 125, 126,
 &end
#
#  9 LEU  HN     9 LEU  QD2 5.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 128, 129, 130,
 &end
#
#  9 LEU  HA     12 GLN  QB  4.2  (#from4.0to4.2on0920)
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 169, 170,
 &end
#
#  9 LEU  HA     12 GLN  QG  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 172, 173,
 &end
#
#  9 LEU  HB3    6 GLU- HA  4.0  (#0619hmqcnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 120,  68, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  9 LEU  HA     12 GLN QE  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 177, 178,
 &end
#
#  10 LEU  HN     7 ARG+ HA  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  83, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  10 LEU  HN     10 LEU  HG  4.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 134, 141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  10 LEU  HN     10 LEU  QD1 5.0   (#RELEASED - NO STEREO)
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 143, 144, 145,
 &end
#
#  10 LEU  HN     10 LEU  QD2 5.0   (#RELEASED - NO STEREO  )
 &rst
  ixpk= 0, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 147, 148, 149,
 &end
#
#  11 ASP- HN     10 LEU  HN  2.7
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 134, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  11 ASP- HN     12 GLN  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 165, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  11 ASP- HN      8 ALA  HA  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  11 ASP- HN     12 GLN  QG  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 172, 173,
 &end
#
#  11 ASP- HN     10 LEU  HG  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 141, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  11 ASP- HN     10 LEU  QD1 5.0   (#RELEASED - NO STEREO)
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 143, 144, 145,
 &end
#
#  11 ASP- HN     10 LEU  QD2 5.0   (#RELEASED - NO STEREO)
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 147, 148, 149,
 &end
#
#  11 ASP- HA      7 ARG+ QD  5.5  (#spindifreleasedfrom5.0to5.5on0911 )
 &rst
  ixpk= 0, nxpk= 0, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  91,  92,
 &end
#
#  11 ASP- HA     14 HIS  HN  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 201, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 ASP- HA     15 THR  HN  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 ASP- HB3     8 ALA  QB  6.5  (#spindiff0515)
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 109, 110, 111,
 &end
#
#  11 ASP- HB3     8 ALA  HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 ASP- HB2     8 ALA  QB  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 109, 110, 111,
 &end
#
#  11 ASP- HB2     8 ALA  HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 ASP- HB3     7 ARG+ QD  5.5  (#0822cnnoeoutto5.5from5.0on0911spindif?)
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  91,  92,
 &end
#
#  11 ASP- HB2     7 ARG+ QD  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  91,  92,
 &end
#
#  11 ASP- HB3    12 GLN  QB  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 169, 170,
 &end
#
#  11 ASP- HB2    12 GLN  QB  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 169, 170,
 &end
#
#  12 GLN  HN     13 LEU  HN  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 182, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  12 GLN  HN     11 ASP- HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 153, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  12 GLN  HN      8 ALA  HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  12 GLN  HN      9 LEU  HA  4.0   
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 117, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  12 GLN  HN     12 GLN  HG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  12 GLN  HN     12 GLN  HG3 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 173, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  12 GLN  HA     15 THR  HB  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 222, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  12 GLN  HB3     9 LEU  QQD 5.5  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#  12 GLN  HB3     8 ALA  QB  5.5  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 170,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 109, 110, 111,
 &end
#
#  13 LEU  HN     12 GLN  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 165, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  13 LEU  HN     12 GLN  HG3 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 173, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  13 LEU  HN     12 GLN  HG2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 172, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  13 LEU  HN     10 LEU  HA  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 136, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  13 LEU  HN      9 LEU  HA  5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 117, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  13 LEU  HA     16 LEU  HB3 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  13 LEU  HA     16 LEU  HB2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 236, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  13 LEU  HA     17 LEU  QD2 5.0  (#poss to V229qg2)
 &rst
  ixpk= 0, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 264, 265, 266,
 &end
#
#  14 HIS  HN     14 HIS  HD2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 214, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  14 HIS  HN     11 ASP- HA  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 155, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  14 HIS  HN     12 GLN  HA  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 201, 167, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  15 THR  HN     16 LEU  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 232, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  15 THR  HN     12 GLN  HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 167, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  15 THR  HN     16 LEU  HB3 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  15 THR  HN     15 THR  QG2 5.0  (#released0515)
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 224, 225, 226,
 &end
#
#  15 THR  HB     12 GLN  HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 167, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  15 THR  HA     19 ASN  QD2 6.0  (#0822cnnoe-releasedfrom5to6spndif?0906)
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 290, 291,
 &end
#
#  15 THR  HA     19 ASN   HN 5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 281, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  16 LEU  HN     15 THR  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  16 LEU  HN     17 LEU  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  16 LEU  HN     13 LEU  HA  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 184, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  16 LEU  HN     15 THR  QG2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 224, 225, 226,
 &end
#
#  16 LEU  HA     15 THR  QG2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 234,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 224, 225, 226,
 &end
#
#  16 LEU  QB     13 LEU  HA   4.0   (#0617hmqcnewlyassignedbeta)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 236, 237,
 &end
#
#  17 LEU  HN     16 LEU  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 232, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  17 LEU  HN     18 SER  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 270, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  17 LEU  HN     14 HIS  HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 203, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  17 LEU  HN     16 LEU  HG  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 239, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  17 LEU  HN     18 SER  QB  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 274, 275,
 &end
#
#  17 LEU  HN     17 LEU  QD1 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 260, 261, 262,
 &end
#
#  17 LEU  HN     17 LEU  QD2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 264, 265, 266,
 &end
#
#  17 LEU  QD1    90 PHE  QD  5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 260, 261, 262,
 igr2=1381,1389,
 &end
#
#  17 LEU  QD1    90 PHE  QE  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 260, 261, 262,
 igr2=1383,1387,
 &end
#
#  17 LEU  QD2    90 PHE  QD  5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 264, 265, 266,
 igr2=1381,1389,
 &end
#
#  17 LEU  QD2    90 PHE  QE  4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 264, 265, 266,
 igr2=1383,1387,
 &end
#
#  17 LEU  QQD    80 LEU  QQD 5.0LOWERLIMIT!!!!!!
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 4.50, r2= 5.00, r3= 25.00, r4= 25.50,
 igr1= 260, 261, 262, 264, 265, 266, 
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#  17 LEU  HA     19 ASN  HN  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 281, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 SER  HN     17 LEU  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  18 SER  HN     19 ASN  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 281, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  18 SER  HN     19 ASN  HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 SER  HN     16 THR  HA  4.0   (#releasedfrom3.5/0612)
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  19 ASN  HN     18 SER  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 270, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  19 ASN  HN     20 THR  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  19 ASN  HN     16 LEU  HA  5.0  (#released,0622)
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 234, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 ASN  QD     21 ASP- QB  5.0  (#added0622)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 290, 291,
 igr2= 313, 314,
 &end
#
#  19 ASN  HB3    15 THR  HB  5.5  (#0822cnnoe-released5to5.5spndif?0907)
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  19 ASN  HB3    15 THR QG2  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 224, 225, 226,
 &end
#
#  19 ASN  HB3    16 LEU  HA  4.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  19 ASN  HB3    16 LEU QQD  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 241, 242, 243, 245, 246, 247,
 &end
#
#  19 ASN  HB2    15 THR  HB  6.5  (#0822cnnoe-released5to6.5spndif?0911)
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 222, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  19 ASN  HB2    15 THR QG2  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 224, 225, 226,
 &end
#
#  19 ASN  HB2    16 LEU  HA  4.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 234, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  19 ASN  HB2    16 LEU QQD  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 241, 242, 243, 245, 246, 247,
 &end
#
#  20 THR  HN     21 ASP- HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  20 THR  HN     19 ASN  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 281, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  20 THR  HN     20 THR  QG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 301, 302, 303,
 &end
#
#  21 ASP- HN     22 ALA  HN  4.5  (#wkerthanrecipbecauserecipcontainsovlpfromTHR48!!)
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 321, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  21 ASP- HN     20 THR  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  22 ALA  HN     23 THR  HN  3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 331, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  22 ALA  HA     25 LEU HB2  4.5  (#0607hmqcnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 356, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  22 ALA  HA     25 LEU HB3  4.5  (#0607hmqcnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 357, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  22 ALA  HA     25 LEU QQD  5.0  (#0620hmqcnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 361, 362, 363, 365, 366, 367,
 &end
#
#  22 ALA  QB     23 THR QG2  5.5  (#0703hmqcnoe)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 325, 326, 327,
 igr2= 337, 338, 339,
 &end
#
#  22 ALA  QB     25 LEU QQD  5.0  (#0703hmqcnoe)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 325, 326, 327,
 igr2= 361, 362, 363, 365, 366, 367,
 &end
#
#  23 THR  HN     24 GLY  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 345, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  23 THR  HN     22 ALA  HN  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  23 THR  HN     25 LEU  QD1 6.0  (#RELEASED - NO STEREO)
 &rst
  ixpk= 0, nxpk= 0, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 361, 362, 363,
 &end
#
#  23 THR  HA     26 GLU- HB3 4.5  (#0607hmqcnoe-releasedto3.8on0924to4.0on0926to4.5on1002)
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 376, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  23 THR  HA     26 GLU- QG  5.4  (#releasedto5.2on0924to5.4on0926)
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 378, 379,
 &end
#
#  24 GLY  HN     25 LEU  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 352, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  24 GLY  HN     23 THR  QG2 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 337, 338, 339,
 &end
#
#  24 GLY  QA     23 THR  QG2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 347, 348,
 igr2= 337, 338, 339,
 &end
#
#  25 LEU  HN     24 GLY  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 345, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  25 LEU  HN     26 GLU- HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  25 LEU  HN     22 ALA  HA  5.0  (#weakincnnoe3.5to5.0on1010)
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 LEU  HN     23 THR  HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 333, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 LEU  HN     25 LEU  HG  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 359, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 LEU QQD     90 PHE  QE  4.0  (#hmqcnoe0517)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 361, 362, 363, 365, 366, 367,
 igr2=1383,1387,
 &end
#
#  25 LEU QQD     90 PHE  QD  5.0  (#hmqcnoevwkspinddif?0517)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 361, 362, 363, 365, 366, 367,
 igr2=1381,1389,
 &end
#
#  25 LEU QQD     80 LEU  QQD 4.5  (#hmqcnoeABSOLUTELEY!!0615)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 361, 362, 363, 365, 366, 367,
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#  26 GLU- HN     23 THR  HA  4.5  (#released3.5to4.0on0619releasedfrom4.0to4.5on0925)
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  26 GLU- HA     29 ASP- QB  4.0  (#releasedon0622)
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 424, 425,
 &end
#
#  26 GLU- QG     27 GLU- HB3 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 378, 379,
 &end
#
#  26 GLU- QG     27 GLU- HB2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 378, 379,
 &end
#
#  27 GLU- HN     28 ILE  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 401, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  27 GLU- HN     24 GLY  QA  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 347, 348,
 &end
#
#  27 GLU- HN     25 LEU  HA  4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 354, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  27 GLU- HN     28 ILE  QG1 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 411, 412,
 &end
#
#  27 GLU- HN     30 ARG+ HD3 6.0  (#0822cnnoe-changedto5.5on0910spindiff-outto6.0on0924)
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 443, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  28 ILE  HN     29 ASP- HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  28 ILE  HN     27 GLU- HN  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 386, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  28 ILE  HN     28 ILE  HG13 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  28 ILE  HN     28 ILE  HG12 3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 411, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  28 ILE  HN     25 LEU  HA  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  28 ILE  HN     26 GLU- HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  28 ILE  HA     31 ALA  QB  4.0
 &rst
  ixpk= 0, nxpk= 0, iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 460, 461, 462,
 &end
#
#  28 ILE  HB     90 PHE  QE  6.5  (#FENOEpossspindiff)
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2=1383,1387,
 &end
#
#  28 ILE  HB     25 LEU  HA  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 354, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  28 ILE  QG2    80 LEU QD1 4.5  (#0602hmqcnoebeefedupfrom5to4.5on0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 407, 408, 409,
 igr2=1229,1230,1231,
 &end
#
#  28 ILE  QG2    80 LEU QD2 4.5  (#0602hmqcnoeasaboveline)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 407, 408, 409,
 igr2=1233,1234,1235,
 &end
#
#  28 ILE  QG2    90 PHE QD  5.5  (#1002cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 407, 408, 409,
 igr2=1381,1389,
 &end
#
#  28 ILE  QG2    90 PHE HZ  4.0  (#0602hmqcnoe#beefedupto4.0on0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 407, 408, 409,
 &end
#
#  28 ILE  QD1    90 PHE HZ  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 414, 415, 416,
 &end
#
#  28 ILE  HA     90 PHE HZ  6.0  (#ambiguousheorhz0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 403,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  28 ILE  HA     32 LEU HN  5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 466, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 ASP- HN     30 ARG+ HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  29 ASP- HN     28 ILE  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 401, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  29 ASP- HN     25 LEU  HA  4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 354, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  29 ASP- HN     26 GLU- HA  3.5  (#ifat4.20->quite strong!releasedto3.5from3.2)
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 373, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  29 ASP- HN     30 ARG+ HG2 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 439, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 ASP- HN     30 ARG+ HG3 5.5  (#releasedfrom5.0to5.5on0924)
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 440, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  29 ASP- HN     28 ILE  QG2 5.0   
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 407, 408, 409,
 &end
#
#  29 ASP- HN     28 ILE  QD1 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 414, 415, 416,
 &end
#
#  29 ASP- HN     28 ILE  QG1 5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 411, 412,
 &end
#
#  29 ASP- HB2    98 TYR  QE  5.0  (#hmqcnoe0602)
 &rst
  ixpk= 0, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1531,1536,
 &end
#
#  29 ASP- HB2    34 ILE  QD1 5.0  (#cnnoe0822)
 &rst
  ixpk= 0, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 505, 506, 507,
 &end
#
#  29 ASP- HA     32 LEU  QQD 4.5  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 475, 476, 477, 479, 480, 481,
 &end
#
#  29 ASP- HA     34 ILE   HB 5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 496, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 ASP- HA     34 ILE  QD1 4.5  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 505, 506, 507,
 &end
#
#  29 ASP- HA     34 ILE  QG2 5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 498, 499, 500,
 &end
#
#  29 ASP- HA     32 LEU   HN 5.0  (#0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 466, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  30 ARG+ HN     29 ASP- HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  30 ARG+ HN     27 GLU- HA  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 432, 388, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  30 ARG+ HN     30 ARG+ QD  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 442, 443,
 &end
#
#  30 ARG+ HN     30 ARG+ QG  3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 439, 440,
 &end
#
#  30 ARG+ QB     27 GLU- HA  4.0  (#tightened0623)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 436, 437,
 &end
#
#  31 ALA  HN     28 ILE  HA  3.5  (#beefedup0822cnnoe)
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 403, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  31 ALA  HN     29 ASP- HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 422, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  31 ALA  HN     30 ARG+ QG  3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 439, 440,
 &end
#
#  32 LEU  HN     33 GLY  HN  2.7
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 485, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  32 LEU  HN     30 ARG+ HA  5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  32 LEU  HN     32 LEU  HG  3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 473, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  32 LEU  QD2    90 PHE  QD  6.0  (#hmqcnoe 0508spindif )
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 479, 480, 481,
 igr2=1381,1389,
 &end
#
#  32 LEU  QD1    90 PHE  QD  6.0  (#hmqcnoe 0508spindif)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 475, 476, 477,
 igr2=1381,1389,
 &end
#
#  32 LEU  QD2    90 PHE  QE  4.5  (#hmqcnoe 0508)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 479, 480, 481,
 igr2=1383,1387,
 &end
#
#  32 LEU  QD1    90 PHE  QE  4.5  (#hmqcnoe 0508)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 475, 476, 477,
 igr2=1383,1387,
 &end
#
#  32 LEU  QD1    80 LEU QD1  4.5  (#HMQCNOE0517)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 475, 476, 477,
 igr2=1229,1230,1231,
 &end
#
#  32 LEU  QD1    80 LEU QD2  4.5  (#cnnoe0822cnnoe)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 475, 476, 477,
 igr2=1233,1234,1235,
 &end
#
#  32 LEU  QD2    80 LEU QD1  4.5  (#hmqcnoe0530)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 479, 480, 481,
 igr2=1229,1230,1231,
 &end
#
#  32 LEU  QD2    80 LEU QD2  5.0  (#cnnoe0822-releasedto5.0from4.5on0920)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 479, 480, 481,
 igr2=1233,1234,1235,
 &end
#
#  33 GLY  HN     31 ALA  HA  4.0
 &rst
  ixpk= 508, nxpk= 0, iat= 485, 458, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  33 GLY  HN     32 LEU  HG  5.0   (#releasedby0.5Angon0611another0.5on0615)
 &rst
  ixpk= 508, nxpk= 0, iat= 485, 473, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  33 GLY  HN     32 LEU  HB2 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 485, 470, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  33 GLY  HN     32 LEU  HB3 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 485, 471, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  33 GLY  HN     32 LEU  QQD 4.5  
 &rst
  ixpk= 508, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 475, 476, 477, 479, 480, 481,
 &end
#
#  34 ILE  HN     33 GLY  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 492, 485, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  34 ILE  HN     32 LEU  HA  4.5  
 &rst
  ixpk= 508, nxpk= 0, iat= 492, 468, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  34 ILE  HN     35 PRO  HD3 3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 492, 513, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  34 ILE  HN     35 PRO  HD2 3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 492, 512, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  34 ILE  HN     34 ILE  QG2 4.5   
 &rst
  ixpk= 508, nxpk= 0, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 498, 499, 500,
 &end
#
#  34 ILE  QD1     90 PHE  QD  6.5  (#possspindif)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1= 505, 506, 507,
 igr2=1381,1389,
 &end
#
#  34 ILE  QD1     90 PHE  HZ  5.5
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 505, 506, 507,
 &end
#
#  34 ILE  QG2    98 TYR  QD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 498, 499, 500,
 igr2=1529,1538,
 &end
#
#  34 ILE  QG2    98 TYR  QE  5.0  (#)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 498, 499, 500,
 igr2=1531,1536,
 &end
#
#  34 ILE  HA     35 PRO  QD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 512, 513,
 &end
#
#  34 ILE  HA     37 LEU  HB2  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 494, 544, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  34 ILE  HA     37 LEU  HG  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 494, 547, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  34 ILE  HA     37 LEU  HB3 4.0  (#releasedfrom3.5to4.0on0927)
 &rst
  ixpk= 508, nxpk= 0, iat= 494, 545, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  34 ILE  HB     98 TYR  QE  6.5  (#FENOEpossspindif)
 &rst
  ixpk= 508, nxpk= 0, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2=1531,1536,
 &end
#
#  34 ILE  HA     38 VAL  HN  4.5  (#0822cnnoe)
 &rst
  ixpk= 508, nxpk= 0, iat= 494, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  35 PRO  QD     38 VAL  QG2  6.5     (#RELEASED NO STEREO)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1= 512, 513,
 igr2= 569, 570, 571,
 &end
#
#  35 PRO  QD     98 TYR  QE  5.5  (#cnnoe0822)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 512, 513,
 igr2=1531,1536,
 &end
#
#  35 PRO  QD     34 ILE  QG2  4.5  (#0602hmqcnoe)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 512, 513,
 igr2= 498, 499, 500,
 &end
#
#  35 PRO  HA     38 VAL  HB   3.5  (#0606hmqcnoe)
 &rst
  ixpk= 508, nxpk= 0, iat= 521, 563, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  35 PRO  HA     98 TYR  QE   5.0   (#cnnoe0822)
 &rst
  ixpk= 508, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1531,1536,
 &end
#
#  36 GLU- HN     37 LEU  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 525, 540, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  36 GLU- HN     33 GLY  QA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 487, 488,
 &end
#
#  36 GLU- HN     34 ILE  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 525, 494, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  36 GLU- HN     35 PRO  QD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 512, 513,
 &end
#
#  36 GLU- HN     37 LEU  HG  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 525, 547, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  37 LEU  HN     38 VAL  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 540, 559, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  37 LEU  HN     33 GLY  QA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 487, 488,
 &end
#
#  37 LEU  HN     34 ILE  HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 540, 494, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  37 LEU  HN     37 LEU  HG  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 540, 547, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  37 LEU  HN     37 LEU  QD1 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 549, 550, 551,
 &end
#
#  37 LEU  HN     37 LEU  QD2 5.0  (#RELEASED - NO STEREO)
 &rst
  ixpk= 508, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 553, 554, 555,
 &end
#
#  37 LEU  HA     40 GLN  QG  5.0  (#0822cnnoe)
 &rst
  ixpk= 508, nxpk= 0, iat= 542,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 596, 597,
 &end
#
#  38 VAL  HN     39 ASN  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 559, 575, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  38 VAL  HN     37 LEU  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 559, 540, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  38 VAL  HN     35 PRO  HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 559, 521, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  38 VAL  HN     37 LEU  HG  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 559, 547, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  38 VAL  QQG    98 TYR  QD  5.0 
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 565, 566, 567, 569, 570, 571,
 igr2=1529,1538,
 &end
#
#  38 VAL  QQG    98 TYR  QE  4.0 
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 565, 566, 567, 569, 570, 571,
 igr2=1531,1536,
 &end
#
#  38 VAL  HB     35 PRO  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 563, 521, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  38 VAL  QQG    34 ILE  QG2 4.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 565, 566, 567, 569, 570, 571,
 igr2= 498, 499, 500,
 &end
#
#  39 ASN  HN     38 VAL  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 575, 559, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  39 ASN  HN     36 GLU- HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 575, 527, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  40 GLN  HN     39 ASN  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 589, 575, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  40 GLN  HN     36 GLU- HA  4.5
 &rst
  ixpk= 508, nxpk= 0, iat= 589, 527, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  40 GLN  HN     38 VAL  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 589, 561, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  40 GLN  HN     40 GLN  QG  5.0  (#RELEASED - NO STEREO)
 &rst
  ixpk= 508, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 596, 597,
 &end
#
#  41 GLY  HN     40 GLN  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 606, 589, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  41 GLY  HN     40 GLN  QG  5.5  (#RELEASED - NO STEREO)
 &rst
  ixpk= 508, nxpk= 0, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 596, 597,
 &end
#
#  41 GLY  HN     37 LEU  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 606, 542, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  42 GLN  HN     42 GLN  QG  4.0
 &rst
  ixpk= 508, nxpk= 0, iat= 613,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 620, 621,
 &end
#
#  43 ALA  HN     44 LEU  HN  5.0  (#AMBIGUOUS)
 &rst
  ixpk= 508, nxpk= 0, iat= 630, 640, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  44 LEU  HN     44 LEU  HG  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 640, 647, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  44 LEU  HN     44 LEU  QD1 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 649, 650, 651,
 &end
#
#  44 LEU  HN     44 LEU  QD2 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 653, 654, 655,
 &end
#
#  12 GLN  HE22   13 LEU  QB  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 186, 187,
 &end
#
#  12 GLN  HE22   13 LEU  QD1 4.0
 &rst
  ixpk= 508, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 191, 192, 193,
 &end
#
#  12 GLN  HE22   13 LEU  QD2 4.0
 &rst
  ixpk= 508, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 195, 196, 197,
 &end
#
#  7 ARG+ HH22   7 ARG+ QB  4.0
 &rst
  ixpk= 508, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  85,  86,
 &end
#
#   51 SER  HA   52 ILE  HA  4.5
 &rst
  ixpk= 508, nxpk= 0, iat= 767, 778, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  52 ILE  HA   83 ASN  HA  5.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat= 778,1274, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  52 ILE  HA   53 SER  HA  5.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat= 778, 797, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  52 ILE  QD1   6 GLU- QG  5.0  (#fenoe0602)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 789, 790, 791,
 igr2=  73,  74,
 &end
#
#  55 SER  HN   56 ALA  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 820, 831, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  56 ALA  HN   55 SER  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 831, 820, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  56 ALA  HN   57 LEU  QB  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 845, 846,
 &end
#
#  56 ALA  HN   57 LEU  QD2 6.5  (#RELEASED NO STEREO)
 &rst
  ixpk= 508, nxpk= 0, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 854, 855, 856,
 &end
#
#  57 LEU  HN   58 GLN  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 841, 860, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  57 LEU  HN   54 PRO  HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 841, 816, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  57 LEU QD1    9 LEU  HB3 5.0  (#CNOE0520-noalternatives!-uniquepk)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 850, 851, 852,
 &end
#
#  57 LEU QD2    9 LEU  HB3 5.0  (#CNOE0520-noalternatives!-uniquepk)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 854, 855, 856,
 &end
#
#  57 LEU QD1    9 LEU  HB2 5.0  (#Cnoe0521)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 850, 851, 852,
 &end
#
#  57 LEU QD2    9 LEU  HB2 5.0  (#cnoe0521)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 854, 855, 856,
 &end
#
#  57 LEU QQD    9 LEU  QD1 5.0  (#fenoe0521)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 850, 851, 852, 854, 855, 856,
 igr2= 124, 125, 126,
 &end
#
#  57 LEU QQD    9 LEU  QD2 5.0  (#fenoe0521)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 850, 851, 852, 854, 855, 856,
 igr2= 128, 129, 130,
 &end
#
#  58 GLN  HN   57 LEU  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 860, 841, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  58 GLN  HN   55 SER  HA  3.5  (#0525cnoetight)
 &rst
  ixpk= 508, nxpk= 0, iat= 860, 822, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  58 GLN  HN   56 ALA  QB  6.0
 &rst
  ixpk= 508, nxpk= 0, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 835, 836, 837,
 &end
#
#  59 ASP- HN   60 LEU  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 877, 889, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  59 ASP- HN   61 LEU  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 877, 908, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  59 ASP- HN   56 ALA  HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 877, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  59 ASP- HB2  56 ALA  HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 881, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  59 ASP- HB3  56 ALA  HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 882, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  59 ASP- HN   58 GLN  HG2 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 877, 867, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  59 ASP- HN   58 GLN  HG3 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 877, 868, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  59 ASP- HN   56 ALA  QB  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 877,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 835, 836, 837,
 &end
#
#  59 ASP- HA   79 ILE  QD1 5.5  (#CNOE-0508WE'LL SEE!!)
 &rst
  ixpk= 508, nxpk= 0, iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1214,1215,1216,
 &end
#
#  59 ASP- QB   79 ILE  QD1 5.0  (#CNOE-0509(NO FENOE PK))
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 881, 882,
 igr2=1214,1215,1216,
 &end
#
#  60 LEU  HN   61 LEU  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 889, 908, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  60 LEU  HN   59 ASP-  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 889, 877, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  60 LEU  HN   56 ALA  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 889, 833, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  60 LEU  HN   57 LEU  HA  4.5   (#cnoetightnottoostrong4.5on0702)
 &rst
  ixpk= 508, nxpk= 0, iat= 889, 843, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  60 LEU  HA   63 THR  QG2 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 957, 958, 959,
 &end
#
#  60 LEU HB3   80 LEU  QQD 7.0  (#CNOE0508spindiff?releasedfrom5.0on0616)
 &rst
  ixpk= 508, nxpk= 0, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#  60 LEU HB3   79 ILE  QD1 5.0  (#CNOE0521)
 &rst
  ixpk= 508, nxpk= 0, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1214,1215,1216,
 &end
#
#  61 LEU  HN   60 LEU  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 908, 889, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  61 LEU  HN   62 ARG+ HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 908, 927, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  61 LEU QQD    9 LEU QB  5.0  (#spindiff??surepeak/sureassignment)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 917, 918, 919, 921, 922, 923,
 igr2= 119, 120,
 &end
#
#  61 LEU QQD   12 GLN  QG  5.0  (#FENOE0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 917, 918, 919, 921, 922, 923,
 igr2= 172, 173,
 &end
#
#  62 ARG+ HN   61 LEU  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 927, 908, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  62 ARG+ HN   63 THR  HN  2.8
 &rst
  ixpk= 508, nxpk= 0, iat= 927, 951, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  62 ARG+ HN   59 ASP- HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 927, 879, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  62 ARG+ HN   62 ARG+ HG3 4.2
 &rst
  ixpk= 508, nxpk= 0, iat= 927, 935, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  62 ARG+ HN   62 ARG+ HG2 4.2  
 &rst
  ixpk= 508, nxpk= 0, iat= 927, 934, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  62 ARG+ HN   61 LEU  QD1 5.0  (#RELEASED NOSTEREO)
 &rst
  ixpk= 508, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 917, 918, 919,
 &end
#
#  62 ARG+ HN   61 LEU  QD2 5.0  (#RELEASED NOSTEREO)
 &rst
  ixpk= 508, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 921, 922, 923,
 &end
#
#  63 THR  HN   64 LEU  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 951, 965, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  63 THR  HN   62 ARG+ HG2 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 951, 934, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  63 THR  HN   62 ARG+ HG3 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 951, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  63 THR  QG2  16 LEU  QQD 4.5  (#FENOE0531unsureof16assignmentreleasedfrom4.0to4.5on0705)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 957, 958, 959,
 igr2= 241, 242, 243, 245, 246, 247,
 &end
#
#  63 THR  QG2  17 LEU  QD1 5.0  (#FENOE0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 957, 958, 959,
 igr2= 260, 261, 262,
 &end
#
#  63 THR  QG2  17 LEU  QD2 5.0  (#FENOE0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 957, 958, 959,
 igr2= 264, 265, 266,
 &end
#
#  63 THR  QG2  76 VAL  HA  4.5  (#cnnoe!!0612)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 957, 958, 959,
 &end
#
#  63 THR  QG2  76 VAL  QG2 5.0  (#cnnoe!!0612)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 957, 958, 959,
 igr2=1162,1163,1164,
 &end
#
#  64 LEU  HN   63 THR  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 965, 951, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  64 LEU  HN   65 LYS+ HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 965, 984, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  64 LEU  HN   64 LEU QD1  5.0   (#RELEASED NOSTEREO)
 &rst
  ixpk= 508, nxpk= 0, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 974, 975, 976,
 &end
#
#  64 LEU  HN   64 LEU QD1  5.0  (#RELEASED NOSTEREO)
 &rst
  ixpk= 508, nxpk= 0, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 974, 975, 976,
 &end
#
#  64 LEU HB2   76 VAL QG2  6.5  (#CNOE0508spindiff?)
 &rst
  ixpk= 508, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1162,1163,1164,
 &end
#
#  64 LEU QD1   76 VAL QG2  5.0  (#CNOE0509)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 974, 975, 976,
 igr2=1162,1163,1164,
 &end
#
#  64 LEU QD1   90 PHE  QD  5.5  (#CNOE0509from5.0to5.5on0907spindiff?)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 974, 975, 976,
 igr2=1381,1389,
 &end
#
#  64 LEU QD1   90 PHE  QE  4.5  (#CNOE0509outto5.0on0526)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 974, 975, 976,
 igr2=1383,1387,
 &end
#
#  64 LEU QD2   76 VAL QG2  5.0  (#CNOE0509)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 978, 979, 980,
 igr2=1162,1163,1164,
 &end
#
#  64 LEU QD2   90 PHE  QD  5.0  (#CNOE0509andcnnoe)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 978, 979, 980,
 igr2=1381,1389,
 &end
#
#  64 LEU QD2   90 PHE  QE  4.5  (#medium0521(HZorHE?)andcnnoe)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 978, 979, 980,
 igr2=1383,1387,
 &end
#
#  64 LEU QQD   80 LEU QQD  5.5  (#CNOE0509 #NOEStoLEU233aretherbutwk0521)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 974, 975, 976, 978, 979, 980,
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#  64 LEU QQD   17 LEU HB3  5.0  (#fenoeDEFINITE!!0617)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 974, 975, 976, 978, 979, 980,
 &end
#
#  65 LYS+ HN   64 LEU  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 984, 965, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  65 LYS+ HN   65 LYS+ HG3 3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 984, 992, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  65 LYS+ HN   65 LYS+ HG2 4.0
 &rst
  ixpk= 508, nxpk= 0, iat= 984, 991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  65 LYS+ HN   64 LEU  QD1 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 974, 975, 976,
 &end
#
#  65 LYS+ HN   64 LEU  QD1 5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 974, 975, 976,
 &end
#
#  66 SER  HN   65 LYS+ HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1006, 984, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  66 SER  HN   63 THR  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1006, 953, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  69 SER  HN   68 SER  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1042,1031, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  69 SER  HA   70 PRO  HA  5.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=1044,1063, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 GLN  HN   72 GLN  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1067,1084, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 GLN  HN   70 PRO  HD3 5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1067,1055, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 GLN  HN   70 PRO  HD2 5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1067,1054, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 VAL  HN   77 LEU  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1152,1168, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  76 VAL  HN   75 GLN  HA  4.2
 &rst
  ixpk= 508, nxpk= 0, iat=1152,1137, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  76 VAL  HN   77 LEU  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1152,1170, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 VAL  QG1  90 PHE  QD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1158,1159,1160,
 igr2=1381,1389,
 &end
#
#  76 VAL  QG2  90 PHE  QE  6.0  (#ovlpHZ)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1162,1163,1164,
 igr2=1383,1387,
 &end
#
#  76 VAL  QG1  90 PHE  QE  6.5
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1=1158,1159,1160,
 igr2=1383,1387,
 &end
#
#  76 VAL  QG1  80 LEU  QQD 5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1158,1159,1160,
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#  76 VAL  QG1   17 LEU  QQD 6.0  (#FENOE0515Spindiff??0518)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1158,1159,1160,
 igr2= 260, 261, 262, 264, 265, 266,
 &end
#
#  76 VAL  QG2   28 ILE  QD1 3.5  (#FENOE0517)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1162,1163,1164,
 igr2= 414, 415, 416,
 &end
#
#  76 VAL  QG1   28 ILE  QD1 4.0  (#FENOE0517)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1158,1159,1160,
 igr2= 414, 415, 416,
 &end
#
#  76 VAL  QG2   28 ILE HG12 4.5  (#FENOE0517)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1162,1163,1164,
 &end
#
#  76 VAL  QG2   28 ILE HG13 4.5  (#FENOE0517)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1162,1163,1164,
 &end
#
#  76 VAL  QG1   28 ILE HG12 5.0  (#FENOE0517)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1158,1159,1160,
 &end
#
#  77 LEU  HN   76 VAL  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1168,1152, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  77 LEU  HN   78 ASN  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1168,1187, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77 LEU  HN   74 GLN  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1168,1120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77 LEU  HN   77 LEU  QD1 5.0  (#RELEASED NOSTEREO)
 &rst
  ixpk= 508, nxpk= 0, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1177,1178,1179,
 &end
#
#  77 LEU  HN   77 LEU  QD2 5.0  (#RELEASED NOSTEREO)
 &rst
  ixpk= 508, nxpk= 0, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1181,1182,1183,
 &end
#
#  77 LEU  HN   76 VAL  QG1 5.0  (#RELEASED NOSTEREO)
 &rst
  ixpk= 508, nxpk= 0, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1158,1159,1160,
 &end
#
#  77 LEU  QD1  80 LEU  QD1 5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1177,1178,1179,
 igr2=1229,1230,1231,
 &end
#
#  77 LEU  QQD  90 PHE  QD  5.0  (#spindiff?0512)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1177,1178,1179,1181,1182,1183,
 igr2=1381,1389,
 &end
#
#  77 LEU  QQD  90 PHE  QE  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1177,1178,1179,1181,1182,1183,
 igr2=1383,1387,
 &end
#
#  77 LEU  QD1  80 LEU  QD2 5.5  (#0530cnoeconfirmreleased0612)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1177,1178,1179,
 igr2=1233,1234,1235,
 &end
#
#  77 LEU  QD1  80 LEU  QD1 4.5  (#0530cnoeconfirm)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1177,1178,1179,
 igr2=1229,1230,1231,
 &end
#
#  77 LEU  QD2  80 LEU  QD2 4.5  (#0530cnoeconfirm)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1181,1182,1183,
 igr2=1233,1234,1235,
 &end
#
#  77 LEU  QD2  80 LEU  QD1 4.5  (#0530cnoeconfirm)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1181,1182,1183,
 igr2=1229,1230,1231,
 &end
#
#  77 LEU  QQD  32 LEU  QQD 3.5  (#0611fenoe)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1177,1178,1179,1181,1182,1183,
 igr2= 475, 476, 477, 479, 480, 481,
 &end
#
#  77 LEU  QQD  32 LEU  HA  5.0  (#0611fenoe)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 468, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1177,1178,1179,1181,1182,1183,
 &end
#
#  77 LEU  QQD  31 ALA  QB  3.5  (#0611fenoe)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1177,1178,1179,1181,1182,1183,
 igr2= 460, 461, 462,
 &end
#
#  78 ASN  HN   77 LEU  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1187,1168, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  78 ASN  HN   79 ILE  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1187,1201, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  78 ASN  HN   75 GLN  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1187,1137, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  78 ASN  HN   74 GLN  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1187,1120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  79 ILE  HN   81 LYS+ HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1201,1239, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  79 ILE  HN   80 LEU  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1201,1220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  79 ILE  HN   78 ASN  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1201,1187, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  79 ILE  HN   76 VAL  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1201,1154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  79 ILE  HN   79 ILE  QG2 4.0
 &rst
  ixpk= 508, nxpk= 0, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1207,1208,1209,
 &end
#
#  80 LEU  HN   81 LYS+ HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1220,1239, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  80 LEU  HN   79 ILE  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1220,1201, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  80 LEU  HN   77 LEU  HA  3.5   (#cnoetight0525)
 &rst
  ixpk= 508, nxpk= 0, iat=1220,1170, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  80 LEU  HN   79 ILE  QG2 4.0
 &rst
  ixpk= 508, nxpk= 0, iat=1220,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1207,1208,1209,
 &end
#
#  80 LEU  HN   79 ILE  QD1 5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1220,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1214,1215,1216,
 &end
#
#  80 LEU  QD1  90 PHE  QD  4.5
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1229,1230,1231,
 igr2=1381,1389,
 &end
#
#  80 LEU  QD2  90 PHE  QE  4.5
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1233,1234,1235,
 igr2=1383,1387,
 &end
#
#  80 LEU  QQD  76 VAL  QG2 5.0 
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1229,1230,1231,1233,1234,1235,
 igr2=1162,1163,1164,
 &end
#
#  81 LYS+ HN   80 LEU  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1239,1220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  81 LYS+ HN   78 ASN  HA  4.0  (#cnoetight0525)
 &rst
  ixpk= 508, nxpk= 0, iat=1239,1189, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  81 LYS+ HN   77 LEU  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1239,1170, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  81 LYS+ HN   80 LEU  QQD 5.5
 &rst
  ixpk= 508, nxpk= 0, iat=1239,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#  82 SER  HA   83 ASN  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1263,1274, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 SER  QB   83 ASN  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1265,1266,
 &end
#
#  82 SER  HA   83 ASN  HA  5.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=1263,1274, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 SER  HA   83 ASN  HB3 6.5  (#CNOEspindif0512)
 &rst
  ixpk= 508, nxpk= 0, iat=1263,1277, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  83 ASN  HN   84 PRO  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1272,1296, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  83 ASN  HN   84 PRO  QD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1272,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1287,1288,
 &end
#
#  83 ASN  QD2  84 PRO  HD2 4.5
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1281,1282,
 &end
#
#  83 ASN  QD2  84 PRO  HD3 5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1281,1282,
 &end
#
#  85 GLN  HN   86 LEU  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1300,1317, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  85 GLN  HN   84 PRO  QD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1287,1288,
 &end
#
#  86 LEU  HN   85 GLN  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1317,1300, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86 LEU  HN   87 MET  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1317,1336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  86 LEU  HN   88 ALA  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1317,1353, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86 LEU  HN   84 PRO  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1317,1296, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86 LEU  HN   83 ASN  HB3 6.5  (#possspindiff)
 &rst
  ixpk= 508, nxpk= 0, iat=1317,1277, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  86 LEU  HN   83 ASN  HB2 5.2
 &rst
  ixpk= 508, nxpk= 0, iat=1317,1276, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  86 LEU  HN   85 GLN  HG3 5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1317,1308, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86 LEU  HN   85 GLN  HG2 5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1317,1307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86 LEU  HN   80 LEU  QD2 6.5  (#RELEASED NOSTEREO)
 &rst
  ixpk= 508, nxpk= 0, iat=1317,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1233,1234,1235,
 &end
#
#  86 LEU QQD   90 PHE  QD  4.5  (#cnoe 0508)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1326,1327,1328,1330,1331,1332,
 igr2=1381,1389,
 &end
#
#  86 LEU QQD   90 PHE  QE  5.5  (#cnoe 0508releasedto5.5spindif?0615)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1326,1327,1328,1330,1331,1332,
 igr2=1383,1387,
 &end
#
#  86 LEU QQD   80 LEU  QD1 5.0  (#cnoe 0508spindiff?0510)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1326,1327,1328,1330,1331,1332,
 igr2=1229,1230,1231,
 &end
#
#  86 LEU QQD   80 LEU  QD2 5.0  (#cnoe 0508)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1326,1327,1328,1330,1331,1332,
 igr2=1233,1234,1235,
 &end
#
#  86 LEU QQD    16 LEU  QQD 4.3  (#fenoe 0508)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=1326,1327,1328,1330,1331,1332,
 igr2= 241, 242, 243, 245, 246, 247,
 &end
#
#  86 LEU QQD    16 LEU  HB2 6.0  (#fenoe 0508spindif?)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 236, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1326,1327,1328,1330,1331,1332,
 &end
#
#  86 LEU QQD    16 LEU  HB3 5.0  (#fenoe 0508)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1326,1327,1328,1330,1331,1332,
 &end
#
#  87 MET  HN   87 MET  QE  6.5  (#spindif??)
 &rst
  ixpk= 508, nxpk= 0, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1347,1348,1349,
 &end
#
#  87 MET  QE   90 PHE  QD  5.0  (#cnoe0510)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1347,1348,1349,
 igr2=1381,1389,
 &end
#
#  87 MET  QE   80 LEU  QD1 5.5  (#cnoeexpoutspindif?0510)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1347,1348,1349,
 igr2=1229,1230,1231,
 &end
#
#  87 MET  QE   90 PHE  QE  5.0  (#cnoe0510)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1347,1348,1349,
 igr2=1383,1387,
 &end
#
#  87 MET  QE   80 LEU  QD2 5.0  (#cnoe0510)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1347,1348,1349,
 igr2=1233,1234,1235,
 &end
#
#  87 MET  QE   91 ILE  QD1 4.0  (#CNOE0510)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1347,1348,1349,
 igr2=1406,1407,1408,
 &end
#
#  87 MET  QE   32 LEU  QQD 3.5  (#CNOE0501FENOE0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1347,1348,1349,
 igr2= 475, 476, 477, 479, 480, 481,
 &end
#
#  87 MET  QE   32 LEU   QB 5.0  (#FENOE0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1347,1348,1349,
 igr2= 470, 471,
 &end
#
#  88 ALA  HN   87 MET  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1353,1336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  88 ALA  HN   89 ALA  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1353,1363, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  88 ALA  HN   85 GLN  HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1353,1302, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  89 ALA  HN   88 ALA  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1363,1353, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  89 ALA  HN   90 PHE  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1363,1373, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  90 PHE  HN   91 ILE  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1373,1393, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  90 PHE  HN   89 ALA  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1373,1363, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  90 PHE  HN   87 MET  HA  3.5   (#cnoetight0525)
 &rst
  ixpk= 508, nxpk= 0, iat=1373,1338, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  90 PHE  HN   90 PHE  QD  4.5
 &rst
  ixpk= 508, nxpk= 0, iat=1373,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1381,1389,
 &end
#
#  90 PHE  HN   80 LEU  QD1 6.5  (#RELEASED NOSTEREO)
 &rst
  ixpk= 508, nxpk= 0, iat=1373,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1229,1230,1231,
 &end
#
#  90 PHE  HN   80 LEU  QD2 6.5  (#RELEASED NOSTEREO)
 &rst
  ixpk= 508, nxpk= 0, iat=1373,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1233,1234,1235,
 &end
#
#  90 PHE  QD   91 ILE  HA  5.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1381,1389,
 &end
#
#  90 PHE  QD   91 ILE  HG13 5.5  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1381,1389,
 &end
#
#  90 PHE  QD   76 VAL  QG1  5.0    (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1381,1389,
 igr2=1158,1159,1160,
 &end
#
#  90 PHE  QD   80 LEU  QD1  5.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1381,1389,
 igr2=1229,1230,1231,
 &end
#
#  90 PHE  QD   80 LEU  QD2  5.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1381,1389,
 igr2=1233,1234,1235,
 &end
#
#  90 PHE  QE   76 VAL  QQG  5.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1383,1387,
 igr2=1158,1159,1160,1162,1163,1164,
 &end
#
#  90 PHE  QE   80 LEU  QD2  6.5  (#CNOEpossspindiff)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1=1383,1387,
 igr2=1233,1234,1235,
 &end
#
#  90 PHE  QE   80 LEU  QD1  5.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1383,1387,
 igr2=1229,1230,1231,
 &end
#
#  90 PHE  HZ   80 LEU  QQD  5.5  (#CNOEpossspindiff)
 &rst
  ixpk= 508, nxpk= 0, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#  91 ILE  HN   90 PHE  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1393,1373, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  91 ILE  HN   92 LYS+ HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1393,1412, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  91 ILE  HN   88 ALA  HA  3.5   (#cnoe tight0525)
 &rst
  ixpk= 508, nxpk= 0, iat=1393,1355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  91 ILE  HN   91 ILE  QG1 5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1403,1404,
 &end
#
#  91 ILE  HN   91 ILE  QG2 5.0   (#outto5.0on0504)
 &rst
  ixpk= 508, nxpk= 0, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1399,1400,1401,
 &end
#
#  91 ILE QD1    34 ILE  QD1 5.0   (#FENOE0516)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1406,1407,1408,
 igr2= 505, 506, 507,
 &end
#
#  91 ILE QD1    32 LEU  QQD 3.5   (#FENOESTRONG0516)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1406,1407,1408,
 igr2= 475, 476, 477, 479, 480, 481,
 &end
#
#  91 ILE QG2    34 ILE  QD1 5.0  (#FENOE0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1399,1400,1401,
 igr2= 505, 506, 507,
 &end
#
#  91 ILE QG2    32 LEU  QQD 4.5
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1399,1400,1401,
 igr2= 475, 476, 477, 479, 480, 481,
 &end
#
#  91 ILE QD1    32 LEU  HA  4.5  (#FENOEandCNNOE0622)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 468, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1406,1407,1408,
 &end
#
#  91 ILE HG12   90 PHE  QD  4.5  (#0603cnnoetightened0622)
 &rst
  ixpk= 508, nxpk= 0, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1381,1389,
 &end
#
#  91 ILE HG12   88 ALA  HA  5.0  (#0603cnnoe)
 &rst
  ixpk= 508, nxpk= 0, iat=1403,1355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  91 ILE QD1    80 LEU  QD1 5.5  (#cnnoewkbutdefthere0622)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1406,1407,1408,
 igr2=1229,1230,1231,
 &end
#
#  91 ILE QD1    80 LEU  QD2 5.5  (#cnnoewkbutdefthere0622)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1406,1407,1408,
 igr2=1233,1234,1235,
 &end
#
#  91 ILE QD1    87 MET  QB  4.0  (#cnnoe0622)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1406,1407,1408,
 igr2=1340,1341,
 &end
#
#  92 LYS+ HN   91 ILE  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1412,1393, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  92 LYS+ HN   90 PHE  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1412,1373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  92 LYS+ HN   88 ALA  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1412,1355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  94 ARG+ HG2  90 PHE  QD  5.0  (#CNOE0508)
 &rst
  ixpk= 508, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1381,1389,
 &end
#
#  94 ARG+ HG2  90 PHE  QE  4.0  (#CNOE0508#tightened0621)
 &rst
  ixpk= 508, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1383,1387,
 &end
#
#  94 ARG+ HG3  90 PHE  QD  5.0  (#CNOE0508)
 &rst
  ixpk= 508, nxpk= 0, iat=1459,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1381,1389,
 &end
#
#  94 ARG+ HG3  90 PHE  QE  4.0  (#CNOE0508#tightened0621)
 &rst
  ixpk= 508, nxpk= 0, iat=1459,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1383,1387,
 &end
#
#  94 ARG+ HG3   34 ILE QG2  5.0  (#FENOE0508)
 &rst
  ixpk= 508, nxpk= 0, iat=1459,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 498, 499, 500,
 &end
#
#  94 ARG+  QG   34 ILE QD1  5.0  (#FENOE0508)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1458,1459,
 igr2= 505, 506, 507,
 &end
#
#  94 ARG+  QB   34 ILE QD1  4.5  (#FENOE0508)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1455,1456,
 igr2= 505, 506, 507,
 &end
#
#  94 ARG+  QB  98 TYR  QE  5.0  (#CNOE0508wkbutthere0621)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1455,1456,
 igr2=1531,1536,
 &end
#
#  94 ARG+  QD  90 PHE  QD  5.0  (#CNOE0508#tightened0621)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1461,1462,
 igr2=1381,1389,
 &end
#
#  94 ARG+  QD  90 PHE  QE  4.0  (#CNOE0508#tightened0621)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1461,1462,
 igr2=1383,1387,
 &end
#
#  94 ARG+  QD   34 ILE QG2  6.0  (#FENOE0508#spindif0527?)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1461,1462,
 igr2= 498, 499, 500,
 &end
#
#  94 ARG+  QD   34 ILE QD1  5.0  (#FENOE0516)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1461,1462,
 igr2= 505, 506, 507,
 &end
#
#  95 THR  HN   94 ARG+ HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1475,1451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  95 THR  HN   96 ALA  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1475,1489, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  95 THR  HN   95 THR  QG2 3.8
 &rst
  ixpk= 508, nxpk= 0, iat=1475,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=1481,1482,1483,
 &end
#
#  95 THR  HA   98 TYR  QD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1477,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1529,1538,
 &end
#
#  95 THR  HA   98 TYR  QE  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1477,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1531,1536,
 &end
#
#  95 THR  HB   98 TYR  QD  5.5   (#backin0616definitereleasedthoughto5.5from4.0on622spindif??)
 &rst
  ixpk= 508, nxpk= 0, iat=1479,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1529,1538,
 &end
#
#  95 THR QG2   34 ILE  QG2  4.5   (#FENOE0518ADDBACKIN0531   )
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1481,1482,1483,
 igr2= 498, 499, 500,
 &end
#
#  95 THR QG2    38 VAL  QQG  3.5   (#FENOE0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1481,1482,1483,
 igr2= 565, 566, 567, 569, 570, 571,
 &end
#
#  95 THR QG2    38 VAL   HB  4.5   (#FENOE0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1481,1482,1483,
 &end
#
#  96 ALA  HN   97 LYS+ HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1489,1499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  96 ALA  HN   95 THR  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1489,1475, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  96 ALA  HN   94 ARG+ HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1489,1453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  96 ALA  HN   95 THR  QG2 5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1489,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1481,1482,1483,
 &end
#
#  96 ALA  HA   99 VAL  HB  5.0  (#released-shouldbe3.5,butbadEpenalty0616  )
 &rst
  ixpk= 508, nxpk= 0, iat=1491,1546, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  97 LYS+ HN   96 ALA  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1499,1489, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  97 LYS+ HN   98 TYR  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1499,1521, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  97 LYS+ HN   95 THR  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1499,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  97 LYS+ HB3  98 TYR  QE  6.5  (#0508CNOEspindiff?)
 &rst
  ixpk= 508, nxpk= 0, iat=1504,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2=1531,1536,
 &end
#
#  97 LYS+ HB3  98 TYR  QD  6.5  (#0508CNOESPINDIFF?)
 &rst
  ixpk= 508, nxpk= 0, iat=1504,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2=1529,1538,
 &end
#
#  97 LYS+ HG2  98 TYR  QD  5.0   (#0509CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1529,1538,
 &end
#
#  97 LYS+ HG3  98 TYR  QE  5.0   (#0509CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1531,1536,
 &end
#
#  97 LYS+ HG2  98 TYR  QD  5.0   (#0509CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=1506,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1529,1538,
 &end
#
#  97 LYS+ HG3  98 TYR  QE  5.0   (#0509CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1531,1536,
 &end
#
#  98 TYR  HN   97 LYS+ HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1521,1499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  98 TYR  HN   95 THR  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1521,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  98 TYR  HN   96 ALA  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1521,1491, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  98 TYR  HN   98 TYR  QD  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1521,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1529,1538,
 &end
#
#  98 TYR  QB    38 VAL  HB  5.0  (#FENOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1525,1526,
 &end
#
#  98 TYR  QB    38 VAL  QQG 4.0  (#FENOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1525,1526,
 igr2= 565, 566, 567, 569, 570, 571,
 &end
#
#  98 TYR  QB    34 ILE  QG2 5.0  (#FENOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1525,1526,
 igr2= 498, 499, 500,
 &end
#
#  98 TYR  QB    34 ILE  HB  6.0  (#FENOE  releasedspindiff??0615released5.5to6.0on1016)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1525,1526,
 &end
#
#  98 TYR  QE    29 ASP-  HA  6.0  (#FENOEposssdiffcut0504ADDED0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1531,1536,
 &end
#
#  98 TYR  QE    34 ILE  HA  5.0  (#FENOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1531,1536,
 &end
#
#  98 TYR  QD    34 ILE  HA  5.5  (#FENOE #spindiff0515?)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1529,1538,
 &end
#
#  98 TYR  QD    95 THR  HA  4.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1529,1538,
 &end
#
#  98 TYR  QE    95 THR  QG2 5.0  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1531,1536,
 igr2=1481,1482,1483,
 &end
#
#  98 TYR  QD    99 VAL  QQG 4.5  (#CNOE)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1529,1538,
 igr2=1548,1549,1550,1552,1553,1554,
 &end
#
#  98 TYR  QD    95 THR  HB  6.0  (#CNOE spindiff?)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1529,1538,
 &end
#
#  99 VAL  HN   100 ALA  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1542,1558, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  99 VAL  HN   98 TYR  QD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1542,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1529,1538,
 &end
#
#  99 VAL  HN   96 ALA  HA  5.0  (#releasedbigtimefrom3.5on0619)
 &rst
  ixpk= 508, nxpk= 0, iat=1542,1491, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  99 VAL  HN   95 THR  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1542,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  99 VAL QQG   38 VAL  HB  5.0   (#FENOE-ADDED0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1548,1549,1550,1552,1553,1554,
 &end
#
#  99 VAL QQG   38 VAL  HA  5.0   (#FENOE-0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1548,1549,1550,1552,1553,1554,
 &end
#
#  99 VAL QG1   38 VAL QQG  3.5   (#FENOE-0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1548,1549,1550,
 igr2= 565, 566, 567, 569, 570, 571,
 &end
#
#  99 VAL QG2   38 VAL QQG  4.0   (#FENOE-0531)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1552,1553,1554,
 igr2= 565, 566, 567, 569, 570, 571,
 &end
#
#  99 VAL QQG   38 VAL  HA  5.0   (#FENOE-0615)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 561, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1548,1549,1550,1552,1553,1554,
 &end
#
#  99 VAL QQG   38 VAL  HB  4.2   (#FENOE-0615-releasedfrom4.0to4.2on0924)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1548,1549,1550,1552,1553,1554,
 &end
#
#  99 VAL QG1   98 TYR  QD  5.0   (#CNOE-0615)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1548,1549,1550,
 igr2=1529,1538,
 &end
#
#  99 VAL QG2   98 TYR  QD  6.0   (#CNOE-0615spindif??released0615)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1552,1553,1554,
 igr2=1529,1538,
 &end
#
#  100 ALA  HN   99 VAL  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1558,1542, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  100 ALA  HN   96 ALA  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1558,1491, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  101 ASN  HN   100 ALA  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1568,1558, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  101 ASN  HN    99 VAL  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1568,1544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 GLN  HN   100 ALA  HA  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1582,1560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 GLN  HN   100 ALA  QB  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1562,1563,1564,
 &end
#
#  102 GLN  QG   98 TYR  QD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1589,1590,
 igr2=1529,1538,
 &end
#
#  102 GLN  QG   98 TYR  QE  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1589,1590,
 igr2=1531,1536,
 &end
#
#   90 PHE   HN   80 LEU  QQD  6.5  (#spindif??)
 &rst
  ixpk= 508, nxpk= 0, iat=1373,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#   76 VAL   HA   78 ASN   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1154,1187, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL   HA   80 LEU   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1154,1220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL   HA   79 ILE   HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1154,1201, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 THR   HA   66 SER   HN  4.0
 &rst
  ixpk= 508, nxpk= 0, iat= 953,1006, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 THR   HA   98 TYR   HN  4.5
 &rst
  ixpk= 508, nxpk= 0, iat=1477,1521, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 ILE   HA   90 PHE   QE  5.5  (#spindif?)
 &rst
  ixpk= 508, nxpk= 0, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1383,1387,
 &end
#
#   91 ILE   HA   94 ARG+  HN  4.0
 &rst
  ixpk= 508, nxpk= 0, iat=1395,1451, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 PRO   HA   87 MET   HN  4.0
 &rst
  ixpk= 508, nxpk= 0, iat=1296,1336, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 PRO   HA   86 LEU   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1296,1317, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 ILE   HA   82 SER   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1203,1261, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 PHE   HA   94 ARG+  HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1375,1451, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 ILE   HA   49 ASN   HA  4.5 
 &rst
  ixpk= 508, nxpk= 0, iat= 778, 729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87 MET   HA   91 ILE   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1338,1393, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 LYS+  HA   83 ASN   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1241,1272, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 LEU   HA   79 ILE   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1170,1201, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   80 LEU   HA   83 ASN   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1222,1272, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 LEU   HA   61 LEU   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 843, 908, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 LEU   HA   63 THR   HN  4.0
 &rst
  ixpk= 508, nxpk= 0, iat= 891, 951, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 LYS+  HA  100 ALA   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1501,1558, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   86 LEU   HA   89 ALA   HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1319,1363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   86 LEU   HA   90 PHE   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1319,1373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 SER   HA   71 GLN   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1044,1067, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   78 ASN   HA   80 LEU   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1189,1220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 ARG+  HA   97 LYS+  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1453,1499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   88 ALA   HA   90 PHE   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1355,1373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 ALA   HA   92 LYS+  HN  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1365,1412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   89 ALA   HA   93 GLN   HN  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1365,1434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 LEU   HA   80 LEU  QQD  4.5
 &rst
  ixpk= 508, nxpk= 0, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#   63 THR   HB   79 ILE  QD1  4.5
 &rst
  ixpk= 508, nxpk= 0, iat= 955,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1214,1215,1216,
 &end
#
#   63 THR   HB   79 ILE   HB  5.0
 &rst
  ixpk= 508, nxpk= 0, iat= 955,1205, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 PRO  HB2   83 ASN   HA  6.5  (#spindif?0526)
 &rst
  ixpk= 508, nxpk= 0, iat=1293,1274, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#   84 PRO  HB3   83 ASN   HA  5.5
 &rst
  ixpk= 508, nxpk= 0, iat=1294,1274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 LYS+ HB2   62 ARG+  HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 988, 929, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 LYS+ HB3   62 ARG+  HA  3.5
 &rst
  ixpk= 508, nxpk= 0, iat= 989, 929, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   94 ARG+  HE   98 TYR   QE  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1531,1536,
 &end
#
#   94 ARG+  HE   34 ILE  QG2  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 498, 499, 500,
 &end
#
#   64 LEU  HB2   61 LEU   HA  4.5
 &rst
  ixpk= 508, nxpk= 0, iat= 969, 910, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 LEU  HB3   61 LEU   HA  4.5
 &rst
  ixpk= 508, nxpk= 0, iat= 970, 910, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97 LYS+ HD2   93 GLN   QE  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1509,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1446,1447,
 &end
#
#   97 LYS+ HD3   93 GLN   QE  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1510,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1446,1447,
 &end
#
#   87 MET  HG2   80 LEU  QQD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1343,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#   87 MET  HG3   80 LEU  QQD  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1229,1230,1231,1233,1234,1235,
 &end
#
#   87 MET  HG2   86 LEU  QQD  5.0  (#released0527)
 &rst
  ixpk= 508, nxpk= 0, iat=1343,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1326,1327,1328,1330,1331,1332,
 &end
#
#   87 MET  HG3   86 LEU  QQD  6.5  (#spindif?)
 &rst
  ixpk= 508, nxpk= 0, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr2=1326,1327,1328,1330,1331,1332,
 &end
#
#   94 ARG+ HB2    98 TYR  QE   5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1455,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1531,1536,
 &end
#
#   94 ARG+ HB2    94 ARG+ HE   4.5
 &rst
  ixpk= 508, nxpk= 0, iat=1455,1464, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   94 ARG+ HB2    34 ILE  QG2  4.5
 &rst
  ixpk= 508, nxpk= 0, iat=1455,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 498, 499, 500,
 &end
#
#   94 ARG+ HB3    34 ILE  QD1  4.0
 &rst
  ixpk= 508, nxpk= 0, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 505, 506, 507,
 &end
#
#   94 ARG+ HB3    34 ILE  QG2  4.5
 &rst
  ixpk= 508, nxpk= 0, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 498, 499, 500,
 &end
#
#   91 ILE  QG1    90 PHE  QD   5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1403,1404,
 igr2=1381,1389,
 &end
#
#   75 GLN  HA     78 ASN  HB2  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1137,1191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 GLN  HA     78 ASN  HB3  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1137,1192, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   94 ARG+ HE     98 TYR  HD   5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1529,1538,
 &end
#
#   94 ARG+ HE     98 TYR  HE   4.0
 &rst
  ixpk= 508, nxpk= 0, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1531,1536,
 &end
#
#   94 ARG+ HE     94 ARG+ HA   4.5  (#added0622)
 &rst
  ixpk= 508, nxpk= 0, iat=1464,1453, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 GLN  HA     79 ILE  QD1  4.5
 &rst
  ixpk= 508, nxpk= 0, iat=1137,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1214,1215,1216,
 &end
#
#   75 GLN  HA     63 THR  QG2  4.5
 &rst
  ixpk= 508, nxpk= 0, iat=1137,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 957, 958, 959,
 &end
#
#   75 GLN  HA     76 VAL  HA   5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1137,1154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   85 GLN  HA     88 ALA  QB   3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1357,1358,1359,
 &end
#
#   79 ILE  QG1    76 VAL  HA   5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1211,1212,
 &end
#
#   75 GLN  QB     79 ILE  QD1  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1139,1140,
 igr2=1214,1215,1216,
 &end
#
#   75 GLN  QB     63 THR  QG2  4.0   (#releasedfrom3.5to4.0on0927)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1139,1140,
 igr2= 957, 958, 959,
 &end
#
#   75 GLN  QB     76 VAL  QG1  6.0    (#released0702)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1139,1140,
 igr2=1158,1159,1160,
 &end
#
#   86 LEU  QQD    80 LEU  HA   5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1326,1327,1328,1330,1331,1332,
 &end
#
#   81 LYS+ HD2    78 ASN  HA   5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1249,1189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 LYS+ HD3    78 ASN  HA   5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1250,1189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 LEU  QQD    54 PRO  HA   5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 850, 851, 852, 854, 855, 856,
 &end
#
#   80 LEU  HG     76 VAL  QG2  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1162,1163,1164,
 &end
#
#   80 LEU  QD1    90 PHE  HB2  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1229,1230,1231,
 &end
#
#   80 LEU  QD1    90 PHE  HB3  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1229,1230,1231,
 &end
#
#   80 LEU  QD2    90 PHE  HB2  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1233,1234,1235,
 &end
#
#   80 LEU  QD2    90 PHE  HB3  5.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1233,1234,1235,
 &end
#
#   80 LEU  QD1    77 LEU  HA   4.5
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1229,1230,1231,
 &end
#
#   80 LEU  QD2    77 LEU  HA   4.5
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1233,1234,1235,
 &end
#
#   63 THR  QG2    75 GLN  HE21 4.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 957, 958, 959,
 &end
#
#   63 THR  QG2    75 GLN  HE22 4.0
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 957, 958, 959,
 &end
#
#   64 LEU  QQD    75 GLN  HE22 4.0  (#-recipnoesthere)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 974, 975, 976, 978, 979, 980,
 &end
#
#   64 LEU  QQD    75 GLN  HE21 4.0  (#-recipnoesthere)
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 974, 975, 976, 978, 979, 980,
 &end
#
#   76 VAL  QG1    75 GLN  HE21 4.5
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1158,1159,1160,
 &end
#
#   76 VAL  QG1    75 GLN  HE22 4.5
 &rst
  ixpk= 508, nxpk= 0, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1158,1159,1160,
 &end
#
#   75 GLN  HG2    63 THR  QG2  4.5  (#outfrom4.0to4.5on0912)
 &rst
  ixpk= 508, nxpk= 0, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 957, 958, 959,
 &end
#
#   75 GLN  HG3    63 THR  QG2  3.5
 &rst
  ixpk= 508, nxpk= 0, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 957, 958, 959,
 &end
#
#    0 AMB  21-2:0        0 AMB  21-1:0      6.50    (#      0:21  Double Ambigpossspindif0611&616outto6.5)
 &rst
  ixpk= 0, nxpk= 21, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2=1529,1538,
 &end
#
#    0 AMB  21-2:1        0 AMB  21-1:1      5.50    (#      1:21  Double Ambig)
 &rst
  ixpk= 1, nxpk= 21, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1529,1538,
 &end
#
#    0 AMB  21-2:2        0 AMB  21-1:2      5.50    (#      2:21  Double Ambig)
 &rst
  ixpk= 2, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1=  70, 516, 258,   8, 122, 533, 563,
 igr2=1529,1538,
 &end
#
#    0 AMB  21-2:3        0 AMB  21-1:3      5.50    (#      3:21  Double Ambig)
 &rst
  ixpk= 3, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 496,  89,  88, 139, 516, 359, 258, 122, 411,
 igr2=1529,1538,
 &end
#
#    0 AMB  21-2:4        0 AMB  21-1:4      5.50    (#      4:21  Double Ambig)
 &rst
  ixpk= 4, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 516, 258, 122, 141, 325, 326, 327,
 igr2=1529,1538,
 &end
#
#    0 AMB  21-2:5        0 AMB  21-1:5      4.50    (#      5:21  Double Ambig)
 &rst
  ixpk= 5, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 igr2=1529,1538,
 &end
#
#    0 AMB  21-2:6        0 AMB  21-1:6      5.50    (#      6:21  Double Ambig)
 &rst
  ixpk= 6, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 264, 265, 266, 498, 499, 500,
 igr2=1529,1538,
 &end
#
#    0 AMB  21-2:7        0 AMB  21-1:7      5.50    (#      7:21  Double Ambig)
 &rst
  ixpk= 7, nxpk= 21, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1381,1389,
 &end
#
#    0 AMB  21-2:8        0 AMB  21-1:8      5.50    (#      8:21  Double Ambig)
 &rst
  ixpk= 8, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 255, 138, 516, 544, 258, 122, 236, 356,
 igr2=1381,1389,
 &end
#
#    0 AMB  21-2:9        0 AMB  21-1:9      5.50    (#      9:21  Double Ambig)
 &rst
  ixpk= 9, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 516, 239, 258, 122, 440, 471, 357, 189,
 igr2=1381,1389,
 &end
#
#    0 AMB  21-2:10       0 AMB  21-1:10     4.50    (#     10:21  Double Ambig)
 &rst
  ixpk= 10, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 260, 261, 262,
 igr2=1381,1389,
 &end
#
#    0 AMB  21-2:11       0 AMB  21-1:11     4.50    (#     11:21  Double Ambig)
 &rst
  ixpk= 11, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 241, 242, 243, 365, 366, 367, 258, 414, 415, 416,
       122, 569, 570, 571,
 igr2=1381,1389,
 &end
#
#    0 AMB  21-2:12       0 AMB  21-1:12     4.50    (#     12:21  Double Ambig)
 &rst
  ixpk= 12, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 479, 480, 481, 128, 129, 130, 143, 144, 145,
 igr2=1381,1389,
 &end
#
#    0 AMB  21-2:13       0 AMB  21-1:13     5.50    (#     13:21  Double Ambig)
 &rst
  ixpk= 13, nxpk= 21, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1381,1389,
 &end
#
#    0 AMB  21-2:14       0 AMB  21-1:14     5.50    (#     14:21  Double Ambig)
 &rst
  ixpk= 14, nxpk= 21, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1383,1387,
 &end
#
#    0 AMB  21-2:15       0 AMB  21-1:15     5.50    (#     15:21  Double Ambig)
 &rst
  ixpk= 15, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 323, 468, 422, 297,
 igr2=1383,1387,
 &end
#
#    0 AMB  21-2:16       0 AMB  21-1:16     5.50    (#     16:21  Double Ambig)
 &rst
  ixpk= 16, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 516, 375, 405, 390,
 igr2=1383,1387,
 &end
#
#    0 AMB  21-2:17       0 AMB  21-1:17     5.50    (#     17:21  Double Ambig)
 &rst
  ixpk= 17, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 255, 516, 544, 258, 122, 356,
 igr2=1383,1387,
 &end
#
#    0 AMB  21-2:18       0 AMB  21-1:18     5.50    (#     18:21  Double Ambig)
 &rst
  ixpk= 18, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 496, 516, 239, 258, 122,
 igr2=1383,1387,
 &end
#
#    0 AMB  21-2:19       0 AMB  21-1:19     4.50    (#     19:21  Double Ambig)
 &rst
  ixpk= 19, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 241, 242, 243, 365, 366, 367, 258, 414, 415, 416,
       122, 569, 570, 571,
 igr2=1383,1387,
 &end
#
#    0 AMB  21-2:20       0 AMB  21-1:20     3.50    (#     20:21  Double Ambig)
 &rst
  ixpk= 20, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 260, 261, 262,
 igr2=1383,1387,
 &end
#
#    0 AMB  21-2:21       0 AMB  21-1:21     4.50    (#     21:21  Double Ambig)
 &rst
  ixpk= 21, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 475, 476, 477, 479, 480, 481, 128, 129, 130, 407,
       408, 409,
 igr2=1383,1387,
 &end
#
#    0 AMB  21-2:22      90 PHE  HZ          5.50    (#     22:21  Single Ambig)
 &rst
  ixpk= 22, nxpk= 21, iat= 354,1385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  21-2:23      90 PHE  HZ          5.50    (#     23:21  Single Ambig)
 &rst
  ixpk= 23, nxpk= 21, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 516, 405,
 &end
#
#    0 AMB  21-2:24      90 PHE  HZ          6.00    (#     24:21  Single Ambig)
 &rst
  ixpk= 24, nxpk= 21, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 255, 516, 258, 122, 356,
 &end
#
#    0 AMB  21-2:25      90 PHE  HZ          5.50    (#     25:21  Single Ambig)
 &rst
  ixpk= 25, nxpk= 21, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 496,  89,  88, 139, 516, 359, 258, 122, 411,
 &end
#
#    0 AMB  21-2:26      90 PHE  HZ          4.50    (#     26:21  Single Ambig)
 &rst
  ixpk= 26, nxpk= 21, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 241, 242, 243, 258, 414, 415, 416, 122, 569, 570,
       571,
 &end
#
#    0 AMB  21-2:27      90 PHE  HZ          4.50    (#     27:21  Single Ambig)
 &rst
  ixpk= 27, nxpk= 21, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 264, 265, 266, 260, 261, 262,
 &end
#
#    0 AMB  21-2:28      90 PHE  HZ          4.50    (#     28:21  Single Ambig)
 &rst
  ixpk= 28, nxpk= 21, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 475, 476, 477, 479, 480, 481, 128, 129, 130, 407,
       408, 409,
 &end
#
#    0 AMB  21-2:31       0 AMB  21-1:31     5.50    (#     31:21  Double Ambig)
 &rst
  ixpk= 31, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 323, 591, 468, 335, 422, 632, 297,
 igr2=1531,1536,
 &end
#
#    0 AMB  21-2:32       0 AMB  21-1:32     5.50    (#     32:21  Double Ambig)
 &rst
  ixpk= 32, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 494,  21,
 igr2=1531,1536,
 &end
#
#    0 AMB  21-2:36       0 AMB  21-1:36     5.50    (#     36:21  Double Ambig)
 &rst
  ixpk= 36, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 169, 516,  34,  33, 173, 379, 378, 378, 621, 620,
      
 igr2=1531,1536,
 &end
#
#    0 AMB  21-2:37       0 AMB  21-1:37     5.50    (#     37:21  Double Ambig)
 &rst
  ixpk= 37, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 516, 375, 390, 533,
 igr2=1531,1536,
 &end
#
#    0 AMB  21-2:38       0 AMB  21-1:38     5.50    (#     38:21  Double Ambig)
 &rst
  ixpk= 38, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1=  71, 119, 518, 516, 258, 594, 122, 437, 436,  86,
      
 igr2=1531,1536,
 &end
#
#    0 AMB  21-2:39       0 AMB  21-1:39     5.50    (#     39:21  Double Ambig)
 &rst
  ixpk= 39, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 496,  89,  88, 139, 516, 239, 359, 258, 122, 411,
      
 igr2=1531,1536,
 &end
#
#    0 AMB  21-2:40       0 AMB  21-1:40     5.50    (#     40:21  Double Ambig)
 &rst
  ixpk= 40, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 516, 258, 122, 327, 326, 327,
 igr2=1531,1536,
 &end
#
#    0 AMB  21-2:41       0 AMB  21-1:41     5.50    (#     41:21  Double Ambig)
 &rst
  ixpk= 41, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.17, r4=10.67,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 igr2=1531,1536,
 &end
#
#    0 AMB  21-2:42       0 AMB  21-1:42     5.50    (#     42:21  Double Ambig)
 &rst
  ixpk= 42, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 264, 265, 266, 498, 499, 500,
 igr2=1531,1536,
 &end
#
#    0 AMB  21-2:48      51 SER  HA          5.50    (#     48:21  Single Ambig)
 &rst
  ixpk= 48, nxpk= 21, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 553,
       554, 555, 191, 192, 193,
 &end
#
#    0 AMB  21-2:52      86 LEU  HA          5.50    (#     52:21  Single Ambig)
 &rst
  ixpk= 52, nxpk= 21, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
 igr1= 241, 242, 243, 124, 125, 126, 143, 144, 145, 414,
       415, 416, 549, 550, 551, 553, 554, 555, 191, 192,
       193,
 &end
#
#    0 AMB  21-2:54      95 THR  HB          4.50    (#     54:21  Single Ambig)
 &rst
  ixpk= 54, nxpk= 21, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553,
       554, 555, 569, 570, 571, 191, 192, 193,
 &end
#
#    0 AMB  21-2:55      95 THR  HB          5.50    (#     55:21  Single Ambig)
 &rst
  ixpk= 55, nxpk= 21, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 264, 265, 266, 498, 499, 500,
 &end
#
#    0 AMB  21-2:59      63 THR  HB          5.50    (#     59:21  Single Ambig)
 &rst
  ixpk= 59, nxpk= 21, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553,
       554, 555, 569, 570, 571, 191, 192, 193,
 &end
#
#    0 AMB  21-2:60      63 THR  HB          5.50    (#     60:21  Single Ambig)
 &rst
  ixpk= 60, nxpk= 21, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 260, 261, 262,
 &end
#
#    0 AMB  21-2:62      89 ALA  HA          5.00    (#     62:21  Single Ambigmisassigned!!->0614Ala42/89)
 &rst
  ixpk= 62, nxpk= 21, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 124, 125, 126, 143, 144, 145, 191, 192, 193,
 &end
#
#    0 AMB  21-2:64      96 ALA  HA          5.50    (#     64:21  Single Ambig)
 &rst
  ixpk= 64, nxpk= 21, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 649, 650, 651, 653, 654, 655,
 &end
#
#    0 AMB  21-2:69      97 LYS  HA          5.50    (#     69:21  Single Ambig)
 &rst
  ixpk= 69, nxpk= 21, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 591, 468, 422, 632, 297,
 &end
#
#    0 AMB  21-2:70      97 LYS  HA          5.50    (#     70:21  Single Ambig)
 &rst
  ixpk= 70, nxpk= 21, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 301, 302, 303, 224, 225, 226,
 &end
#
#    0 AMB  21-2:73      94 ARG  HA          5.50    (#     73:21  Single Ambig)
 &rst
  ixpk= 73, nxpk= 21, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 245, 246, 247, 365, 366, 367, 258, 122,
 &end
#
#    0 AMB  21-2:74      94 ARG  HA          5.50    (#     74:21  Single Ambig)
 &rst
  ixpk= 74, nxpk= 21, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 264, 265, 266, 498, 499, 500,
 &end
#
#    0 AMB  21-2:81      60 LEU  HA          5.50    (#     81:21  Single Ambig)
 &rst
  ixpk= 81, nxpk= 21, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 241, 242, 243, 124, 125, 126, 143, 144, 145, 414,
       415, 416, 553, 554, 555, 191, 192, 193,
 &end
#
#    0 AMB  21-2:83      64 LEU  HA          5.50    (#     83:21  Single Ambig)
 &rst
  ixpk= 83, nxpk= 21, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 241, 242, 243, 258, 414, 415, 416, 122, 553, 554,
       555, 569, 570, 571,
 &end
#
#    0 AMB  21-2:85      54 PRO  HA          4.50    (#     85:21  Single Ambig)
 &rst
  ixpk= 85, nxpk= 21, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 553,
       554, 555, 191, 192, 193,
 &end
#
#    0 AMB  21-2:86      57 LEU  HA          5.50    (#     86:21  Single Ambig)
 &rst
  ixpk= 86, nxpk= 21, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191,
       192, 193,
 &end
#
#    0 AMB  21-2:87       0 AMB  21-1:87     5.50    (#     87:21  Double Ambig)
 &rst
  ixpk= 87, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 333, 591, 468, 333, 335, 422, 272, 297,   6,
 igr2= 800,1035,
 &end
#
#    0 AMB  21-2:89       0 AMB  21-1:89     5.50    (#     89:21  Double Ambig)
 &rst
  ixpk= 89, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553,
       554, 555, 569, 570, 571, 191, 192, 193,
 igr2= 800,1035,
 &end
#
#    0 AMB  21-2:90       0 AMB  21-1:90     5.50    (#     90:21  Double Ambig)
 &rst
  ixpk= 90, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
 igr1= 496,  89,  88, 519, 139, 516, 359, 258, 122, 411,
       237,
 igr2=1222, 910,
 &end
#
#    0 AMB  21-2:91       0 AMB  21-1:91     4.50    (#     91:21  Double Ambig)
 &rst
  ixpk= 91, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 igr2=1222, 910,
 &end
#
#    0 AMB  21-2:92       0 AMB  21-1:92     5.50    (#     92:21  Double Ambig)
 &rst
  ixpk= 92, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 475, 476, 477, 479, 480, 481, 128, 129, 130, 407,
       408, 409,
 igr2=1222, 910,
 &end
#
#    0 AMB  21-2:94       0 AMB  21-1:94     5.50    (#     94:21  Double Ambig)
 &rst
  ixpk= 94, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 516,  34,  33, 379, 378, 596, 532, 621, 620,
 igr2= 770, 769,
 &end
#
#    0 AMB  21-2:95       0 AMB  21-1:95     5.50    (#     95:21  Double Ambig)
 &rst
  ixpk= 95, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=  73, 516, 597,  12,  11, 667, 666, 617,
 igr2= 770, 769,
 &end
#
#    0 AMB  21-2:96       0 AMB  21-1:96     5.50    (#     96:21  Double Ambig)
 &rst
  ixpk= 96, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 241, 242, 243, 124, 125, 126, 143, 144, 145, 414,
       415, 416, 553, 554, 555, 191, 192, 193,
 igr2= 770, 769,
 &end
#
#    0 AMB  21-2:97      95 THR  HA          5.50    (#     97:21  Single Ambig)
 &rst
  ixpk= 97, nxpk= 21, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 264, 265, 266, 498, 499, 500,
 &end
#
#    0 AMB  21-2:98      95 THR  HA          5.50    (#     98:21  Single Ambig)
 &rst
  ixpk= 98, nxpk= 21, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 &end
#
#    0 AMB  21-2:99      90 PHE  HA          5.50    (#     99:21  Single Ambig)
 &rst
  ixpk= 99, nxpk= 21, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 255, 692, 138, 516, 258, 530, 122, 236, 356,
 &end
#
#    0 AMB  21-2:100     90 PHE  HA          6.00    (#    100:21  Single Ambig #releasedto6.0on0615)
 &rst
  ixpk= 100, nxpk= 21, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191,
       192, 193,
 &end
#
#    0 AMB  21-2:101     90 PHE  HA          5.50    (#    101:21  Single Ambig)
 &rst
  ixpk= 101, nxpk= 21, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 264, 265, 266, 498, 499, 500,
 &end
#
#    0 AMB  21-2:102     68 SER  HB3         5.50    (#    102:21  Single Ambig)
 &rst
  ixpk= 102, nxpk= 21, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 323, 591, 468, 335, 422, 632, 272, 297,   6,
 &end
#
#    0 AMB  21-2:104     68 SER  HB3         5.50    (#    104:21  Single Ambig)
 &rst
  ixpk= 104, nxpk= 21, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 337, 338, 339, 516, 301, 302, 303, 258, 122, 224,
       225, 226,
 &end
#
#    0 AMB  21-2:106     77 LEU  HA          5.50    (#    106:21  Single Ambig)
 &rst
  ixpk= 106, nxpk= 21, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 473, 516, 545, 258, 122, 547, 462, 461, 462,
 &end
#
#    0 AMB  21-2:107     77 LEU  HA          5.50    (#    107:21  Single Ambig)
 &rst
  ixpk= 107, nxpk= 21, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 241, 242, 243, 258, 414, 415, 416, 122, 553, 554,
       555, 569, 570, 571,
 &end
#
#    0 AMB  21-2:108     77 LEU  HA          5.50    (#    108:21  Single Ambig)
 &rst
  ixpk= 108, nxpk= 21, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 475, 476, 477, 479, 480, 481, 128, 129, 130, 407,
       408, 409,
 &end
#
#    0 AMB  21-2:114     91 ILE  HA          5.50    (#    114:21  Single Ambig)
 &rst
  ixpk= 114, nxpk= 21, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 591, 422, 632, 690,
 &end
#
#    0 AMB  21-2:115     91 ILE  HA          5.50    (#    115:21  Single Ambig)
 &rst
  ixpk= 115, nxpk= 21, iat= 496,1395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  21-2:116     91 ILE  HA          5.50    (#    116:21  Single Ambig)
 &rst
  ixpk= 116, nxpk= 21, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 505, 506, 507, 258, 122, 503,
 &end
#
#    0 AMB  21-2:117     91 ILE  HA          5.50    (#    117:21  Single Ambig)
 &rst
  ixpk= 117, nxpk= 21, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 128, 129, 130, 143, 144, 145, 549, 550, 551,
 &end
#
#    0 AMB  21-2:118     91 ILE  HA          5.50    (#    118:21  Single Ambig)
 &rst
  ixpk= 118, nxpk= 21, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 260, 261, 262, 498, 499, 500,
 &end
#
#    0 AMB  21-2:120     90 PHE  HB2         5.50    (#    120:21  Single Ambig)
 &rst
  ixpk= 120, nxpk= 21, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 264, 265, 266, 498, 499, 500,
 &end
#
#    0 AMB  21-2:121     76 VAL  HA          5.50    (#    121:21  Single Ambig)
 &rst
  ixpk= 121, nxpk= 21, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 475, 476, 477, 407, 408, 409,
 &end
#
#    0 AMB  21-2:122     76 VAL  HA          5.50    (#    122:21  Single Ambig)
 &rst
  ixpk= 122, nxpk= 21, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553,
       554, 555, 569, 570, 571, 191, 192, 193,
 &end
#
#    0 AMB  21-2:123     98 TYR  HB2         5.50    (#    123:21  Single Ambig)
 &rst
  ixpk= 123, nxpk= 21, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=  70, 516, 258, 593,   8, 122, 563,
 &end
#
#    0 AMB  21-2:124     98 TYR  HB2         5.50    (#    124:21  Single Ambig)
 &rst
  ixpk= 124, nxpk= 21, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 &end
#
#    0 AMB  21-2:125     94 ARG  HD3         5.50    (#    125:21  Single Ambig)
 &rst
  ixpk= 125, nxpk= 21, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 255, 516, 544, 258, 122, 236, 356,
 &end
#
#    0 AMB  21-2:129      0 AMB  21-1:129    5.50    (#    129:21  Double Ambig)
 &rst
  ixpk= 129, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 348, 488, 117, 136,
 igr2=1326,1327,1328,
 &end
#
#    0 AMB  21-2:130      0 AMB  21-1:130    5.50    (#    130:21  Double Ambig)
 &rst
  ixpk= 130, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1= 473, 516, 545, 258, 122, 547, 462, 461, 462,
 igr2=1326,1327,1328,
 &end
#
#    0 AMB  21-2:131      0 AMB  21-1:131    4.50    (#    131:21  Double Ambig)
 &rst
  ixpk= 131, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553,
       554, 555, 191, 192, 193,
 igr2=1326,1327,1328,
 &end
#
#    0 AMB  21-2:132      0 AMB  21-1:132    5.50    (#    132:21  Double Ambig)
 &rst
  ixpk= 132, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 264, 265, 266, 498, 499, 500,
 igr2=1326,1327,1328,
 &end
#
#    0 AMB  21-2:133     61 LEU  HB2         5.50    (#    133:21  Single Ambig)
 &rst
  ixpk= 133, nxpk= 21, iat=  -1, 912, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553,
       554, 555, 191, 192, 193,
 &end
#
#    0 AMB  21-2:134     52 ILE  HB          5.50    (#    134:21  Single Ambig)
 &rst
  ixpk= 134, nxpk= 21, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  74,  73, 516, 597,  12,  11,
 &end
#
#    0 AMB  21-2:135     52 ILE  HB          5.50    (#    135:21  Single Ambig)
 &rst
  ixpk= 135, nxpk= 21, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191,
       192, 193,
 &end
#
#    0 AMB  21-2:136     61 LEU  HB3         4.50    (#    136:21  Single Ambig)
 &rst
  ixpk= 136, nxpk= 21, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191,
       192, 193,
 &end
#
#    0 AMB  21-2:137     64 LEU  HB3         4.50    (#    137:21  Single Ambig)
 &rst
  ixpk= 137, nxpk= 21, iat=  -1, 970, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 &end
#
#    0 AMB  21-2:138      0 AMB  21-1:138    5.50    (#    138:21  Double Ambig)
 &rst
  ixpk= 138, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 591, 468, 422, 632, 297, 690,
 igr2=1357,1358,1359,1367,1368,1369,
 &end
#
#    0 AMB  21-2:139      0 AMB  21-1:139    5.50    (#    139:21  Double Ambig)
 &rst
  ixpk= 139, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 239, 258, 138, 139,
 igr2=1357,1358,1359,1367,1368,1369,
 &end
#
#    0 AMB  21-2:140      0 AMB  21-1:140    3.50    (#    140:21  Double Ambig)
 &rst
  ixpk= 140, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191,
       192, 193,
 igr2=1357,1358,1359,1367,1368,1369,
 &end
#
#    0 AMB  21-2:141      0 AMB  21-1:141    5.50    (#    141:21  Double Ambig)
 &rst
  ixpk= 141, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 264, 265, 266, 498, 499, 500,
 igr2=1357,1358,1359,1367,1368,1369,
 &end
#
#    0 AMB  21-2:142      0 AMB  21-1:142    4.50    (#    142:21  Double Ambig)
 &rst
  ixpk= 142, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553,
       554, 555, 569, 570, 571, 191, 192, 193,
 igr2=1481,1482,1483,
 &end
#
#    0 AMB  21-2:143      0 AMB  21-1:143    5.50    (#    143:21  Single Ambig)
 &rst
  ixpk= 143, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 264, 265, 266, 498, 499, 500,
 igr2=1481,1482,1483,
 &end
#
#    0 AMB  21-2:144     91 ILE  HG13        5.50    (#    144:21  Single Ambig)
 &rst
  ixpk= 144, nxpk= 21, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 245, 246, 247, 505, 506, 507, 258, 122,
 &end
#
#    0 AMB  21-2:145     91 ILE  HG13        5.50    (#    145:21  Single Ambig)
 &rst
  ixpk= 145, nxpk= 21, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 479, 480, 481, 128, 129, 130,
 &end
#
#    0 AMB  21-2:146      0 AMB  21-1:146    5.50    (#    146:21  Double Ambig)
 &rst
  ixpk= 146, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1= 496,  89,  88, 139, 516, 359, 258, 122, 411,
 igr2=1158,1159,1160,
 &end
#
#    0 AMB  21-2:147      0 AMB  21-1:147    5.50    (#    147:21  Double Ambig)
 &rst
  ixpk= 147, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1= 260, 261, 262, 498, 499, 500,1162,1163,1164,
 igr2=1158,1159,1160,
 &end
#
#    0 AMB  21-2:148      0 AMB  21-1:148    5.50    (#    148:21  Double Ambig)
 &rst
  ixpk= 148, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.37, r4=11.87,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
       565, 566, 567, 549, 550, 551,
 igr2=1158,1159,1160,
 &end
#
#    0 AMB  21-2:149      0 AMB  21-1:149    4.50    (#    149:21  Double Ambig)
 &rst
  ixpk= 149, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1=  70, 516, 258, 593,   8, 122, 563,
 igr2=1548,1549,1550,
 &end
#
#    0 AMB  21-2:150      0 AMB  21-1:150    3.50    (#    150:21  Double Ambig)
 &rst
  ixpk= 150, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
       651, 649, 650, 653, 654, 655,
 igr2=1548,1549,1550,
 &end
#
#    0 AMB  21-2:151      0 AMB  21-1:151    4.50    (#    151:21  Double Ambig)
 &rst
  ixpk= 151, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 241, 242, 243, 258, 414, 415, 416, 122, 553, 554,
       555, 569, 570, 571, 651, 649, 650, 653, 654, 655,
      
 igr2= 974, 975, 976,
 &end
#
#    0 AMB  21-2:152      0 AMB  21-1:152    4.50    (#    152:21  Double Ambig)
 &rst
  ixpk= 152, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1= 241, 242, 243, 124, 125, 126, 143, 144, 145, 414,
       415, 416, 553, 554, 555, 191, 192, 193,
 igr2= 850, 851, 852,
 &end
#
#    0 AMB  21-2:153      0 AMB  21-1:153    4.50    (#    153:21  Double Ambig)
 &rst
  ixpk= 153, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191,
       192, 193,
 igr2= 854, 855, 856,
 &end
#
#    0 AMB  21-2:154      0 AMB  21-1:154    4.00    (#    154:21  Double Ambig)
 &rst
  ixpk= 154, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 462, 461, 462,
 igr2=1181,1182,1183,1177,1178,1179,
 &end
#
#    0 AMB  21-2:155      0 AMB  21-1:155    4.00    (#    155:21  Double Ambig)
 &rst
  ixpk= 155, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 475, 476, 477, 479, 480, 481,
 igr2=1181,1182,1183,1177,1178,1179,
 &end
#
#    0 AMB  21-2:156      0 AMB  21-1:156    5.50    (#    156:21  Double Ambig)
 &rst
  ixpk= 156, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 igr2=1214,1215,1216,
 &end
#
#    0 AMB  21-2:157      0 AMB  21-1:157    5.50    (#    157:21  Double Ambig)
 &rst
  ixpk= 157, nxpk= 21, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1162,1163,1164,
 &end
#
#    0 AMB  21-2:158      0 AMB  21-1:158    5.50    (#    158:21  Double Ambig)
 &rst
  ixpk= 158, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 521, 403,
 igr2=1162,1163,1164,
 &end
#
#    0 AMB  21-2:159      0 AMB  21-1:159    5.50    (#    159:21  Double Ambig)
 &rst
  ixpk= 159, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=  73,  30, 516, 405, 597, 617,
 igr2=1162,1163,1164,
 &end
#
#    0 AMB  21-2:160      0 AMB  21-1:160    5.50    (#    160:21  Double Ambig)
 &rst
  ixpk= 160, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
 igr1= 496,  89,  88, 519, 139, 516, 359, 258, 122, 411,
       237,
 igr2=1162,1163,1164,
 &end
#
#    0 AMB  21-2:161      0 AMB  21-1:161    5.50    (#    161:21  Double Ambig)
 &rst
  ixpk= 161, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 258, 122,
 igr2=1162,1163,1164,
 &end
#
#    0 AMB  21-2:162      0 AMB  21-1:162    4.50    (#    162:21  Double Ambig)
 &rst
  ixpk= 162, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 475, 476, 477, 479, 480, 481, 128, 129, 130, 407,
       408, 409,
 igr2=1162,1163,1164,
 &end
#
#    0 AMB  21-2:163      0 AMB  21-1:163    3.50    (#    163:21  Double Ambig)
 &rst
  ixpk= 163, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553,
       554, 555, 569, 570, 571, 191, 192, 193,
 igr2=1162,1163,1164,
 &end
#
#    0 AMB  21-2:164      0 AMB  21-1:164    5.50    (#    164:21  Double Ambig)
 &rst
  ixpk= 164, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 264, 265, 266,
 igr2=1162,1163,1164,
 &end
#
#    0 AMB  21-2:166      0 AMB  21-1:166    5.50    (#    166:21  Double Ambig)
 &rst
  ixpk= 166, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1= 255, 692, 138, 516, 544, 258, 122, 236, 356,
 igr2=1229,1230,1231,
 &end
#
#    0 AMB  21-2:167      0 AMB  21-1:167    5.50    (#    167:21  Double Ambig)
 &rst
  ixpk= 167, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 645, 644, 516, 239, 258, 122, 440, 189,
 igr2=1229,1230,1231,
 &end
#
#    0 AMB  21-2:168      0 AMB  21-1:168    5.50    (#    168:21  Double Ambig)
 &rst
  ixpk= 168, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 264, 265, 266, 498, 499, 500,
 igr2=1229,1230,1231,
 &end
#
#    0 AMB  21-2:169      0 AMB  21-1:169    4.50    (#    169:21  Double Ambig)
 &rst
  ixpk= 169, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 128, 129, 130, 143, 144, 145, 549, 550, 551, 191,
       192, 193, 195, 196, 197, 361, 362, 363, 365, 366,
       367,
 igr2=1229,1230,1231,
 &end
#
#    0 AMB  21-2:171      0 AMB  21-1:171    5.50    (#    171:21  Double Ambig)
 &rst
  ixpk= 171, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 519, 516, 258, 122, 237,
 igr2=1233,1234,1235,
 &end
#
#    0 AMB  21-2:172      0 AMB  21-1:172    5.50    (#    172:21  Double Ambig)
 &rst
  ixpk= 172, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1= 645, 644, 516, 239, 258, 122, 440, 471, 357, 189,
      
 igr2=1233,1234,1235,
 &end
#
#    0 AMB  21-2:173      0 AMB  21-1:173    5.50    (#    173:21  Double Ambig)
 &rst
  ixpk= 173, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 igr2=1233,1234,1235,
 &end
#
#    0 AMB  21-2:174      0 AMB  21-1:174    5.50    (#    174:21  Double Ambig)
 &rst
  ixpk= 174, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 264, 265, 266, 498, 499, 500,
 igr2=1233,1234,1235,
 &end
#
#    0 AMB  21-2:175      0 AMB  21-1:175    4.50    (#    175:21  Double Ambig)
 &rst
  ixpk= 175, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 475, 476, 477, 479, 480, 481, 128, 129, 130, 407,
       408, 409,
 igr2=1233,1234,1235,
 &end
#
#    0 AMB  21-2:176     65 LYS  HG3         5.50    (#    176:21  Single Ambig)
 &rst
  ixpk= 176, nxpk= 21, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 &end
#
#    0 AMB  21-2:177      0 AMB  21-1:177    5.50    (#    177:21  Double Ambig)
 &rst
  ixpk= 177, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1= 241, 242, 243, 124, 125, 126, 143, 144, 145, 414,
       415, 416, 549, 550, 551, 553, 554, 555, 191, 192,
       193,
 igr2=1241, 929,
 &end
#
#    0 AMB  21-2:179      0 AMB  21-1:179    5.50    (#    179:21  Double Ambig)
 &rst
  ixpk= 179, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.58, r4=12.08,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
       143, 144, 145, 147, 148, 149, 128, 129, 130,
 igr2= 957, 958, 959,
 &end
#
#    0 AMB  21-2:180      0 AMB  21-1:180    5.50    (#    180:21  Double Ambig)
 &rst
  ixpk= 180, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 260, 261, 262,
 igr2= 957, 958, 959,
 &end
#
#    0 AMB  21-2:181      0 AMB  21-1:181    5.50    (#    181:21  Double Ambig)
 &rst
  ixpk= 181, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 475, 476, 477, 407, 408, 409,
 igr2= 957, 958, 959,
 &end
#
#    0 AMB  21-2:182     98 TYR  HB2         5.50    (#    182:21  Single Ambig)
 &rst
  ixpk= 182, nxpk= 21, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 496,  89,  88, 139, 516, 239, 258, 122, 411,
 &end
#
#    0 AMB  21-2:183     98 TYR  HB2         5.50    (#    183:21  Single Ambig)
 &rst
  ixpk= 183, nxpk= 21, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 264, 265, 266, 498, 499, 500,
 &end
#
#    0 AMB  21-2:184      0 AMB  21-1:184    4.50    (#    184:21  Double Ambig)
 &rst
  ixpk= 184, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1= 479, 480, 481, 128, 129, 130, 549, 550, 551,
 igr2=1406,1407,1408,
 &end
#
#    0 AMB  21-2:185      0 AMB  21-1:185    5.50    (#    185:21  Double Ambig)
 &rst
  ixpk= 185, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 505, 506, 507, 258, 122, 503,
 igr2=1406,1407,1408,
 &end
#
#    0 AMB  21-2:186     94 ARG  HD2         5.50    (#    186:21  Single Ambig)
 &rst
  ixpk= 186, nxpk= 21, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
 igr1= 245, 246, 247, 365, 366, 367, 258, 122, 569, 570,
       571,
 &end
#
#    0 AMB  21-2:187     94 ARG  HD2         5.50    (#    187:21  Single Ambig)
 &rst
  ixpk= 187, nxpk= 21, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 260, 261, 262, 498, 499, 500,
 &end
#
#    0 AMB  21-2:188      0 AMB  21-1:188    5.50    (#    188:21  Double Ambig)
 &rst
  ixpk= 188, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.17, r4=10.67,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 igr2= 731,1526,
 &end
#
#    0 AMB  21-2:191     64 LEU  HB2         5.50    (#    191:21  Single Ambig)
 &rst
  ixpk= 191, nxpk= 21, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553,
       554, 555, 569, 570, 571, 191, 192, 193,
 &end
#
#    0 AMB  21-2:193      0 AMB  21-1:193    5.50    (#    193:21  Double Ambig)
 &rst
  ixpk= 193, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 591, 422, 468,
 igr2=1347,1348,1349,
 &end
#
#    0 AMB  21-2:194      0 AMB  21-1:194    4.50    (#    194:21  Double Ambig)
 &rst
  ixpk= 194, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
 igr1= 470, 255, 138, 516, 258, 530, 122, 236, 356,
 igr2=1347,1348,1349,
 &end
#
#    0 AMB  21-2:195      0 AMB  21-1:195    5.00    (#    195:21  Double Ambig)
 &rst
  ixpk= 195, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 471, 645, 644, 516, 545, 258, 122, 440, 357, 189,
      
 igr2=1347,1348,1349,
 &end
#
#    0 AMB  21-2:196      0 AMB  21-1:196    5.50    (#    196:21  Double Ambig)
 &rst
  ixpk= 196, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 505, 506, 507, 361, 362, 363, 245, 246, 247, 365,
       366, 367, 258, 122, 569, 570, 571,
 igr2=1347,1348,1349,
 &end
#
#    0 AMB  21-2:197      0 AMB  21-1:197    4.50    (#    197:21  Double Ambig)
 &rst
  ixpk= 197, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 475, 476, 477, 479, 480, 481, 128, 129, 130, 407,
       408, 409,
 igr2=1347,1348,1349,
 &end
#
#    0 AMB  21-2:198      0 AMB  21-1:198    6.50    (#    198:21  Double Ambig #weaksincwiggle??spindiff??5.5to6.5on1009)
 &rst
  ixpk= 198, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
 igr1= 264, 265, 266, 498, 499, 500,
 igr2=1347,1348,1349,
 &end
#
#    0 AMB  21-2:199     91 ILE  HB          5.50    (#    199:21  Single Ambig)
 &rst
  ixpk= 199, nxpk= 21, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191,
       192, 193,
 &end
#
#    0 AMB  21-2:201      0 AMB  21-1:201    5.50    (#    201:21  Double Ambig)
 &rst
  ixpk= 201, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 245, 246, 247, 505, 506, 507, 258, 122,
 igr2=1504,1456,
 &end
#
#    0 AMB  21-2:202      0 AMB  21-1:202    5.50    (#    202:21  Double Ambig)
 &rst
  ixpk= 202, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 264, 265, 266, 498, 499, 500,
 igr2=1504,1456,
 &end
#
#    0 AMB  21-2:203     65 LYS  HG2         5.50    (#    203:21  Single Ambig)
 &rst
  ixpk= 203, nxpk= 21, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 241, 242, 243, 124, 125, 126, 414, 415, 416, 553,
       554, 555, 569, 570, 571, 191, 192, 193,
 &end
#
#    0 AMB  21-2:204     65 LYS  HB3         5.50    (#    204:21  Single Ambig)
 &rst
  ixpk= 204, nxpk= 21, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 241, 242, 243, 124, 125, 126, 258, 414, 415, 416,
       122, 553, 554, 555, 569, 570, 571, 191, 192, 193,
      
 &end
#
#    0 AMB  21-2:205      0 AMB  21-1:205    4.50    (#    205:21  Double Ambig)
 &rst
  ixpk= 205, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 169, 516,  34,  33, 173, 379, 378, 532, 621, 620,
      
 igr2= 917, 918, 919,
 &end
#
#    0 AMB  21-2:206      0 AMB  21-1:206    4.00    (#    206:21  Double Ambig)
 &rst
  ixpk= 206, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 124, 125, 126, 143, 144, 145, 549, 550, 551, 191,
       192, 193,
 igr2= 917, 918, 919,
 &end
#
#    0 AMB  21-2:207      0 AMB  21-1:207    4.50    (#    207:21  Double Ambig)
 &rst
  ixpk= 207, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 143, 144, 145, 147, 148, 149, 124, 125, 126, 245,
       246, 247, 241, 242, 243,
 igr2= 978, 979, 980,
 &end
#
#    0 AMB  21-2:208      0 AMB  21-1:208    4.50    (#    208:21  Double Ambig)
 &rst
  ixpk= 208, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 260, 261, 262,
 igr2= 974, 975, 976,
 &end
#
#    0 AMB  21-2:209     93 GLN  HE21        5.00    (#    209:22  Single Ambig)
 &rst
  ixpk= 209, nxpk= 22, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 224, 225, 226, 301, 302, 303,
 &end
#
#    0 AMB  21-2:210     93 GLN  HE22        5.00    (#    210:22  Single Ambig)
 &rst
  ixpk= 210, nxpk= 22, iat=  -1,1447, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 224, 225, 226, 301, 302, 303,
 &end
#
#    0 AMB  21-2:211      0 AMB  21-1:211    4.50    (#    211:21  Double Ambig-manualaddSJD)
 &rst
  ixpk= 211, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 299, 335,
 igr2=1035,1036,
 &end
#
#    0 AMB  21-2:212      0 AMB  21-1:212    4.0     (#    212:21 DoubleAMB-manualaddSJD)
 &rst
  ixpk= 212, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 124, 125, 126, 143, 144, 145,
 igr2= 789, 790, 791,
 &end
#
#    0 AMB  21-2:213      0 AMB  21-1:213    4.0     (#    213:21 DoubleAMB-manualaddSJDreleased3.5to4.0on0925)
 &rst
  ixpk= 213, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 128, 129, 130, 147, 148, 149,
 igr2= 789, 790, 791,
 &end
#
#    0 AMB  21-2:216     94 ARG  HE          3.5     (#    216:21 Singleambigmanualaddsjdcnnoe)
 &rst
  ixpk= 216, nxpk= 21, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1406,1407,1408, 361, 362, 363, 365, 366, 367,
 &end
#
#   98 TYR  HA           98 TYR  HD1         4.00    (#      0:20  Unique         2.03, 2.03 A)
 &rst
  ixpk= 0, nxpk= 20, iat=1523,1529, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:2        0 AMB  20-1:2      5.50    (#      2:20  Double Ambig)
 &rst
  ixpk= 2, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1453,1544,
 igr2=1538,1529,
 &end
#
#   97 LYS  HA            0 AMB  20-1:3      6.00    (#      3:20  Single Ambig #released0705)
 &rst
  ixpk= 3, nxpk= 20, iat=1501,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1529,1538,
 &end
#
#   95 THR  HA           98 TYR  HD2         4.00    (#      4:20  Unique         2.49, 2.49 A)
 &rst
  ixpk= 4, nxpk= 20, iat=1477,1538, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:5        0 AMB  20-1:5      5.00    (#      5:20  Double Ambig)
 &rst
  ixpk= 5, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 521, 494,
 igr2=1538,1529,
 &end
#
#   98 TYR  HB2           0 AMB  20-1:6      4.00    (#      6:20  Single Ambig)
 &rst
  ixpk= 6, nxpk= 20, iat=1525,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1538,1529,
 &end
#
#    0 AMB  20-2:8       98 TYR  HD1         6.00    (#      8:20  Single Ambig)
 &rst
  ixpk= 8, nxpk= 20, iat=  -1,1529, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1590,1589,
 &end
#
#    0 AMB  20-2:9        0 AMB  20-1:9      5.00    (#      9:20  Double Ambig)
 &rst
  ixpk= 9, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 516,1504,1587, 563,1546,1631,
 igr2=1538,1529,
 &end
#
#    0 AMB  20-2:10       0 AMB  20-1:10     5.00    (#     10:20  Double Ambig)
 &rst
  ixpk= 10, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 516,1455,1504,1586, 518,
 igr2=1538,1529,
 &end
#
#    0 AMB  20-2:11       0 AMB  20-1:11     6.00    (#     11:20  Double Ambig)
 &rst
  ixpk= 11, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 516,1504,
 igr2=1538,1529,
 &end
#
#    0 AMB  20-2:12       0 AMB  20-1:12     4.00    (#     12:20  Double Ambig)
 &rst
  ixpk= 12, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 496, 516,1504,1509,
 igr2=1538,1529,
 &end
#
#    0 AMB  20-2:13       0 AMB  20-1:13     6.00    (#     13:20  Double Ambig)
 &rst
  ixpk= 13, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 516,1504,1422,
 igr2=1538,1529,
 &end
#
#    0 AMB  20-2:14       0 AMB  20-1:14     5.00    (#     14:20  Double Ambig)
 &rst
  ixpk= 14, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 516,1504,1422,
 igr2=1538,1529,
 &end
#
#    0 AMB  20-2:15       0 AMB  20-1:15     6.00    (#     15:20  Double Ambig)
 &rst
  ixpk= 15, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1481, 502, 516,1506,1482,1483,
 igr2=1538,1529,
 &end
#
#    0 AMB  20-2:16       0 AMB  20-1:16     5.00    (#     16:20  Double Ambig)
 &rst
  ixpk= 16, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1553,1552,1554,1549,1550,1548,
 igr2=1538,1529,
 &end
#
#    0 AMB  20-2:18      98 TYR  HD2         4.00    (#     18:20  Single Ambig)
 &rst
  ixpk= 18, nxpk= 20, iat=  -1,1538, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 571, 570, 569,
 &end
#
#    0 AMB  20-2:19      98 TYR  HD2         4.00    (#     19:20  Single Ambig)
 &rst
  ixpk= 19, nxpk= 20, iat=  -1,1538, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 500, 498,
 &end
#
#   97 LYS  HG3           0 AMB  20-1:20     6.00    (#     20:20  Single Ambig)
 &rst
  ixpk= 20, nxpk= 20, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1529,1538,
 &end
#
#    0 AMB  20-2:21       0 AMB  20-1:21     6.00    (#     21:20  Double Ambig)
 &rst
  ixpk= 21, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 272, 422,
 igr2=1381,1389,
 &end
#
#    0 AMB  20-2:22       0 AMB  20-1:22     6.00    (#     22:20  Double Ambig)
 &rst
  ixpk= 22, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1338, 253,1453,
 igr2=1389,1381,
 &end
#
#    0 AMB  20-2:23      90 PHE  HD1         5.00    (#     23:20  Single Ambig)
 &rst
  ixpk= 23, nxpk= 20, iat=  -1,1381, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1375, 275,
 &end
#
#   14 HIS  HB2           0 AMB  20-1:24     6.00    (#     24:20  Single Ambig)
 &rst
  ixpk= 24, nxpk= 20, iat= 205,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1381,1389,
 &end
#
#    0 AMB  20-2:25       0 AMB  20-1:25     5.00    (#     25:20  Double Ambig)
 &rst
  ixpk= 25, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 206,1378,
 igr2=1381,1389,
 &end
#
#    0 AMB  20-2:27       0 AMB  20-1:27     6.00    (#     27:20  Double Ambig)
 &rst
  ixpk= 27, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
 igr1=1347, 258,1455,1344,1348,1340,1349,
 igr2=1389,1381,
 &end
#
#    0 AMB  20-2:28       0 AMB  20-1:28     6.00    (#     28:20  Double Ambig)
 &rst
  ixpk= 28, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 258, 255,1344,1341,1224,
 igr2=1381,1389,
 &end
#
#    0 AMB  20-2:29       0 AMB  20-1:29     5.00    (#     29:20  Double Ambig)
 &rst
  ixpk= 29, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 258,1344,1341,
 igr2=1381,1389,
 &end
#
#    0 AMB  20-2:30       0 AMB  20-1:30     6.00    (#     30:20  Double Ambig)
 &rst
  ixpk= 30, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 258,1341,
 igr2=1381,1389,
 &end
#
#    0 AMB  20-2:31       0 AMB  20-1:31     6.00    (#     31:20  Double Ambig)
 &rst
  ixpk= 31, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1458, 258,
 igr2=1381,1389,
 &end
#
#    0 AMB  20-2:32       0 AMB  20-1:32     6.00    (#     32:20  Double Ambig)
 &rst
  ixpk= 32, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 258,1404,
 igr2=1381,1389,
 &end
#
#    0 AMB  20-2:33       0 AMB  20-1:33     5.00    (#     33:20  Double Ambig)
 &rst
  ixpk= 33, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 258, 507, 506,1158,1327,
 igr2=1381,1389,
 &end
#
#    0 AMB  20-2:34       0 AMB  20-1:34     4.00    (#     34:20  Double Ambig)
 &rst
  ixpk= 34, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 258,1330,1178, 980,1332, 976,1331,1179, 414,
 igr2=1381,1389,
 &end
#
#    0 AMB  20-2:35       0 AMB  20-1:35     4.00    (#     35:20  Double Ambig)
 &rst
  ixpk= 35, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 477, 476, 481, 479, 475, 409, 407,
 igr2=1389,1381,
 &end
#
#    0 AMB  20-2:36       0 AMB  20-1:36     5.00    (#     36:20  Double Ambig)
 &rst
  ixpk= 36, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 266, 265, 264,
 igr2=1389,1381,
 &end
#
#    0 AMB  20-2:37      90 PHE  HD2         6.00    (#     37:20  Single Ambig)
 &rst
  ixpk= 37, nxpk= 20, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1230,1231,
 &end
#
#    0 AMB  20-2:38      90 PHE  HD2         6.00    (#     38:20  Single Ambig)
 &rst
  ixpk= 38, nxpk= 20, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1233,1235,1234,
 &end
#
#    0 AMB  20-2:39       0 AMB  20-1:39     6.00    (#     39:20  Double Ambig)
 &rst
  ixpk= 39, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 422, 468,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:40       0 AMB  20-1:40     6.00    (#     40:20  Double Ambig)
 &rst
  ixpk= 40, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 253,1453,1338,1120,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:41       0 AMB  20-1:41     6.00    (#     41:20  Double Ambig)
 &rst
  ixpk= 41, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1375, 275,1222,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:42       0 AMB  20-1:42     6.00    (#     42:20  Double Ambig)
 &rst
  ixpk= 42, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 206,1378,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:43       0 AMB  20-1:43     6.00    (#     43:20  Double Ambig)
 &rst
  ixpk= 43, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1461,1344,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:44       0 AMB  20-1:44     6.00    (#     44:20  Double Ambig)
 &rst
  ixpk= 44, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1377,1344,
 igr2=1387,1383,
 &end
#
#    0 AMB  20-2:45       0 AMB  20-1:45     6.00    (#     45:20  Double Ambig)
 &rst
  ixpk= 45, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1462,1343,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:46       0 AMB  20-1:46     6.00    (#     46:20  Double Ambig)
 &rst
  ixpk= 46, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 405,1156,1344,
 igr2=1387,1383,
 &end
#
#    0 AMB  20-2:47       0 AMB  20-1:47     6.00    (#     47:20  Double Ambig)
 &rst
  ixpk= 47, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
 igr1=1347, 258,1455,1348,1349,1344,1403,
 igr2=1387,1383,
 &end
#
#    0 AMB  20-2:48       0 AMB  20-1:48     6.00    (#     48:20  Double Ambig)
 &rst
  ixpk= 48, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
 igr1= 258,1224,1172,1344, 255, 356,1175,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:49       0 AMB  20-1:49     5.00    (#     49:20  Double Ambig)
 &rst
  ixpk= 49, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 258,1456,1227,1344,1175,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:50       0 AMB  20-1:50     5.00    (#     50:20  Double Ambig)
 &rst
  ixpk= 50, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 258, 359,1456,1344, 411,1175,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:51       0 AMB  20-1:51     6.00    (#     51:20  Double Ambig)
 &rst
  ixpk= 51, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1458, 258,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:52       0 AMB  20-1:52     6.00    (#     52:20  Double Ambig)
 &rst
  ixpk= 52, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1459, 258,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:53       0 AMB  20-1:53     6.00    (#     53:20  Double Ambig)
 &rst
  ixpk= 53, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 258, 357,1175,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:54       0 AMB  20-1:54     5.00    (#     54:20  Double Ambig)
 &rst
  ixpk= 54, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1= 258,1158,1160, 506,1175, 507,1159,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:55       0 AMB  20-1:55     4.00    (#     55:20  Double Ambig)
 &rst
  ixpk= 55, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 258, 414, 976,1178, 415, 416,1179,1175, 975, 367,
      1408, 366, 974,1177, 365,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:56       0 AMB  20-1:56     4.00    (#     56:20  Double Ambig)
 &rst
  ixpk= 56, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 409, 481, 407, 477, 408, 479,
 igr2=1387,1383,
 &end
#
#    0 AMB  20-2:57       0 AMB  20-1:57     4.00    (#     57:20  Double Ambig)
 &rst
  ixpk= 57, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 260, 262,
 igr2=1383,1387,
 &end
#
#    0 AMB  20-2:58      90 PHE  HE2         5.00    (#     58:20  Single Ambig)
 &rst
  ixpk= 58, nxpk= 20, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1230,1231,1229,
 &end
#
#   25 LEU  HA           90 PHE  HZ          6.00    (#     60:20  Unique         3.73, 3.73 A)
 &rst
  ixpk= 60, nxpk= 20, iat= 354,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:61      90 PHE  HZ          6.00    (#     61:20  Single Ambig)
 &rst
  ixpk= 61, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 422, 272,
 &end
#
#    0 AMB  20-2:62      90 PHE  HZ          6.00    (#     62:20  Single Ambig)
 &rst
  ixpk= 62, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 253, 348,1338,1453,1120,
 &end
#
#   28 ILE  HA           90 PHE  HZ          6.00    (#     64:20  Unique         4.78, 4.78 A)
 &rst
  ixpk= 64, nxpk= 20, iat= 403,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:65      90 PHE  HZ          6.00    (#     65:20  Single Ambig)
 &rst
  ixpk= 65, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1461,1344,
 &end
#
#    0 AMB  20-2:66      90 PHE  HZ          6.00    (#     66:20  Single Ambig)
 &rst
  ixpk= 66, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1462,1343,
 &end
#
#   28 ILE  HB           90 PHE  HZ          6.00    (#     67:20  Unique         2.54, 2.54 A)
 &rst
  ixpk= 67, nxpk= 20, iat= 405,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:68      90 PHE  HZ          6.00    (#     68:20  Single Ambig)
 &rst
  ixpk= 68, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 258,1347,1455,1403,1349,1348,1344,
 &end
#
#    0 AMB  20-2:69      90 PHE  HZ          5.00    (#     69:20  Single Ambig)
 &rst
  ixpk= 69, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 258, 411, 359,
 &end
#
#    0 AMB  20-2:70      90 PHE  HZ          5.00    (#     70:20  Single Ambig)
 &rst
  ixpk= 70, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 258,1458,
 &end
#
#    0 AMB  20-2:71      90 PHE  HZ          6.00    (#     71:20  Single Ambig)
 &rst
  ixpk= 71, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 258,1459,
 &end
#
#   17 LEU  HG           90 PHE  HZ          6.00    (#     72:20  Unique         3.93, 3.93 A)
 &rst
  ixpk= 72, nxpk= 20, iat= 258,1385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:73      90 PHE  HZ          6.00    (#     73:20  Single Ambig)
 &rst
  ixpk= 73, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 258, 255,1227,1172, 356,1224,
 &end
#
#    0 AMB  20-2:74      90 PHE  HZ          6.00    (#     74:20  Single Ambig)
 &rst
  ixpk= 74, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 258, 412,
 &end
#
#    0 AMB  20-2:75      90 PHE  HZ          4.00    (#     75:20  Single Ambig)
 &rst
  ixpk= 75, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 258, 414, 976, 415, 975, 416, 974,
 &end
#
#    0 AMB  20-2:76      90 PHE  HZ          4.00    (#     76:20  Single Ambig)
 &rst
  ixpk= 76, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 407, 409, 477, 408,
 &end
#
#    0 AMB  20-2:77      90 PHE  HZ          5.00    (#     77:20  Single Ambig)
 &rst
  ixpk= 77, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1164, 266,1163, 264, 265,1162,
 &end
#
#    0 AMB  20-2:80      90 PHE  HZ          5.00    (#     80:20  Single Ambig)
 &rst
  ixpk= 80, nxpk= 20, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 258,1160,1158, 506,1159,
 &end
#
#    0 AMB  20-2:101     83 ASN  HA          6.00    (#    101:20  Single Ambig)
 &rst
  ixpk= 101, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1263, 767,
 &end
#
#    0 AMB  20-2:102     83 ASN  HA          6.00    (#    102:20  Single Ambig)
 &rst
  ixpk= 102, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1296,1266,
 &end
#
#    0 AMB  20-2:103     83 ASN  HA          6.00    (#    103:20  Single Ambig)
 &rst
  ixpk= 103, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1266,1302,1319,
 &end
#
#   84 PRO  HD2          83 ASN  HA          4.00    (#    104:20  Unique         2.34, 2.34 A)
 &rst
  ixpk= 104, nxpk= 20, iat=1287,1274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 PRO  HD3          83 ASN  HA          4.00    (#    105:20  Unique         2.46, 2.46 A)
 &rst
  ixpk= 105, nxpk= 20, iat=1288,1274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 ASN  HB3          83 ASN  HA          4.00    (#    106:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 106, nxpk= 20, iat=1277,1274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 ASN  HB2          83 ASN  HA          4.00    (#    107:20  Unique         2.39, 2.39 A)
 &rst
  ixpk= 107, nxpk= 20, iat=1276,1274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:108     83 ASN  HA          4.00    (#    108:20  Single Ambig)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1290,1291,1293,
 &end
#
#    0 AMB  20-2:109     83 ASN  HA          6.00    (#    109:20  Single Ambig)
 &rst
  ixpk= 109, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1290,1291,
 &end
#
#    0 AMB  20-2:110     83 ASN  HA          5.00    (#    110:20  Single Ambig)
 &rst
  ixpk= 110, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1290,1291,
 &end
#
#    0 AMB  20-2:111     83 ASN  HA          4.00    (#    111:20  Single Ambig)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1290,1291,1294,
 &end
#
#    0 AMB  20-2:112     83 ASN  HA          6.00    (#    112:20  Single Ambig)
 &rst
  ixpk= 112, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1290,1291,  71,
 &end
#
#    0 AMB  20-2:113     83 ASN  HA          6.00    (#    113:20  Single Ambig)
 &rst
  ixpk= 113, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1290,1291,1322,
 &end
#
#   52 ILE  HB           83 ASN  HA          5.00    (#    114:20  Unique         2.47, 2.47 A)
 &rst
  ixpk= 114, nxpk= 20, iat= 780,1274, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:115     83 ASN  HA          6.00    (#    115:20  Single Ambig)
 &rst
  ixpk= 115, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1290,1291,
 &end
#
#    0 AMB  20-2:116     83 ASN  HA          6.00    (#    116:20  Single Ambig)
 &rst
  ixpk= 116, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1290,1291, 836, 835, 837,
 &end
#
#    0 AMB  20-2:117     83 ASN  HA          6.00    (#    117:20  Single Ambig)
 &rst
  ixpk= 117, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 789, 791, 790,
 &end
#
#    0 AMB  20-2:118     83 ASN  HA          6.00    (#    118:20  Single Ambig)
 &rst
  ixpk= 118, nxpk= 20, iat=  -1,1274, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 784, 782,
 &end
#
#   69 SER  HB3          69 SER  HA          3.50    (#    121:20  Unique         2.54, 2.54 A)
 &rst
  ixpk= 121, nxpk= 20, iat=1047,1044, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 SER  HB2          69 SER  HA          3.00    (#    122:20  Unique         2.42, 2.42 A)
 &rst
  ixpk= 122, nxpk= 20, iat=1046,1044, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   70 PRO  HD2          69 SER  HA          4.00    (#    123:20  Unique         3.10, 3.10 A)
 &rst
  ixpk= 123, nxpk= 20, iat=1054,1044, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:124     69 SER  HA          6.00    (#    124:20  Single Ambig)
 &rst
  ixpk= 124, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1075,1074,1092,
 &end
#
#    0 AMB  20-2:125     69 SER  HA          5.00    (#    125:20  Single Ambig)
 &rst
  ixpk= 125, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1060,1071,1075,1072,1074,
 &end
#
#    0 AMB  20-2:126     69 SER  HA          5.00    (#    126:20  Single Ambig)
 &rst
  ixpk= 126, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1021,1057,1071,1075,1022,1072,
 &end
#
#    0 AMB  20-2:127     69 SER  HA          5.50    (#    127:20  Single Ambig #from5.0to5.5on0927)
 &rst
  ixpk= 127, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1058,1071,1075,1072,
 &end
#
#    0 AMB  20-2:128     69 SER  HA          5.00    (#    128:20  Single Ambig)
 &rst
  ixpk= 128, nxpk= 20, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1071,1075,1061,1072,1074,
 &end
#
#    0 AMB  20-2:129     53 SER  HA          5.00    (#    129:20  Single Ambig)
 &rst
  ixpk= 129, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1266, 816, 833, 822,
 &end
#
#    0 AMB  20-2:130     53 SER  HA          3.00    (#    130:20  Single Ambig)
 &rst
  ixpk= 130, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 799, 807,1266,
 &end
#
#    0 AMB  20-2:131     53 SER  HA          3.00    (#    131:20  Single Ambig)
 &rst
  ixpk= 131, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 800, 808,
 &end
#
#    0 AMB  20-2:133     53 SER  HA          5.00    (#    133:20  Single Ambig)
 &rst
  ixpk= 133, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 811, 813, 810,  74,
 &end
#
#    0 AMB  20-2:134     53 SER  HA          5.00    (#    134:20  Single Ambig)
 &rst
  ixpk= 134, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 811, 810, 894,
 &end
#
#    0 AMB  20-2:135     53 SER  HA          4.50    (#    135:20  Single Ambig#releasedfrom4.0on0619)
 &rst
  ixpk= 135, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 811, 810, 814, 122, 718,
 &end
#
#    0 AMB  20-2:136     53 SER  HA          6.00    (#    136:20  Single Ambig)
 &rst
  ixpk= 136, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 780, 811,1321, 810,
 &end
#
#    0 AMB  20-2:137     53 SER  HA          6.00    (#    137:20  Single Ambig)
 &rst
  ixpk= 137, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 811, 189, 810, 848, 122,
 &end
#
#    0 AMB  20-2:138     53 SER  HA          6.00    (#    138:20  Single Ambig)
 &rst
  ixpk= 138, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 836, 837, 835,
 &end
#
#    0 AMB  20-2:139     53 SER  HA          5.00    (#    139:20  Single Ambig)
 &rst
  ixpk= 139, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr1= 782, 191, 193, 125, 124, 784, 783, 192, 854, 126,
      1208,
 &end
#
#    0 AMB  20-2:140     49 ASN  HA          6.00    (#    140:20  Single Ambig)
 &rst
  ixpk= 140, nxpk= 20, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 770, 715, 769,
 &end
#
#    0 AMB  20-2:141     49 ASN  HA          6.00    (#    141:20  Single Ambig)
 &rst
  ixpk= 141, nxpk= 20, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 751, 715, 752,
 &end
#
#   49 ASN  HB2          49 ASN  HA          4.00    (#    142:20  Unique         2.55, 2.55 A)
 &rst
  ixpk= 142, nxpk= 20, iat= 731, 729, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   49 ASN  HB3          49 ASN  HA          5.00    (#    143:20  Unique         2.32, 2.32 A)
 &rst
  ixpk= 143, nxpk= 20, iat= 732, 729, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:144     49 ASN  HA          6.00    (#    144:20  Single Ambig)
 &rst
  ixpk= 144, nxpk= 20, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 721, 745, 746, 718, 717, 749, 810,
 &end
#
#    0 AMB  20-2:146     49 ASN  HA          6.00    (#    146:20  Single Ambig)
 &rst
  ixpk= 146, nxpk= 20, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 745, 746, 749, 810, 748,
 &end
#
#    0 AMB  20-2:147     49 ASN  HA          6.00    (#    147:20  Single Ambig)
 &rst
  ixpk= 147, nxpk= 20, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 790, 789, 791,
 &end
#
#    0 AMB  20-2:160    102 GLN  HA          6.00    (#    160:20  Single Ambig)
 &rst
  ixpk= 160, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1544,1615,
 &end
#
#  103 PRO  HD2         102 GLN  HA          3.50    (#    161:20  Unique         2.70, 2.70 A)
 &rst
  ixpk= 161, nxpk= 20, iat=1600,1584, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  103 PRO  HD3         102 GLN  HA          3.50    (#    162:20  Unique         3.61, 3.61 A)
 &rst
  ixpk= 162, nxpk= 20, iat=1601,1584, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:163    102 GLN  HA          6.00    (#    163:20  Single Ambig)
 &rst
  ixpk= 163, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1572,1606,1526,
 &end
#
#    0 AMB  20-2:164    102 GLN  HA          6.00    (#    164:20  Single Ambig)
 &rst
  ixpk= 164, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1573,1606,
 &end
#
#  103 PRO  HB2         102 GLN  HA          6.00    (#    165:20  Unique         6.02, 6.02 A)
 &rst
  ixpk= 165, nxpk= 20, iat=1606,1584, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:166    102 GLN  HA          4.00    (#    166:20  Single Ambig)
 &rst
  ixpk= 166, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1589,1590,1604,
 &end
#
#    0 AMB  20-2:167    102 GLN  HA          6.00    (#    167:20  Single Ambig)
 &rst
  ixpk= 167, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1604,1606,
 &end
#
#    0 AMB  20-2:168    102 GLN  HA          4.00    (#    168:20  Single Ambig)
 &rst
  ixpk= 168, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1587,1631,1633,
 &end
#
#  102 GLN  HB2         102 GLN  HA          4.00    (#    169:20  Unique         2.43, 2.43 A)
 &rst
  ixpk= 169, nxpk= 20, iat=1586,1584, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:170    102 GLN  HA          6.00    (#    170:20  Single Ambig)
 &rst
  ixpk= 170, nxpk= 20, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1604,1606,1563,1564,
 &end
#
#    0 AMB  20-2:172     51 SER  HA          5.00    (#    172:20  Single Ambig)
 &rst
  ixpk= 172, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 778, 807,
 &end
#
#    0 AMB  20-2:173     51 SER  HA          3.00    (#    173:20  Single Ambig)
 &rst
  ixpk= 173, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 769, 770,
 &end
#
#    0 AMB  20-2:174     51 SER  HA          6.00    (#    174:20  Single Ambig)
 &rst
  ixpk= 174, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 810, 811, 720,
 &end
#
#    0 AMB  20-2:175     51 SER  HA          6.00    (#    175:20  Single Ambig)
 &rst
  ixpk= 175, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  34,  33, 810, 811,
 &end
#
#    0 AMB  20-2:176     51 SER  HA          6.00    (#    176:20  Single Ambig)
 &rst
  ixpk= 176, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  73,  30, 746,
 &end
#
#    0 AMB  20-2:177     51 SER  HA          6.00    (#    177:20  Single Ambig)
 &rst
  ixpk= 177, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 746, 810, 811, 745,
 &end
#
#    0 AMB  20-2:178     51 SER  HA          6.00    (#    178:20  Single Ambig)
 &rst
  ixpk= 178, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 749, 746, 810,   8, 811, 745, 748, 721,
 &end
#
#    0 AMB  20-2:179     51 SER  HA          6.00    (#    179:20  Single Ambig)
 &rst
  ixpk= 179, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 749, 746,  71, 810, 811, 745, 748,
 &end
#
#    0 AMB  20-2:180     51 SER  HA          5.00    (#    180:20  Single Ambig)
 &rst
  ixpk= 180, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 780, 749, 746, 810, 811, 745, 748,
 &end
#
#    0 AMB  20-2:181     51 SER  HA          5.00    (#    181:20  Single Ambig)
 &rst
  ixpk= 181, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 749, 746, 810, 811, 745, 748,
 &end
#
#    0 AMB  20-2:183     51 SER  HA          6.00    (#    183:20  Single Ambig)
 &rst
  ixpk= 183, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 124, 126, 783, 125, 782, 784,
 &end
#
#    0 AMB  20-2:184     51 SER  HA          6.00    (#    184:20  Single Ambig)
 &rst
  ixpk= 184, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 749, 746, 810,  31, 811, 745, 748, 721,   9,
 &end
#
#    0 AMB  20-2:185     51 SER  HA          5.00    (#    185:20  Single Ambig)
 &rst
  ixpk= 185, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 786, 749, 746, 810, 811,
 &end
#
#    0 AMB  20-2:186     51 SER  HA          5.00    (#    186:20  Single Ambig)
 &rst
  ixpk= 186, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 790, 791, 789,
 &end
#
#  104 GLY  HA2         105 MET  HA          6.00    (#    187:20  Unique         4.54, 4.54 A)
 &rst
  ixpk= 187, nxpk= 20, iat=1615,1622, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  103 PRO  HB2         105 MET  HA          6.00    (#    188:20  Unique         7.69, 7.69 A)
 &rst
  ixpk= 188, nxpk= 20, iat=1606,1622, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  103 PRO  HB2         105 MET  HA          6.00    (#    189:20  Unique         7.69, 7.69 A released5.0to5.5on1009to6.0on1015)
 &rst
  ixpk= 189, nxpk= 20, iat=1606,1622, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  105 MET  HB2         105 MET  HA          4.00    (#    190:20  Unique         2.43, 2.43 A)
 &rst
  ixpk= 190, nxpk= 20, iat=1624,1622, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  105 MET  HB3         105 MET  HA          5.00    (#    191:20  Unique         2.36, 2.36 A)
 &rst
  ixpk= 191, nxpk= 20, iat=1625,1622, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 ASN  HA           82 SER  HA          6.00    (#    192:20  Unique         4.62, 4.62 A)
 &rst
  ixpk= 192, nxpk= 20, iat=1274,1263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   82 SER  HB3          82 SER  HA          5.00    (#    193:20  Unique         2.36, 2.36 A)
 &rst
  ixpk= 193, nxpk= 20, iat=1266,1263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 ASN  HB3          82 SER  HA          6.50    (#    194:20  Unique         5.76, 5.76 A #spindif?6.0to6.5on1012)
 &rst
  ixpk= 194, nxpk= 20, iat=1277,1263, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#   83 ASN  HB2          82 SER  HA          6.00    (#    195:20  Unique         5.70, 5.70 A)
 &rst
  ixpk= 195, nxpk= 20, iat=1276,1263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   84 PRO  HG3          82 SER  HA          6.00    (#    196:20  Unique         7.81, 7.81 A)
 &rst
  ixpk= 196, nxpk= 20, iat=1291,1263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   84 PRO  HG3          82 SER  HA          6.00    (#    197:20  Unique         7.81, 7.81 A)
 &rst
  ixpk= 197, nxpk= 20, iat=1291,1263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:198     82 SER  HA          5.00    (#    198:20  Single Ambig)
 &rst
  ixpk= 198, nxpk= 20, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1294,1291,
 &end
#
#    0 AMB  20-2:199     82 SER  HA          6.00    (#    199:20  Single Ambig)
 &rst
  ixpk= 199, nxpk= 20, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1243,1291,1211,
 &end
#
#    0 AMB  20-2:200     82 SER  HA          5.00    (#    200:20  Single Ambig)
 &rst
  ixpk= 200, nxpk= 20, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1244,1291,1211,
 &end
#
#    0 AMB  20-2:201     82 SER  HA          6.00    (#    201:20  Single Ambig)
 &rst
  ixpk= 201, nxpk= 20, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1249,1291,1211,
 &end
#
#    0 AMB  20-2:202     82 SER  HA          6.00    (#    202:20  Single Ambig)
 &rst
  ixpk= 202, nxpk= 20, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 835, 836, 837,1250,
 &end
#
#    0 AMB  20-2:203     82 SER  HA          6.00    (#    203:20  Single Ambig)
 &rst
  ixpk= 203, nxpk= 20, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 782, 784, 783,
 &end
#
#    0 AMB  20-2:205     59 ASP  HA          5.00    (#    205:20  Single Ambig)
 &rst
  ixpk= 205, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 862, 953, 929, 843,
 &end
#
#    0 AMB  20-2:206     59 ASP  HA          5.00    (#    206:20  Single Ambig)
 &rst
  ixpk= 206, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 937, 938,
 &end
#
#    0 AMB  20-2:207     59 ASP  HA          4.00    (#    207:20  Single Ambig)
 &rst
  ixpk= 207, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 881, 938,
 &end
#
#   59 ASP  HB3          59 ASP  HA          3.50    (#    208:20  Unique         2.68, 2.68 A)
 &rst
  ixpk= 208, nxpk= 20, iat= 882, 879, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:210     59 ASP  HA          6.00    (#    210:20  Single Ambig)
 &rst
  ixpk= 210, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 864, 894,
 &end
#
#    0 AMB  20-2:212     59 ASP  HA          4.00    (#    212:20  Single Ambig)
 &rst
  ixpk= 212, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 934, 935,
 &end
#
#    0 AMB  20-2:213     59 ASP  HA          5.00    (#    213:20  Single Ambig)
 &rst
  ixpk= 213, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 934, 935,
 &end
#
#    0 AMB  20-2:214     59 ASP  HA          5.00    (#    214:20  Single Ambig)
 &rst
  ixpk= 214, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 934, 935,
 &end
#
#    0 AMB  20-2:215     59 ASP  HA          6.00    (#    215:20  Single Ambig)
 &rst
  ixpk= 215, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 934, 935,
 &end
#
#    0 AMB  20-2:216     59 ASP  HA          6.00    (#    216:20  Single Ambig)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1211, 247, 896,
 &end
#
#    0 AMB  20-2:217     59 ASP  HA          5.00    (#    217:20  Single Ambig)
 &rst
  ixpk= 217, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1209,1211,1208,1207, 192,
 &end
#
#    0 AMB  20-2:218     59 ASP  HA          5.00    (#    218:20  Single Ambig)
 &rst
  ixpk= 218, nxpk= 20, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1215,1216,1211,1214,
 &end
#
#   99 VAL  HA          103 PRO  HA          5.00    (#    241:20  Unique         2.84, 2.84 A)
 &rst
  ixpk= 241, nxpk= 20, iat=1544,1609, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 PRO  HD2         103 PRO  HA          5.00    (#    242:20  Unique         4.02, 4.02 A)
 &rst
  ixpk= 242, nxpk= 20, iat=1600,1609, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 PRO  HD3         103 PRO  HA          6.00    (#    243:20  Unique         3.41, 3.41 A)
 &rst
  ixpk= 243, nxpk= 20, iat=1601,1609, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:244    103 PRO  HA          6.00    (#    244:20  Single Ambig)
 &rst
  ixpk= 244, nxpk= 20, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1606,1604,1589,
 &end
#
#    0 AMB  20-2:245    103 PRO  HA          3.50    (#    245:20  Single Ambig)
 &rst
  ixpk= 245, nxpk= 20, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1606,1604,
 &end
#
#    0 AMB  20-2:246    103 PRO  HA          4.00    (#    246:20  Single Ambig)
 &rst
  ixpk= 246, nxpk= 20, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1606,1603,1604,
 &end
#
#    0 AMB  20-2:247    103 PRO  HA          4.00    (#    247:20  Single Ambig)
 &rst
  ixpk= 247, nxpk= 20, iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1607,1606,
 &end
#
#    0 AMB  20-2:248     78 ASN  HA          5.00    (#    248:20  Single Ambig)
 &rst
  ixpk= 248, nxpk= 20, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1137,1266,
 &end
#
#    0 AMB  20-2:249     78 ASN  HA          6.00    (#    249:20  Single Ambig)
 &rst
  ixpk= 249, nxpk= 20, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1120,1266,
 &end
#
#    0 AMB  20-2:250     78 ASN  HA          6.00    (#    250:20  Single Ambig)
 &rst
  ixpk= 250, nxpk= 20, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1241,1266,
 &end
#
#    0 AMB  20-2:251     78 ASN  HA          5.00    (#    251:20  Single Ambig)
 &rst
  ixpk= 251, nxpk= 20, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1203,1266,
 &end
#
#   78 ASN  HB3          78 ASN  HA          3.50    (#    252:20  Unique         3.00, 3.00 A)
 &rst
  ixpk= 252, nxpk= 20, iat=1192,1189, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   78 ASN  HB2          78 ASN  HA          3.00    (#    253:20  Unique         2.57, 2.57 A)
 &rst
  ixpk= 253, nxpk= 20, iat=1191,1189, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:254     78 ASN  HA          4.00    (#    254:20  Single Ambig released3.5to4.0on1009)
 &rst
  ixpk= 254, nxpk= 20, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1244,1122,1224,1175,1205,1123,1125,
 &end
#
#    0 AMB  20-2:255     78 ASN  HA          4.00    (#    255:20  Single Ambig)
 &rst
  ixpk= 255, nxpk= 20, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1249,1122,1175,1123,
 &end
#
#   81 LYS  HD3          78 ASN  HA          5.00    (#    256:20  Unique         2.39, 2.39 A)
 &rst
  ixpk= 256, nxpk= 20, iat=1250,1189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:257     78 ASN  HA          5.00    (#    257:20  Single Ambig)
 &rst
  ixpk= 257, nxpk= 20, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1211,1181,1182,1183,
 &end
#
#    0 AMB  20-2:258     78 ASN  HA          6.00    (#    258:20  Single Ambig)
 &rst
  ixpk= 258, nxpk= 20, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1=1211, 414,1207, 416,1208, 415,1209,
 &end
#
#    0 AMB  20-2:260     84 PRO  HA          5.00    (#    260:20  Single Ambig)
 &rst
  ixpk= 260, nxpk= 20, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1287,1241,
 &end
#
#   84 PRO  HD3          84 PRO  HA          5.00    (#    261:20  Unique         3.48, 3.48 A)
 &rst
  ixpk= 261, nxpk= 20, iat=1288,1296, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:262     84 PRO  HA          5.00    (#    262:20  Single Ambig)
 &rst
  ixpk= 262, nxpk= 20, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1290,1341,1344,1276,
 &end
#
#    0 AMB  20-2:263     84 PRO  HA          3.50    (#    263:20  Single Ambig)
 &rst
  ixpk= 263, nxpk= 20, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1293,1290,1291,1341,
 &end
#
#    0 AMB  20-2:264     84 PRO  HA          4.00    (#    264:20  Single Ambig)
 &rst
  ixpk= 264, nxpk= 20, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1290,1291,1341,
 &end
#
#    0 AMB  20-2:265     84 PRO  HA          3.00    (#    265:20  Single Ambig)
 &rst
  ixpk= 265, nxpk= 20, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1290,1291,1341,
 &end
#
#    0 AMB  20-2:266     84 PRO  HA          3.50    (#    266:20  Single Ambig)
 &rst
  ixpk= 266, nxpk= 20, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1290,1291,1341,
 &end
#
#    0 AMB  20-2:267     84 PRO  HA          5.00    (#    267:20  Single Ambig)
 &rst
  ixpk= 267, nxpk= 20, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1290,1291,1341,1340,
 &end
#
#    0 AMB  20-2:268     84 PRO  HA          4.00    (#    268:20  Single Ambig)
 &rst
  ixpk= 268, nxpk= 20, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1294,1290,1291,
 &end
#
#    0 AMB  20-2:269     70 PRO  HA          5.00    (#    269:20  Single Ambig)
 &rst
  ixpk= 269, nxpk= 20, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1092,1091,1071,1088,1075,
 &end
#
#    0 AMB  20-2:270     84 PRO  HA          6.00    (#    270:20  Single Ambig)
 &rst
  ixpk= 270, nxpk= 20, iat=  -1,1296, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1290,1291,1341,1357,
 &end
#
#   83 ASN  HA           84 PRO  HA          6.00    (#    272:20  Unique         4.42, 4.42 A)
 &rst
  ixpk= 272, nxpk= 20, iat=1274,1296, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   98 TYR  HD1          98 TYR  HA          4.00    (#    273:20  Unique         2.03, 2.03 A)
 &rst
  ixpk= 273, nxpk= 20, iat=1529,1523, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:274     98 TYR  HA          5.00    (#    274:20  Single Ambig)
 &rst
  ixpk= 274, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1531,1536,
 &end
#
#    0 AMB  20-2:275     98 TYR  HA          5.00    (#    275:20  Single Ambig)
 &rst
  ixpk= 275, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1544,1453,
 &end
#
#   98 TYR  HB2          98 TYR  HA          4.00    (#    277:20  Unique         2.97, 2.97 A)
 &rst
  ixpk= 277, nxpk= 20, iat=1525,1523, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:278     98 TYR  HA          4.00    (#    278:20  Single Ambig)
 &rst
  ixpk= 278, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1526,1512,
 &end
#
#  101 ASN  HB3          98 TYR  HA          5.00    (#    279:20  Unique         3.90, 3.90 A)
 &rst
  ixpk= 279, nxpk= 20, iat=1573,1523, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:280     98 TYR  HA          6.00    (#    280:20  Single Ambig)
 &rst
  ixpk= 280, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1504,1587,1546,1631, 516,
 &end
#
#    0 AMB  20-2:281     98 TYR  HA          6.00    (#    281:20  Single Ambig)
 &rst
  ixpk= 281, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1504,1509,1503,1456, 516,
 &end
#
#    0 AMB  20-2:282     98 TYR  HA          6.00    (#    282:20  Single Ambig)
 &rst
  ixpk= 282, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1504,1510, 516,1604,
 &end
#
#    0 AMB  20-2:283     98 TYR  HA          6.00    (#    283:20  Single Ambig)
 &rst
  ixpk= 283, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1504, 516,1604,
 &end
#
#    0 AMB  20-2:284     98 TYR  HA          5.00    (#    284:20  Single Ambig)
 &rst
  ixpk= 284, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1504,1563,1562, 516,1604,
 &end
#
#    0 AMB  20-2:285     98 TYR  HA          6.00    (#    285:20  Single Ambig)
 &rst
  ixpk= 285, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1504,1506, 516,
 &end
#
#   97 LYS  HG3          98 TYR  HA          6.00    (#    286:20  Unique         3.05, 3.05 A)
 &rst
  ixpk= 286, nxpk= 20, iat=1507,1523, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:287     98 TYR  HA          5.00    (#    287:20  Single Ambig)
 &rst
  ixpk= 287, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1553,1552,1554,1549,1548,
 &end
#
#    0 AMB  20-2:288     98 TYR  HA          5.00    (#    288:20  Single Ambig)
 &rst
  ixpk= 288, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 571, 655, 569, 570,
 &end
#
#    0 AMB  20-2:289     98 TYR  HA          6.00    (#    289:20  Single Ambig)
 &rst
  ixpk= 289, nxpk= 20, iat=  -1,1523, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 500, 498, 499,
 &end
#
#   67 PRO  HD2          67 PRO  HA          4.00    (#    292:20  Unique         4.03, 4.03 A)
 &rst
  ixpk= 292, nxpk= 20, iat=1018,1027, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:293     67 PRO  HA          4.00    (#    293:20  Single Ambig)
 &rst
  ixpk= 293, nxpk= 20, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1018,1011,
 &end
#
#    0 AMB  20-2:294     67 PRO  HA          4.00    (#    294:20  Single Ambig)
 &rst
  ixpk= 294, nxpk= 20, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1018,1035,
 &end
#
#    0 AMB  20-2:295     67 PRO  HA          5.00    (#    295:20  Single Ambig)
 &rst
  ixpk= 295, nxpk= 20, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1018,1036,
 &end
#
#    0 AMB  20-2:296     67 PRO  HA          5.00    (#    296:20  Single Ambig)
 &rst
  ixpk= 296, nxpk= 20, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1019,1018,
 &end
#
#   67 PRO  HB2          67 PRO  HA          3.50    (#    297:20  Unique         2.73, 2.73 A)
 &rst
  ixpk= 297, nxpk= 20, iat=1024,1027, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 GLN  HB2          67 PRO  HA          4.20    (#    298:20  Unique         7.51, 7.51 A #relfrom4.0to4.2on0927)
 &rst
  ixpk= 298, nxpk= 20, iat=1071,1027, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  20-2:300     67 PRO  HA          4.20    (#    300:20  Single Ambig #releasedfrom4.0to4.2on0927)
 &rst
  ixpk= 300, nxpk= 20, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 989,1071,
 &end
#
#    0 AMB  20-2:302     65 LYS  HA          5.00    (#    302:20  Single Ambig)
 &rst
  ixpk= 302, nxpk= 20, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 929, 953,1018,
 &end
#
#    0 AMB  20-2:303     65 LYS  HA          5.00    (#    303:20  Single Ambig)
 &rst
  ixpk= 303, nxpk= 20, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 997, 998,1018,
 &end
#
#   65 LYS  HB2          65 LYS  HA          3.50    (#    304:20  Unique         2.99, 2.99 A)
 &rst
  ixpk= 304, nxpk= 20, iat= 988, 986, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:306     65 LYS  HA          3.50    (#    306:20  Single Ambig)
 &rst
  ixpk= 306, nxpk= 20, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 992, 325, 327,
 &end
#
#    0 AMB  20-2:307     65 LYS  HA          6.00    (#    307:20  Single Ambig)
 &rst
  ixpk= 307, nxpk= 20, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 915, 957, 302,
 &end
#
#    0 AMB  20-2:308     65 LYS  HA          3.00    (#    308:20  Single Ambig)
 &rst
  ixpk= 308, nxpk= 20, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 241, 243, 242, 974, 917,
 &end
#
#   53 SER  HA           54 PRO  HA          6.00    (#    309:20  Unique         4.97, 4.97 A)
 &rst
  ixpk= 309, nxpk= 20, iat= 797, 816, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:310     54 PRO  HA          4.00    (#    310:20  Single Ambig)
 &rst
  ixpk= 310, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 807, 799,
 &end
#
#    0 AMB  20-2:311     54 PRO  HA          4.00    (#    311:20  Single Ambig)
 &rst
  ixpk= 311, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 808, 843,
 &end
#
#    0 AMB  20-2:312     54 PRO  HA          5.00    (#    312:20  Single Ambig)
 &rst
  ixpk= 312, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 811, 810,
 &end
#
#    0 AMB  20-2:313     54 PRO  HA          3.00    (#    313:20  Single Ambig)
 &rst
  ixpk= 313, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 811, 813, 810,
 &end
#
#    0 AMB  20-2:314     54 PRO  HA          3.50    (#    314:20  Single Ambig)
 &rst
  ixpk= 314, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 811, 810,
 &end
#
#    0 AMB  20-2:315     54 PRO  HA          3.50    (#    315:20  Single Ambig)
 &rst
  ixpk= 315, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 814, 811,
 &end
#
#    0 AMB  20-2:316     54 PRO  HA          5.00    (#    316:20  Single Ambig)
 &rst
  ixpk= 316, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 811, 810, 848,
 &end
#
#    0 AMB  20-2:317     54 PRO  HA          4.00    (#    317:20  Single Ambig)
 &rst
  ixpk= 317, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 846, 811, 845,
 &end
#
#    0 AMB  20-2:318     54 PRO  HA          4.00    (#    318:20  Single Ambig)
 &rst
  ixpk= 318, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 854, 125, 126,
 &end
#
#    0 AMB  20-2:319     54 PRO  HA          6.00    (#    319:20  Single Ambig)
 &rst
  ixpk= 319, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 811, 810,
 &end
#
#    0 AMB  20-2:320     54 PRO  HA          6.00    (#    320:20  Single Ambig)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 811, 810,
 &end
#
#   99 VAL  HA          100 ALA  HA          5.00    (#    324:20  Unique         4.62, 4.62 A)
 &rst
  ixpk= 324, nxpk= 20, iat=1544,1560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:325    100 ALA  HA          6.00    (#    325:20  Single Ambig)
 &rst
  ixpk= 325, nxpk= 20, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1572,1606,1526,
 &end
#
#    0 AMB  20-2:326    100 ALA  HA          6.00    (#    326:20  Single Ambig)
 &rst
  ixpk= 326, nxpk= 20, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1573,1606,
 &end
#
#    0 AMB  20-2:327    100 ALA  HA          5.00    (#    327:20  Single Ambig)
 &rst
  ixpk= 327, nxpk= 20, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1604,1546,1603,1606,
 &end
#
#    0 AMB  20-2:328    100 ALA  HA          6.00    (#    328:20  Single Ambig)
 &rst
  ixpk= 328, nxpk= 20, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1604,1606,
 &end
#
#    0 AMB  20-2:329    100 ALA  HA          3.00    (#    329:20  Single Ambig)
 &rst
  ixpk= 329, nxpk= 20, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1562,1564,1563,
 &end
#
#    0 AMB  20-2:330    100 ALA  HA          5.00    (#    330:20  Single Ambig)
 &rst
  ixpk= 330, nxpk= 20, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1553,1552,1554,
 &end
#
#   55 SER  HB2          55 SER  HA          3.00    (#    331:20  Unique         2.51, 2.51 A)
 &rst
  ixpk= 331, nxpk= 20, iat= 824, 822, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   55 SER  HB3          55 SER  HA          3.00    (#    332:20  Unique         2.37, 2.37 A)
 &rst
  ixpk= 332, nxpk= 20, iat= 825, 822, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:333     55 SER  HA          5.00    (#    333:20  Single Ambig)
 &rst
  ixpk= 333, nxpk= 20, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 811, 810, 720,
 &end
#
#    0 AMB  20-2:334     55 SER  HA          5.00    (#    334:20  Single Ambig)
 &rst
  ixpk= 334, nxpk= 20, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 811, 810,
 &end
#
#    0 AMB  20-2:335     55 SER  HA          4.00    (#    335:20  Single Ambig)
 &rst
  ixpk= 335, nxpk= 20, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 864, 811, 810,
 &end
#
#    0 AMB  20-2:336     55 SER  HA          4.50    (#    336:20  Single Ambig  releasedfrom4.0to4.5on0927)
 &rst
  ixpk= 336, nxpk= 20, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 811, 810,
 &end
#
#    0 AMB  20-2:337     55 SER  HA          6.00    (#    337:20  Single Ambig)
 &rst
  ixpk= 337, nxpk= 20, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 836, 835, 837, 811, 810,
 &end
#
#    0 AMB  20-2:338     55 SER  HA          5.00    (#    338:20  Single Ambig)
 &rst
  ixpk= 338, nxpk= 20, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 855, 854, 856,1208, 193,
 &end
#
#   69 SER  HA           68 SER  HA          6.00    (#    339:20  Unique         4.68, 4.68 A)
 &rst
  ixpk= 339, nxpk= 20, iat=1044,1033, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:340      0 AMB  20-1:340    5.00    (#    340:20  Double Ambig)
 &rst
  ixpk= 340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1355,1046,1018,
 igr2=1302,1033,
 &end
#
#    0 AMB  20-2:341      0 AMB  20-1:341    5.00    (#    341:20  Double Ambig)
 &rst
  ixpk= 341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=1018, 348,1338, 347, 967,
 igr2=1033,1302,
 &end
#
#   68 SER  HB2          68 SER  HA          3.50    (#    342:20  Unique         2.42, 2.42 A)
 &rst
  ixpk= 342, nxpk= 20, iat=1035,1033, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 SER  HB3          68 SER  HA          3.50    (#    343:20  Unique         2.47, 2.47 A)
 &rst
  ixpk= 343, nxpk= 20, iat=1036,1033, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:344      0 AMB  20-1:344    5.00    (#    344:20  Double Ambig)
 &rst
  ixpk= 344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1290,1341,1291,1075,
 igr2=1302,1033,
 &end
#
#    0 AMB  20-2:345      0 AMB  20-1:345    5.00    (#    345:20  Double Ambig)
 &rst
  ixpk= 345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=1290,1024,1071,1341,1291,
 igr2=1302,1033,
 &end
#
#    0 AMB  20-2:346     68 SER  HA          6.00    (#    346:20  Single Ambig)
 &rst
  ixpk= 346, nxpk= 20, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 337, 339, 338,
 &end
#
#    0 AMB  20-2:347     56 ALA  HA          5.00    (#    347:20  Single Ambig)
 &rst
  ixpk= 347, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1266, 879,
 &end
#
#    0 AMB  20-2:348     56 ALA  HA          5.00    (#    348:20  Single Ambig)
 &rst
  ixpk= 348, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 824,1266, 843,
 &end
#
#    0 AMB  20-2:349     56 ALA  HA          5.00    (#    349:20  Single Ambig)
 &rst
  ixpk= 349, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1266, 825, 800,1222,
 &end
#
#   59 ASP  HB2          56 ALA  HA          4.00    (#    350:20  Unique         2.42, 2.42 A)
 &rst
  ixpk= 350, nxpk= 20, iat= 881, 833, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 ASP  HB3          56 ALA  HA          4.00    (#    351:20  Unique         3.54, 3.54 A)
 &rst
  ixpk= 351, nxpk= 20, iat= 882, 833, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:352     56 ALA  HA          3.00    (#    352:20  Single Ambig)
 &rst
  ixpk= 352, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 835, 837, 836,
 &end
#
#    0 AMB  20-2:353     56 ALA  HA          5.00    (#    353:20  Single Ambig)
 &rst
  ixpk= 353, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1211,1328,
 &end
#
#    0 AMB  20-2:354     56 ALA  HA          4.00    (#    354:20  Single Ambig)
 &rst
  ixpk= 354, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1208,1209,1211,1207,
 &end
#
#    0 AMB  20-2:355     56 ALA  HA          5.00    (#    355:20  Single Ambig)
 &rst
  ixpk= 355, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1211,1215,1216,
 &end
#
#   69 SER  HA           69 SER  HB3         4.00    (#    356:20  Unique         2.54, 2.54 A)
 &rst
  ixpk= 356, nxpk= 20, iat=1044,1047, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   69 SER  HB2          69 SER  HB3         3.00    (#    357:20  Unique         1.75, 1.75 A)
 &rst
  ixpk= 357, nxpk= 20, iat=1046,1047, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:358     69 SER  HB3         4.00    (#    358:20  Single Ambig)
 &rst
  ixpk= 358, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1054,1018,
 &end
#
#    0 AMB  20-2:359     69 SER  HB3         5.00    (#    359:20  Single Ambig)
 &rst
  ixpk= 359, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1018,1036,
 &end
#
#    0 AMB  20-2:360     69 SER  HB3         6.00    (#    360:20  Single Ambig)
 &rst
  ixpk= 360, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1021,1022,
 &end
#
#    0 AMB  20-2:361     69 SER  HB3         5.00    (#    361:20  Single Ambig)
 &rst
  ixpk= 361, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1075,1071,1074,1058,1072,
 &end
#
#   10 LEU  HA           86 LEU  HA          4.50    (#    363:20  Unique         4.88, 4.88 A)
 &rst
  ixpk= 363, nxpk= 20, iat= 136,1319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:364     86 LEU  HA          6.00    (#    364:20  Single Ambig)
 &rst
  ixpk= 364, nxpk= 20, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1338,  83,
 &end
#
#    0 AMB  20-2:365     86 LEU  HA          6.00    (#    365:20  Single Ambig)
 &rst
  ixpk= 365, nxpk= 20, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1375,1222,
 &end
#
#    0 AMB  20-2:366     86 LEU  HA          6.00    (#    366:20  Single Ambig)
 &rst
  ixpk= 366, nxpk= 20, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1277,1344,
 &end
#
#    0 AMB  20-2:367     86 LEU  HA          6.00    (#    367:20  Single Ambig)
 &rst
  ixpk= 367, nxpk= 20, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1341,1276,1343,1344,1290,
 &end
#
#    0 AMB  20-2:368     86 LEU  HA          6.00    (#    368:20  Single Ambig)
 &rst
  ixpk= 368, nxpk= 20, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1341,1307,1344,1290,
 &end
#
#   86 LEU  HB3          86 LEU  HA          4.00    (#    369:20  Unique         2.98, 2.98 A)
 &rst
  ixpk= 369, nxpk= 20, iat=1322,1319, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 LEU  HB2          86 LEU  HA          3.50    (#    370:20  Unique         2.36, 2.36 A)
 &rst
  ixpk= 370, nxpk= 20, iat=1321,1319, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:372     86 LEU  HA          3.50    (#    372:20  Single Ambig)
 &rst
  ixpk= 372, nxpk= 20, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1368,1367,1369,
 &end
#
#    0 AMB  20-2:374     86 LEU  HA          3.50    (#    374:20  Single Ambig)
 &rst
  ixpk= 374, nxpk= 20, iat=  -1,1319, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 144, 145,
 &end
#
#   98 TYR  HD2          95 THR  HB          6.00    (#    377:20  Unique         4.48, 4.48 A)
 &rst
  ixpk= 377, nxpk= 20, iat=1538,1479, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   43 ALA  HA           95 THR  HB          4.00    (#    378:20  Unique         3.04, 3.04 A)
 &rst
  ixpk= 378, nxpk= 20, iat= 632,1479, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 THR  HA           95 THR  HB          4.00    (#    380:20  Unique         2.28, 2.28 A)
 &rst
  ixpk= 380, nxpk= 20, iat=1477,1479, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:381     95 THR  HB          6.00    (#    381:20  Single Ambig)
 &rst
  ixpk= 381, nxpk= 20, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 513,1395,
 &end
#
#    0 AMB  20-2:382     95 THR  HB          6.00    (#    382:20  Single Ambig)
 &rst
  ixpk= 382, nxpk= 20, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1525,1425,1426,
 &end
#
#    0 AMB  20-2:383     95 THR  HB          6.00    (#    383:20  Single Ambig)
 &rst
  ixpk= 383, nxpk= 20, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1425,1426,
 &end
#
#    0 AMB  20-2:384     95 THR  HB          6.00    (#    384:20  Single Ambig)
 &rst
  ixpk= 384, nxpk= 20, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1546,1422, 563,
 &end
#
#    0 AMB  20-2:385     95 THR  HB          5.00    (#    385:20  Single Ambig)
 &rst
  ixpk= 385, nxpk= 20, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1422,1423,1504,1607,
 &end
#
#    0 AMB  20-2:386     95 THR  HB          6.00    (#    386:20  Single Ambig)
 &rst
  ixpk= 386, nxpk= 20, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1420,1422, 496,1419,1423,
 &end
#
#    0 AMB  20-2:387     95 THR  HB          5.00    (#    387:20  Single Ambig)
 &rst
  ixpk= 387, nxpk= 20, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1420,1422,1493,1419,1494,1423,1495,
 &end
#
#    0 AMB  20-2:388     95 THR  HB          3.50    (#    388:20  Single Ambig)
 &rst
  ixpk= 388, nxpk= 20, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1481,1483,1482,
 &end
#
#    0 AMB  20-2:389     95 THR  HB          4.00    (#    389:20  Single Ambig)
 &rst
  ixpk= 389, nxpk= 20, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 569, 654, 571, 570, 655,1420,
 &end
#
#    0 AMB  20-2:390     95 THR  HB          6.00    (#    390:20  Single Ambig)
 &rst
  ixpk= 390, nxpk= 20, iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 499, 500, 498,
 &end
#
#   59 ASP  HA           63 THR  HB          5.00    (#    391:20  Unique         5.23, 5.23 A)
 &rst
  ixpk= 391, nxpk= 20, iat= 879, 955, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 VAL  HA           63 THR  HB          6.00    (#    393:20  Unique         4.32, 4.32 A)
 &rst
  ixpk= 393, nxpk= 20, iat=1154, 955, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 ASP  HB3          63 THR  HB          6.00    (#    394:20  Unique         5.07, 5.07 A)
 &rst
  ixpk= 394, nxpk= 20, iat= 882, 955, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:398     63 THR  HB          5.00    (#    398:20  Single Ambig)
 &rst
  ixpk= 398, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 894,1156,1143,
 &end
#
#   60 LEU  HG           63 THR  HB          5.00    (#    399:20  Unique         4.32, 4.32 A)
 &rst
  ixpk= 399, nxpk= 20, iat= 896, 955, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:400     63 THR  HB          5.00    (#    400:20  Single Ambig)
 &rst
  ixpk= 400, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 896, 935, 934,1211, 932,
 &end
#
#    0 AMB  20-2:401     63 THR  HB          5.00    (#    401:20  Single Ambig)
 &rst
  ixpk= 401, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 896,1205, 935, 934, 972,1211,
 &end
#
#    0 AMB  20-2:402     63 THR  HB          6.00    (#    402:20  Single Ambig)
 &rst
  ixpk= 402, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 896, 935, 934,1211,1227,
 &end
#
#    0 AMB  20-2:403     63 THR  HB          5.00    (#    403:20  Single Ambig)
 &rst
  ixpk= 403, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 896, 893, 935, 934, 239,1211,
 &end
#
#    0 AMB  20-2:404     63 THR  HB          6.00    (#    404:20  Single Ambig)
 &rst
  ixpk= 404, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 896, 935, 934,1211,
 &end
#
#    0 AMB  20-2:405     63 THR  HB          3.50    (#    405:20  Single Ambig)
 &rst
  ixpk= 405, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 959, 957, 958,
 &end
#
#    0 AMB  20-2:406     63 THR  HB          4.00    (#    406:20  Single Ambig)
 &rst
  ixpk= 406, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1159, 247, 896,1158,1160, 246, 245,
 &end
#
#    0 AMB  20-2:407     63 THR  HB          4.00    (#    407:20  Single Ambig)
 &rst
  ixpk= 407, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1215,1214,1216,
 &end
#
#    0 AMB  20-2:408     63 THR  HB          6.00    (#    408:20  Single Ambig)
 &rst
  ixpk= 408, nxpk= 20, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1162,1211,1164,1163,
 &end
#
#   90 PHE  HA           89 ALA  HA          6.00    (#    410:20  Unique         5.01, 5.01 A)
 &rst
  ixpk= 410, nxpk= 20, iat=1375,1365, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:412     89 ALA  HA          6.00    (#    412:20  Single Ambig)
 &rst
  ixpk= 412, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1441,1442,1341,
 &end
#
#    0 AMB  20-2:413     89 ALA  HA          6.00    (#    413:20  Single Ambig)
 &rst
  ixpk= 413, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1416,1441,1442,
 &end
#
#    0 AMB  20-2:415     89 ALA  HA          5.00    (#    415:20  Single Ambig)
 &rst
  ixpk= 415, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1441,1419,1442,1423,1422,1420, 255, 693,1341,
 &end
#
#    0 AMB  20-2:416     89 ALA  HA          4.00    (#    416:20  Single Ambig)
 &rst
  ixpk= 416, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1419,1423,1422,1420,1321,1341,
 &end
#
#    0 AMB  20-2:417     89 ALA  HA          3.00    (#    417:20  Single Ambig)
 &rst
  ixpk= 417, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1367,1369,1368,
 &end
#
#    0 AMB  20-2:418     89 ALA  HA          5.00    (#    418:20  Single Ambig)
 &rst
  ixpk= 418, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1419,1423,1422,1420,1341,
 &end
#
#    0 AMB  20-2:419     89 ALA  HA          4.00    (#    419:20  Single Ambig)
 &rst
  ixpk= 419, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 145,1419,1399, 144, 143,1420,1401,
 &end
#
#    0 AMB  20-2:422     96 ALA  HA          5.00    (#    422:20  Single Ambig)
 &rst
  ixpk= 422, nxpk= 20, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1477, 275,
 &end
#
#    0 AMB  20-2:424     96 ALA  HA          6.00    (#    424:20  Single Ambig)
 &rst
  ixpk= 424, nxpk= 20, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1504,1441,1442,1455,1607,
 &end
#
#    0 AMB  20-2:425     96 ALA  HA          6.00    (#    425:20  Single Ambig)
 &rst
  ixpk= 425, nxpk= 20, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1504,1503,1420,1442,1419,
 &end
#
#    0 AMB  20-2:426     96 ALA  HA          3.00    (#    426:20  Single Ambig)
 &rst
  ixpk= 426, nxpk= 20, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1493,1495,1494,
 &end
#
#    0 AMB  20-2:427     96 ALA  HA          5.00    (#    427:20  Single Ambig)
 &rst
  ixpk= 427, nxpk= 20, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1482,1483,1420,1481,1506,1419, 502,
 &end
#
#    0 AMB  20-2:428     96 ALA  HA          4.00    (#    428:20  Single Ambig)
 &rst
  ixpk= 428, nxpk= 20, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1548,1550,1420,1549,
 &end
#
#    0 AMB  20-2:429     75 GLN  HA          5.00    (#    429:20  Single Ambig)
 &rst
  ixpk= 429, nxpk= 20, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1189,1103,
 &end
#
#    0 AMB  20-2:432     75 GLN  HA          6.00    (#    432:20  Single Ambig)
 &rst
  ixpk= 432, nxpk= 20, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1103,1203,
 &end
#
#   76 VAL  HA           75 GLN  HA          6.00    (#    433:20  Unique         4.71, 4.71 A)
 &rst
  ixpk= 433, nxpk= 20, iat=1154,1137, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   78 ASN  HB3          75 GLN  HA          4.00    (#    434:20  Unique         3.61, 3.61 A)
 &rst
  ixpk= 434, nxpk= 20, iat=1192,1137, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:435     75 GLN  HA          4.00    (#    435:20  Single Ambig)
 &rst
  ixpk= 435, nxpk= 20, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1191,1126,1125,
 &end
#
#    0 AMB  20-2:436     75 GLN  HA          3.50    (#    436:20  Single Ambig)
 &rst
  ixpk= 436, nxpk= 20, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1142,1122,1126,1125,1123,1072,
 &end
#
#   75 GLN  HB2          75 GLN  HA          3.00    (#    438:20  Unique         2.40, 2.40 A)
 &rst
  ixpk= 438, nxpk= 20, iat=1139,1137, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   75 GLN  HB3          75 GLN  HA          3.00    (#    439:20  Unique         2.41, 2.41 A)
 &rst
  ixpk= 439, nxpk= 20, iat=1140,1137, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:440     75 GLN  HA          4.00    (#    440:20  Single Ambig)
 &rst
  ixpk= 440, nxpk= 20, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1122,1126,1125,1123,1205,1072,1211,
 &end
#
#    0 AMB  20-2:441     75 GLN  HA          6.00    (#    441:20  Single Ambig)
 &rst
  ixpk= 441, nxpk= 20, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 958, 959, 957,1211,
 &end
#
#    0 AMB  20-2:442     75 GLN  HA          6.00    (#    442:20  Single Ambig)
 &rst
  ixpk= 442, nxpk= 20, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1159,1211,1158,1160,1175,
 &end
#
#    0 AMB  20-2:443     75 GLN  HA          6.00    (#    443:20  Single Ambig)
 &rst
  ixpk= 443, nxpk= 20, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 416, 414, 415,1211,
 &end
#
#    0 AMB  20-2:444     75 GLN  HA          5.00    (#    444:20  Single Ambig)
 &rst
  ixpk= 444, nxpk= 20, iat=  -1,1137, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1214,1216,1215,1211,
 &end
#
#   59 ASP  HA           62 ARG  HA          6.00    (#    445:20  Unique         5.98, 5.98 A)
 &rst
  ixpk= 445, nxpk= 20, iat= 879, 929, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:446     62 ARG  HA          6.00    (#    446:20  Single Ambig)
 &rst
  ixpk= 446, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 986,1018,
 &end
#
#    0 AMB  20-2:447     62 ARG  HA          5.00    (#    447:20  Single Ambig)
 &rst
  ixpk= 447, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 938, 937,
 &end
#
#    0 AMB  20-2:448     62 ARG  HA          5.00    (#    448:20  Single Ambig)
 &rst
  ixpk= 448, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 997, 938, 998,
 &end
#
#    0 AMB  20-2:449     62 ARG  HA          3.00    (#    449:20  Single Ambig)
 &rst
  ixpk= 449, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 932, 935, 934,
 &end
#
#    0 AMB  20-2:450     62 ARG  HA          3.50    (#    450:20  Single Ambig)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 935, 934, 915,
 &end
#
#    0 AMB  20-2:451     62 ARG  HA          3.50    (#    451:20  Single Ambig)
 &rst
  ixpk= 451, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 935, 934, 989, 915,
 &end
#
#    0 AMB  20-2:452     62 ARG  HA          3.50    (#    452:20  Single Ambig)
 &rst
  ixpk= 452, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 935, 934, 915,
 &end
#
#    0 AMB  20-2:453     62 ARG  HA          4.00    (#    453:20  Single Ambig)
 &rst
  ixpk= 453, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 935, 934, 915,
 &end
#
#    0 AMB  20-2:454     62 ARG  HA          5.00    (#    454:20  Single Ambig)
 &rst
  ixpk= 454, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 243, 242, 915, 241, 917, 919, 918,
 &end
#
#   83 ASN  HA           52 ILE  HA          6.00    (#    456:20  Unique         5.20, 5.20 A)
 &rst
  ixpk= 456, nxpk= 20, iat=1274, 778, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:457     52 ILE  HA          6.00    (#    457:20  Single Ambig)
 &rst
  ixpk= 457, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 729, 797,
 &end
#
#    0 AMB  20-2:458     52 ILE  HA          5.00    (#    458:20  Single Ambig)
 &rst
  ixpk= 458, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 767,1263,
 &end
#
#    0 AMB  20-2:459     52 ILE  HA          6.00    (#    459:20  Single Ambig)
 &rst
  ixpk= 459, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 723,1266,
 &end
#
#    0 AMB  20-2:460     52 ILE  HA          6.00    (#    460:20  Single Ambig)
 &rst
  ixpk= 460, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1266, 816, 715,
 &end
#
#    0 AMB  20-2:461     52 ILE  HA          5.00    (#    461:20  Single Ambig)
 &rst
  ixpk= 461, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1265, 743,1266, 715,  68,
 &end
#
#    0 AMB  20-2:462     52 ILE  HA          5.00    (#    462:20  Single Ambig)
 &rst
  ixpk= 462, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 770, 769,1287, 800,1266, 715,
 &end
#
#    0 AMB  20-2:463     52 ILE  HA          5.00    (#    463:20  Single Ambig)
 &rst
  ixpk= 463, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 720, 810, 811,
 &end
#
#    0 AMB  20-2:464     52 ILE  HA          5.00    (#    464:20  Single Ambig)
 &rst
  ixpk= 464, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 810, 811, 746, 745,
 &end
#
#    0 AMB  20-2:465     52 ILE  HA          5.00    (#    465:20  Single Ambig)
 &rst
  ixpk= 465, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 721, 810, 718, 811, 717,
 &end
#
#   52 ILE  HB           52 ILE  HA          4.00    (#    466:20  Unique         2.99, 2.99 A)
 &rst
  ixpk= 466, nxpk= 20, iat= 780, 778, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:467     52 ILE  HA          4.00    (#    467:20  Single Ambig)
 &rst
  ixpk= 467, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 786, 810,
 &end
#
#    0 AMB  20-2:468     52 ILE  HA          6.00    (#    468:20  Single Ambig)
 &rst
  ixpk= 468, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 810, 811, 836, 746, 835,
 &end
#
#   52 ILE  HG13         52 ILE  HA          4.50    (#    469:20  Unique  3.83, 3.83 A released0919from4to4.5)
 &rst
  ixpk= 469, nxpk= 20, iat= 787, 778, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:470     52 ILE  HA          3.00    (#    470:20  Single Ambig)
 &rst
  ixpk= 470, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 783, 782, 784,
 &end
#
#    0 AMB  20-2:472     52 ILE  HA          6.00    (#    472:20  Single Ambig)
 &rst
  ixpk= 472, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 732,1277,
 &end
#
#    0 AMB  20-2:473     52 ILE  HA          6.00    (#    473:20  Single Ambig)
 &rst
  ixpk= 473, nxpk= 20, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1276, 810, 811,
 &end
#
#    0 AMB  20-2:475     88 ALA  HA          5.50    (#    475:20  Single Ambigreleasedon0619spindiff?)
 &rst
  ixpk= 475, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1302,1319,
 &end
#
#   87 MET  HA           88 ALA  HA          6.00    (#    476:20  Unique         4.72, 4.72 A)
 &rst
  ixpk= 476, nxpk= 20, iat=1338,1355, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:478     88 ALA  HA          6.00    (#    478:20  Single Ambig)
 &rst
  ixpk= 478, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1395, 205,
 &end
#
#    0 AMB  20-2:479     88 ALA  HA          6.00    (#    479:20  Single Ambig)
 &rst
  ixpk= 479, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1344,1377,1426,
 &end
#
#    0 AMB  20-2:480     88 ALA  HA          6.00    (#    480:20  Single Ambig)
 &rst
  ixpk= 480, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1341,1343,1344,
 &end
#
#    0 AMB  20-2:481     88 ALA  HA          5.00    (#    481:20  Single Ambig)
 &rst
  ixpk= 481, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1341,1344,
 &end
#
#    0 AMB  20-2:482     88 ALA  HA          6.00    (#    482:20  Single Ambig)
 &rst
  ixpk= 482, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1341,1344,1438,
 &end
#
#    0 AMB  20-2:483     88 ALA  HA          4.00    (#    483:20  Single Ambig)
 &rst
  ixpk= 483, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1397,1341,
 &end
#
#    0 AMB  20-2:484     88 ALA  HA          5.00    (#    484:20  Single Ambig)
 &rst
  ixpk= 484, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1403,1341,1423,1344,1422,
 &end
#
#    0 AMB  20-2:485     88 ALA  HA          6.00    (#    485:20  Single Ambig)
 &rst
  ixpk= 485, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1341,1423,1344,1422,1419,
 &end
#
#    0 AMB  20-2:486     88 ALA  HA          6.00    (#    486:20  Single Ambig)
 &rst
  ixpk= 486, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1341,1423,1422, 471,1419,
 &end
#
#    0 AMB  20-2:487     88 ALA  HA          3.00    (#    487:20  Single Ambig)
 &rst
  ixpk= 487, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1357,1359,1358,
 &end
#
#    0 AMB  20-2:488     88 ALA  HA          6.00    (#    488:20  Single Ambig)
 &rst
  ixpk= 488, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1341,1423,1422,1419,
 &end
#
#    0 AMB  20-2:489     88 ALA  HA          6.00    (#    489:20  Single Ambig)
 &rst
  ixpk= 489, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 507,1419, 503, 505, 258,
 &end
#
#    0 AMB  20-2:490     88 ALA  HA          4.00    (#    490:20  Single Ambig)
 &rst
  ixpk= 490, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1406,1407,
 &end
#
#    0 AMB  20-2:491     88 ALA  HA          5.00    (#    491:20  Single Ambig)
 &rst
  ixpk= 491, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1401,1399,1400,1330, 550, 551,1419,
 &end
#
#   67 PRO  HD2          66 SER  HB2         6.00    (#    499:20  Unique         2.15, 2.15 A)
 &rst
  ixpk= 499, nxpk= 20, iat=1018,1010, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 PRO  HD2          66 SER  HB2         5.00    (#    500:20  Unique         2.15, 2.15 A)
 &rst
  ixpk= 500, nxpk= 20, iat=1018,1010, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 PRO  HD2          66 SER  HB2         4.00    (#    501:20  Unique         2.15, 2.15 A)
 &rst
  ixpk= 501, nxpk= 20, iat=1018,1010, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:502     66 SER  HB2         4.00    (#    502:20  Single Ambig)
 &rst
  ixpk= 502, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1018,1019,
 &end
#
#    0 AMB  20-2:503     66 SER  HB2         6.00    (#    503:20  Single Ambig)
 &rst
  ixpk= 503, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1074,1075,
 &end
#
#    0 AMB  20-2:504     66 SER  HB2         5.00    (#    504:20  Single Ambig)
 &rst
  ixpk= 504, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1071,1074,1075,1072,
 &end
#
#    0 AMB  20-2:505     66 SER  HB2         6.00    (#    505:20  Single Ambig)
 &rst
  ixpk= 505, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1024,1071,1074,1075,1072,
 &end
#
#    0 AMB  20-2:506     66 SER  HB2         5.00    (#    506:20  Single Ambig)
 &rst
  ixpk= 506, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1021,1022,1071,1074,1075,
 &end
#
#    0 AMB  20-2:507     66 SER  HB2         5.00    (#    507:20  Single Ambig)
 &rst
  ixpk= 507, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1071,1074,1075,1072,
 &end
#
#    0 AMB  20-2:508     66 SER  HB2         4.00    (#    508:20  Single Ambig)
 &rst
  ixpk= 508, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 931, 988, 935,1071,1074,1075,1072,
 &end
#
#    0 AMB  20-2:509     66 SER  HB2         6.00    (#    509:20  Single Ambig)
 &rst
  ixpk= 509, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 935, 989,1071,1074,1075,1072, 934,
 &end
#
#    0 AMB  20-2:510     66 SER  HB2         6.00    (#    510:20  Single Ambig)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 935, 337, 958, 339, 338, 957, 934,
 &end
#
#    0 AMB  20-2:515     54 PRO  HD2         3.50    (#    515:20  Single Ambig)
 &rst
  ixpk= 515, nxpk= 20, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 797, 729,
 &end
#
#    0 AMB  20-2:516     54 PRO  HD2         5.00    (#    516:20  Single Ambig)
 &rst
  ixpk= 516, nxpk= 20, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 816,   6, 715,
 &end
#
#    0 AMB  20-2:517     54 PRO  HD2         6.00    (#    517:20  Single Ambig)
 &rst
  ixpk= 517, nxpk= 20, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 715,1266,
 &end
#
#   48 PRO  HD3          54 PRO  HD2         6.00    (#    518:20  Unique         6.00, 6.00 A)
 &rst
  ixpk= 518, nxpk= 20, iat= 715, 807, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:519     54 PRO  HD2         5.00    (#    519:20  Single Ambig)
 &rst
  ixpk= 519, nxpk= 20, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 810, 813, 811,
 &end
#
#    0 AMB  20-2:520     54 PRO  HD2         4.00    (#    520:20  Single Ambig)
 &rst
  ixpk= 520, nxpk= 20, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 810, 811,
 &end
#
#    0 AMB  20-2:521     54 PRO  HD2         4.00    (#    521:20  Single Ambig)
 &rst
  ixpk= 521, nxpk= 20, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 810, 811, 814,
 &end
#
#    0 AMB  20-2:522     54 PRO  HD2         5.00    (#    522:20  Single Ambig)
 &rst
  ixpk= 522, nxpk= 20, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 125, 124, 126, 782, 783, 854,
 &end
#
#    0 AMB  20-2:523     87 MET  HA          6.00    (#    523:20  Single Ambig)
 &rst
  ixpk= 523, nxpk= 20, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1387,1385,1383,
 &end
#
#    0 AMB  20-2:525      0 AMB  20-1:525    5.00    (#    525:20  Double Ambig)
 &rst
  ixpk= 525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1103,  28,1189, 723,
 igr2=1120, 743,
 &end
#
#   73 GLN  HA           74 GLN  HA          5.00    (#    526:20  Unique         4.30, 4.30 A)
 &rst
  ixpk= 526, nxpk= 20, iat=1103,1120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 GLN  HA           74 GLN  HA          5.00    (#    527:20  Unique         4.30, 4.30 A)
 &rst
  ixpk= 527, nxpk= 20, iat=1103,1120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   50 ARG  HD2          50 ARG  HA          5.00    (#    528:20  Unique         2.12, 2.12 A)
 &rst
  ixpk= 528, nxpk= 20, iat= 751, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:529     74 GLN  HA          5.00    (#    529:20  Single Ambig)
 &rst
  ixpk= 529, nxpk= 20, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1126,1125,
 &end
#
#    0 AMB  20-2:530     74 GLN  HA          3.50    (#    530:20  Single Ambig)
 &rst
  ixpk= 530, nxpk= 20, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1123,1122,1126,
 &end
#
#    0 AMB  20-2:531     87 MET  HA          3.00    (#    531:20  Single Ambig)
 &rst
  ixpk= 531, nxpk= 20, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1341,1344, 258,1347,
 &end
#
#    0 AMB  20-2:532     74 GLN  HA          4.00    (#    532:20  Single Ambig)
 &rst
  ixpk= 532, nxpk= 20, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1172,1123,1122,
 &end
#
#    0 AMB  20-2:533     50 ARG  HA          5.00    (#    533:20  Single Ambig)
 &rst
  ixpk= 533, nxpk= 20, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 745, 749, 748,
 &end
#
#    0 AMB  20-2:534     74 GLN  HA          5.00    (#    534:20  Single Ambig)
 &rst
  ixpk= 534, nxpk= 20, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1175,1177,1178,
 &end
#
#    0 AMB  20-2:535     74 GLN  HA          5.00    (#    535:20  Single Ambig)
 &rst
  ixpk= 535, nxpk= 20, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1182,1181,1183,
 &end
#
#    0 AMB  20-2:536      0 AMB  20-1:536    5.00    (#    536:20  Double Ambig)
 &rst
  ixpk= 536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1182, 408, 790,1181, 791, 409,1183, 789, 407,
 igr2=1120, 743,
 &end
#
#    0 AMB  20-2:539     97 LYS  HA          6.00    (#    539:20  Single Ambig)
 &rst
  ixpk= 539, nxpk= 20, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1529,1538,
 &end
#
#    0 AMB  20-2:541     97 LYS  HA          5.00    (#    541:20  Single Ambig)
 &rst
  ixpk= 541, nxpk= 20, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 297, 272,1560,
 &end
#
#    0 AMB  20-2:542     97 LYS  HA          5.00    (#    542:20  Single Ambig)
 &rst
  ixpk= 542, nxpk= 20, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1512,1513,
 &end
#
#    0 AMB  20-2:543     97 LYS  HA          6.00    (#    543:20  Single Ambig)
 &rst
  ixpk= 543, nxpk= 20, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1573,1442,
 &end
#
#   97 LYS  HB3          97 LYS  HA          6.00    (#    544:20  Unique         3.00, 3.00 A)
 &rst
  ixpk= 544, nxpk= 20, iat=1504,1501, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:545     97 LYS  HA          3.00    (#    545:20  Single Ambig)
 &rst
  ixpk= 545, nxpk= 20, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1509,1503,1504,
 &end
#
#    0 AMB  20-2:546     97 LYS  HA          4.00    (#    546:20  Single Ambig)
 &rst
  ixpk= 546, nxpk= 20, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1504,1494,1495,
 &end
#
#    0 AMB  20-2:547     97 LYS  HA          4.00    (#    547:20  Single Ambig)
 &rst
  ixpk= 547, nxpk= 20, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1504,1506,
 &end
#
#   97 LYS  HG3          97 LYS  HA          5.00    (#    548:20  Unique         3.24, 3.24 A)
 &rst
  ixpk= 548, nxpk= 20, iat=1507,1501, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:549     97 LYS  HA          6.00    (#    549:20  Single Ambig)
 &rst
  ixpk= 549, nxpk= 20, iat=  -1,1501, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1553, 366, 367,
 &end
#
#   53 SER  HA           53 SER  HB2         4.00    (#    562:20  Unique         2.99, 2.99 A)
 &rst
  ixpk= 562, nxpk= 20, iat= 797, 799, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:563     53 SER  HB2         5.50    (#    563:20  Single Ambig  released5.0to5.5on0925)
 &rst
  ixpk= 563, nxpk= 20, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=   6, 833,1266,
 &end
#
#    0 AMB  20-2:564     53 SER  HB2         6.00    (#    564:20  Single Ambig)
 &rst
  ixpk= 564, nxpk= 20, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 811, 810,
 &end
#
#    0 AMB  20-2:565     53 SER  HB2         6.00    (#    565:20  Single Ambig)
 &rst
  ixpk= 565, nxpk= 20, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 811, 122, 810, 814,
 &end
#
#    0 AMB  20-2:566     53 SER  HB2         6.00    (#    566:20  Single Ambig)
 &rst
  ixpk= 566, nxpk= 20, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 811, 122, 810, 780,
 &end
#
#    0 AMB  20-2:567     53 SER  HB2         4.00    (#    567:20  Single Ambig)
 &rst
  ixpk= 567, nxpk= 20, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 811, 122, 810, 836,
 &end
#
#    9 LEU  HG           53 SER  HB2         6.00    (#    568:20  Unique         4.56, 4.56 A)
 &rst
  ixpk= 568, nxpk= 20, iat= 122, 799, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:569     53 SER  HB2         5.00    (#    569:20  Single Ambig)
 &rst
  ixpk= 569, nxpk= 20, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 125, 124,
 &end
#
#    0 AMB  20-2:570     94 ARG  HA          5.00    (#    570:20  Single Ambig)
 &rst
  ixpk= 570, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1538,1383,1529,
 &end
#
#    0 AMB  20-2:571     94 ARG  HA          5.50    (#    571:20  Unique         4.53, 4.53 A #keepitsgood1015)
 &rst
  ixpk= 571, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1389,1381,
 &end
#
#    0 AMB  20-2:572     94 ARG  HA          6.00    (#    572:20  Single Ambig)
 &rst
  ixpk= 572, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1536,1531,
 &end
#
#    0 AMB  20-2:574     94 ARG  HA          6.00    (#    574:20  Single Ambig)
 &rst
  ixpk= 574, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1395, 205, 513,
 &end
#
#   94 ARG  HD2          94 ARG  HA          4.00    (#    575:20  Unique         2.12, 2.12 A)
 &rst
  ixpk= 575, nxpk= 20, iat=1461,1453, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:576     94 ARG  HA          4.00    (#    576:20  Single Ambig)
 &rst
  ixpk= 576, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1462,1442,
 &end
#
#    0 AMB  20-2:577     94 ARG  HA          4.00    (#    577:20  Single Ambig)
 &rst
  ixpk= 577, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1504,1455,
 &end
#
#   97 LYS  HB3          94 ARG  HA          6.00    (#    578:20  Unique         2.59, 2.59 A)
 &rst
  ixpk= 578, nxpk= 20, iat=1504,1453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:579     94 ARG  HA          4.00    (#    579:20  Single Ambig)
 &rst
  ixpk= 579, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1456,1504,1503,
 &end
#
#    0 AMB  20-2:580     94 ARG  HA          4.00    (#    580:20  Single Ambig)
 &rst
  ixpk= 580, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1504,1458,
 &end
#
#    0 AMB  20-2:581     94 ARG  HA          5.00    (#    581:20  Single Ambig)
 &rst
  ixpk= 581, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1504,1459,
 &end
#
#    0 AMB  20-2:582     94 ARG  HA          5.00    (#    582:20  Single Ambig)
 &rst
  ixpk= 582, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1504,1506,
 &end
#
#    0 AMB  20-2:583     94 ARG  HA          5.00    (#    583:20  Single Ambig)
 &rst
  ixpk= 583, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1507, 256, 258,
 &end
#
#    0 AMB  20-2:584     94 ARG  HA          5.00    (#    584:20  Single Ambig)
 &rst
  ixpk= 584, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 506, 507, 503, 505, 258,
 &end
#
#    0 AMB  20-2:585     94 ARG  HA          5.00    (#    585:20  Single Ambig)
 &rst
  ixpk= 585, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 366, 367, 365, 571, 569, 570, 362, 363, 361, 567,
       565, 566,
 &end
#
#    0 AMB  20-2:586     94 ARG  HA          5.00    (#    586:20  Single Ambig)
 &rst
  ixpk= 586, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 500, 498, 499, 260,
 &end
#
#    0 AMB  20-2:588     66 SER  HB3         5.00    (#    588:20  Single Ambig)
 &rst
  ixpk= 588, nxpk= 20, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1018, 986,
 &end
#
#   67 PRO  HD2          66 SER  HB3         5.00    (#    589:20  Unique         3.77, 3.77 A)
 &rst
  ixpk= 589, nxpk= 20, iat=1018,1011, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   67 PRO  HD2          66 SER  HB3         6.00    (#    590:20  Unique         3.77, 3.77 A)
 &rst
  ixpk= 590, nxpk= 20, iat=1018,1011, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:591     66 SER  HB3         6.00    (#    591:20  Single Ambig)
 &rst
  ixpk= 591, nxpk= 20, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1018, 938,
 &end
#
#    0 AMB  20-2:592     66 SER  HB3         5.00    (#    592:20  Single Ambig)
 &rst
  ixpk= 592, nxpk= 20, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1071,1074,1072,1075,1024,
 &end
#
#    0 AMB  20-2:593     66 SER  HB3         4.00    (#    593:20  Single Ambig)
 &rst
  ixpk= 593, nxpk= 20, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1071,1074,1072,1075,
 &end
#
#    0 AMB  20-2:594     66 SER  HB3         6.00    (#    594:20  Single Ambig)
 &rst
  ixpk= 594, nxpk= 20, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 935, 969, 932, 934,1071,1074,1072,
 &end
#
#    0 AMB  20-2:595     66 SER  HB3         6.00    (#    595:20  Single Ambig)
 &rst
  ixpk= 595, nxpk= 20, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 935, 934,
 &end
#
#    0 AMB  20-2:596     66 SER  HB3         6.00    (#    596:20  Single Ambig)
 &rst
  ixpk= 596, nxpk= 20, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 935, 957, 958, 934, 959,
 &end
#
#   63 THR  HB           60 LEU  HA          5.00    (#    598:20  Unique         2.11, 2.11 A)
 &rst
  ixpk= 598, nxpk= 20, iat= 955, 891, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 ILE  HA           60 LEU  HA          6.00    (#    600:20  Unique         6.01, 6.01 A)
 &rst
  ixpk= 600, nxpk= 20, iat=1203, 891, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 VAL  HA           60 LEU  HA          6.00    (#    601:20  Unique         4.64, 4.64 A)
 &rst
  ixpk= 601, nxpk= 20, iat=1154, 891, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 ASP  HB2          60 LEU  HA          6.00    (#    602:20  Unique         4.96, 4.96 A)
 &rst
  ixpk= 602, nxpk= 20, iat= 881, 891, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 ASP  HB3          60 LEU  HA          6.00    (#    603:20  Unique         4.04, 4.04 A)
 &rst
  ixpk= 603, nxpk= 20, iat= 882, 891, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:604     57 LEU  HA          6.00    (#    604:20  Single Ambig)
 &rst
  ixpk= 604, nxpk= 20, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 169, 811, 173,
 &end
#
#   60 LEU  HB3          60 LEU  HA          4.00    (#    605:20  Unique         2.99, 2.99 A)
 &rst
  ixpk= 605, nxpk= 20, iat= 894, 891, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:606     60 LEU  HA          5.00    (#    606:20  Single Ambig)
 &rst
  ixpk= 606, nxpk= 20, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 896,1205,1211, 934, 912,
 &end
#
#    0 AMB  20-2:607     60 LEU  HA          3.00    (#    607:20  Single Ambig)
 &rst
  ixpk= 607, nxpk= 20, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 893, 896,
 &end
#
#    0 AMB  20-2:608     60 LEU  HA          6.00    (#    608:20  Single Ambig)
 &rst
  ixpk= 608, nxpk= 20, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 896, 970,1211, 934, 935,
 &end
#
#    0 AMB  20-2:609     60 LEU  HA          5.00    (#    609:20  Single Ambig)
 &rst
  ixpk= 609, nxpk= 20, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 896, 959, 957, 958,1211,
 &end
#
#    0 AMB  20-2:610     60 LEU  HA          3.50    (#    610:20  Single Ambig  #released3.0to3.5on0926)
 &rst
  ixpk= 610, nxpk= 20, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 896,1211, 243, 975, 242,
 &end
#
#    0 AMB  20-2:611     60 LEU  HA          4.00    (#    611:20  Single Ambig)
 &rst
  ixpk= 611, nxpk= 20, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1215,1214,1216,
 &end
#
#    0 AMB  20-2:612     60 LEU  HA          6.00    (#    612:20  Single Ambig)
 &rst
  ixpk= 612, nxpk= 20, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1211,1162, 261,1164, 262,
 &end
#
#   83 ASN  HA            0 AMB  20-1:613    6.00    (#    613:20  Single Ambig)
 &rst
  ixpk= 613, nxpk= 20, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1265,1266,
 &end
#
#   82 SER  HB3          82 SER  HB2         6.00    (#    614:20  Unique         1.75, 1.75 A)
 &rst
  ixpk= 614, nxpk= 20, iat=1266,1265, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   82 SER  HB3          82 SER  HB2         4.00    (#    615:20  Unique         1.75, 1.75 A)
 &rst
  ixpk= 615, nxpk= 20, iat=1266,1265, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 ASN  HB3           0 AMB  20-1:616    6.00    (#    616:20  Single Ambig)
 &rst
  ixpk= 616, nxpk= 20, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1265,1266,
 &end
#
#   83 ASN  HB2           0 AMB  20-1:617    6.00    (#    617:20  Single Ambig)
 &rst
  ixpk= 617, nxpk= 20, iat=1276,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1265,1266,
 &end
#
#    0 AMB  20-2:618      0 AMB  20-1:618    5.00    (#    618:20  Double Ambig)
 &rst
  ixpk= 618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1205,1244,1211,
 igr2=1266,1265,
 &end
#
#    0 AMB  20-2:619      0 AMB  20-1:619    6.00    (#    619:20  Double Ambig)
 &rst
  ixpk= 619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1249,1211,
 igr2=1266,1265,
 &end
#
#    0 AMB  20-2:620      0 AMB  20-1:620    6.00    (#    620:20  Double Ambig)
 &rst
  ixpk= 620, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 835, 836, 837,
 igr2=1266,1265,
 &end
#
#    0 AMB  20-2:621      0 AMB  20-1:621    6.00    (#    621:20  Double Ambig)
 &rst
  ixpk= 621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1326,1328,1327,1212,
 igr2=1265,1266,
 &end
#
#    0 AMB  20-2:622      0 AMB  20-1:622    6.00    (#    622:20  Double Ambig)
 &rst
  ixpk= 622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 787,1211,
 igr2=1265,1266,
 &end
#
#    0 AMB  20-2:623      0 AMB  20-1:623    5.00    (#    623:20  Double Ambig)
 &rst
  ixpk= 623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 782, 784,1208, 783,1207,
 igr2=1265,1266,
 &end
#
#    0 AMB  20-2:624      0 AMB  20-1:624    6.00    (#    624:20  Double Ambig)
 &rst
  ixpk= 624, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1211,1215,
 igr2=1265,1266,
 &end
#
#    0 AMB  20-2:628     64 LEU  HA          6.00    (#    628:20  Single Ambig)
 &rst
  ixpk= 628, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1072,1071,1142,
 &end
#
#    0 AMB  20-2:629     64 LEU  HA          6.00    (#    629:20  Single Ambig)
 &rst
  ixpk= 629, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1072,1071,
 &end
#
#    0 AMB  20-2:630     64 LEU  HA          5.00    (#    630:20  Single Ambig)
 &rst
  ixpk= 630, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1156,1143,1072,1071, 894, 405,
 &end
#
#   64 LEU  HB2          64 LEU  HA          4.00    (#    631:20  Unique         2.49, 2.49 A)
 &rst
  ixpk= 631, nxpk= 20, iat= 969, 967, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:632     64 LEU  HA          4.00    (#    632:20  Single Ambig)
 &rst
  ixpk= 632, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 972, 896,1072,
 &end
#
#    0 AMB  20-2:633     64 LEU  HA          4.00    (#    633:20  Single Ambig)
 &rst
  ixpk= 633, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 239, 896, 991,1072,1071,
 &end
#
#    0 AMB  20-2:634     64 LEU  HA          4.00    (#    634:20  Single Ambig)
 &rst
  ixpk= 634, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 970, 327, 326,
 &end
#
#    0 AMB  20-2:635     64 LEU  HA          5.00    (#    635:20  Single Ambig)
 &rst
  ixpk= 635, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 957, 958, 959, 338,
 &end
#
#    0 AMB  20-2:636     64 LEU  HA          3.00    (#    636:20  Single Ambig)
 &rst
  ixpk= 636, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 974, 975, 976,
 &end
#
#    0 AMB  20-2:637     64 LEU  HA          6.00    (#    637:20  Single Ambig)
 &rst
  ixpk= 637, nxpk= 20, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1162,1164, 261,1163,
 &end
#
#   63 THR  HB           63 THR  HA          3.50    (#    648:20  Unique         3.00, 3.00 A)
 &rst
  ixpk= 648, nxpk= 20, iat= 955, 953, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:649     63 THR  HA          6.00    (#    649:20  Single Ambig)
 &rst
  ixpk= 649, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 937, 938,1018,
 &end
#
#    0 AMB  20-2:650     63 THR  HA          6.00    (#    650:20  Single Ambig)
 &rst
  ixpk= 650, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 882,1074,1075,
 &end
#
#    0 AMB  20-2:651     63 THR  HA          5.00    (#    651:20  Single Ambig)
 &rst
  ixpk= 651, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1072,1074,1142,1071,1075,
 &end
#
#    0 AMB  20-2:652     63 THR  HA          6.00    (#    652:20  Single Ambig)
 &rst
  ixpk= 652, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1072,1074,1071,1075,
 &end
#
#    0 AMB  20-2:653     63 THR  HA          6.00    (#    653:20  Single Ambig)
 &rst
  ixpk= 653, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1139,1072,1074,1071,1075,
 &end
#
#    0 AMB  20-2:654     63 THR  HA          5.00    (#    654:20  Single Ambig)
 &rst
  ixpk= 654, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1072,1074,1071, 896,1140,1075,
 &end
#
#    0 AMB  20-2:655     63 THR  HA          5.00    (#    655:20  Single Ambig)
 &rst
  ixpk= 655, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1143,1072,1074,1071,1075,
 &end
#
#    0 AMB  20-2:656     63 THR  HA          5.00    (#    656:20  Single Ambig)
 &rst
  ixpk= 656, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 935, 934, 932,1072,1074,
 &end
#
#    0 AMB  20-2:657     63 THR  HA          6.00    (#    657:20  Single Ambig)
 &rst
  ixpk= 657, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 935, 934,1072,1074,1071,
 &end
#
#    0 AMB  20-2:658     63 THR  HA          5.00    (#    658:20  Single Ambig)
 &rst
  ixpk= 658, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 935, 934,1072,
 &end
#
#    0 AMB  20-2:659     63 THR  HA          3.50    (#    659:20  Single Ambig)
 &rst
  ixpk= 659, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 958, 957, 935, 959,
 &end
#
#    0 AMB  20-2:660     63 THR  HA          6.00    (#    660:20  Single Ambig)
 &rst
  ixpk= 660, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 243, 975, 974, 896,1211, 242, 241,
 &end
#
#    0 AMB  20-2:661     63 THR  HA          6.00    (#    661:20  Single Ambig)
 &rst
  ixpk= 661, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1159, 247, 896,1211,1160,1158,
 &end
#
#    0 AMB  20-2:662     63 THR  HA          6.00    (#    662:20  Single Ambig)
 &rst
  ixpk= 662, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1215,1214,1216,
 &end
#
#    0 AMB  20-2:663     63 THR  HA          6.00    (#    663:20  Single Ambig)
 &rst
  ixpk= 663, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1162,1163,1164,1211,
 &end
#
#    0 AMB  20-2:664     63 THR  HA          6.50    (#    664:20  Single Ambig #spindiff?0619)
 &rst
  ixpk= 664, nxpk= 20, iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1= 978,1209, 979,1211,
 &end
#
#  103 PRO  HA          104 GLY  HA2         6.00    (#    665:20  Unique         4.74, 4.74 A)
 &rst
  ixpk= 665, nxpk= 20, iat=1609,1615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:666    104 GLY  HA2         6.00    (#    666:20  Single Ambig)
 &rst
  ixpk= 666, nxpk= 20, iat=  -1,1615, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1606,1604,
 &end
#
#    0 AMB  20-2:667    104 GLY  HA2         6.00    (#    667:20  Single Ambig)
 &rst
  ixpk= 667, nxpk= 20, iat=  -1,1615, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1606,1603,1604,1633,
 &end
#
#    0 AMB  20-2:668    104 GLY  HA2         5.50    (#    668:20  Single Ambig #released5to5.5on1016)
 &rst
  ixpk= 668, nxpk= 20, iat=  -1,1615, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1606,1607,1604,
 &end
#
#   59 ASP  HB2          55 SER  HB2         6.00    (#    670:20  Unique         4.94, 4.94 A)
 &rst
  ixpk= 670, nxpk= 20, iat= 881, 824, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 PRO  HB2          55 SER  HB2         6.00    (#    671:20  Unique         6.73, 6.73 A)
 &rst
  ixpk= 671, nxpk= 20, iat= 720, 824, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 GLN  HB2          55 SER  HB2         5.00    (#    673:20  Unique         6.44, 6.44 A)
 &rst
  ixpk= 673, nxpk= 20, iat= 864, 824, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:675     55 SER  HB2         6.00    (#    675:20  Single Ambig)
 &rst
  ixpk= 675, nxpk= 20, iat=  -1, 824, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 718,1211, 814,
 &end
#
#    0 AMB  20-2:676     55 SER  HB2         6.00    (#    676:20  Single Ambig)
 &rst
  ixpk= 676, nxpk= 20, iat=  -1, 824, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 846,1211, 845,
 &end
#
#    0 AMB  20-2:677     55 SER  HB2         6.00    (#    677:20  Single Ambig)
 &rst
  ixpk= 677, nxpk= 20, iat=  -1, 824, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 835, 836, 837,1211,
 &end
#
#    0 AMB  20-2:678     55 SER  HB2         6.00    (#    678:20  Single Ambig)
 &rst
  ixpk= 678, nxpk= 20, iat=  -1, 824, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1208,1211, 855,1209,
 &end
#
#    0 AMB  20-2:692     84 PRO  HD2         5.00    (#    692:20  Single Ambig)
 &rst
  ixpk= 692, nxpk= 20, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1290,1291,
 &end
#
#    0 AMB  20-2:693     84 PRO  HD2         5.00    (#    693:20  Single Ambig)
 &rst
  ixpk= 693, nxpk= 20, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1290,1291,
 &end
#
#    0 AMB  20-2:711      0 AMB  20-1:711    6.00    (#    711:20  Double Ambig)
 &rst
  ixpk= 711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1170,1414,1203,1266,
 igr2=1222,1436,
 &end
#
#    0 AMB  20-2:712      0 AMB  20-1:712    4.00    (#    712:20  Double Ambig)
 &rst
  ixpk= 712, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1441,1442,1344,
 igr2=1436,1222,
 &end
#
#    0 AMB  20-2:713     93 GLN  HA          3.00    (#    713:20  Single Ambig)
 &rst
  ixpk= 713, nxpk= 20, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1438,1439,1441,1442,
 &end
#
#    0 AMB  20-2:714     61 LEU  HA          3.50    (#    714:20  Single Ambig)
 &rst
  ixpk= 714, nxpk= 20, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 915, 236, 896,
 &end
#
#    0 AMB  20-2:715     61 LEU  HA          5.00    (#    715:20  Single Ambig)
 &rst
  ixpk= 715, nxpk= 20, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 915, 239, 896, 991,
 &end
#
#    0 AMB  20-2:716     61 LEU  HA          5.00    (#    716:20  Single Ambig)
 &rst
  ixpk= 716, nxpk= 20, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 915, 992, 896,
 &end
#
#    0 AMB  20-2:717      0 AMB  20-1:717    3.50    (#    717:20  Double Ambig)
 &rst
  ixpk= 717, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1420,1181,1211, 409,1183,
 igr2=1436,1222,
 &end
#
#    0 AMB  20-2:718     80 LEU  HA          5.00    (#    718:20  Single Ambig)
 &rst
  ixpk= 718, nxpk= 20, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1338,1266,1265, 891,
 &end
#
#    0 AMB  20-2:719     80 LEU  HA          6.00    (#    719:20  Single Ambig)
 &rst
  ixpk= 719, nxpk= 20, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1344,1277,
 &end
#
#    0 AMB  20-2:720     80 LEU  HA          6.00    (#    720:20  Single Ambig)
 &rst
  ixpk= 720, nxpk= 20, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1343,1344,1341,
 &end
#
#    0 AMB  20-2:721     80 LEU  HA          4.00    (#    721:20  Single Ambig)
 &rst
  ixpk= 721, nxpk= 20, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1344,1341, 896, 258,1243,1211,1347,
 &end
#
#    0 AMB  20-2:722     80 LEU  HA          4.00    (#    722:20  Single Ambig)
 &rst
  ixpk= 722, nxpk= 20, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1227,1224,1322,
 &end
#
#   80 LEU  HB3          80 LEU  HA          5.00    (#    723:20  Unique         2.56, 2.56 A)
 &rst
  ixpk= 723, nxpk= 20, iat=1225,1222, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:725     80 LEU  HA          4.00    (#    725:20  Single Ambig)
 &rst
  ixpk= 725, nxpk= 20, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1230,1229,1231,
 &end
#
#    0 AMB  20-2:726     80 LEU  HA          5.00    (#    726:20  Single Ambig)
 &rst
  ixpk= 726, nxpk= 20, iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1234,1233,
 &end
#
#    0 AMB  20-2:727     55 SER  HB3         6.00    (#    727:20  Single Ambig)
 &rst
  ixpk= 727, nxpk= 20, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 720, 810, 811,
 &end
#
#    0 AMB  20-2:728     55 SER  HB3         6.00    (#    728:20  Single Ambig)
 &rst
  ixpk= 728, nxpk= 20, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 810, 811,
 &end
#
#    0 AMB  20-2:729     55 SER  HB3         5.00    (#    729:20  Single Ambig)
 &rst
  ixpk= 729, nxpk= 20, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 864, 810, 811,
 &end
#
#    0 AMB  20-2:730     55 SER  HB3         5.00    (#    730:20  Single Ambig)
 &rst
  ixpk= 730, nxpk= 20, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 810, 811,
 &end
#
#    0 AMB  20-2:731     55 SER  HB3         6.00    (#    731:20  Single Ambig)
 &rst
  ixpk= 731, nxpk= 20, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 718, 814, 810, 811,
 &end
#
#    0 AMB  20-2:732     55 SER  HB3         6.00    (#    732:20  Single Ambig)
 &rst
  ixpk= 732, nxpk= 20, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 835, 836, 810, 837, 811,
 &end
#
#    0 AMB  20-2:734      0 AMB  20-1:734    6.00    (#    734:20  Double Ambig)
 &rst
  ixpk= 734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 810, 811,
 igr2= 770, 769,
 &end
#
#    0 AMB  20-2:735      0 AMB  20-1:735    6.00    (#    735:20  Double Ambig)
 &rst
  ixpk= 735, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=  73, 810, 811, 746,
 igr2= 769, 770,
 &end
#
#    0 AMB  20-2:736      0 AMB  20-1:736    5.00    (#    736:20  Double Ambig)
 &rst
  ixpk= 736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 810, 811, 746,  70,
 igr2= 770, 769,
 &end
#
#    0 AMB  20-2:737      0 AMB  20-1:737    5.00    (#    737:20  Double Ambig)
 &rst
  ixpk= 737, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=   8, 810, 811, 746, 749,
 igr2= 770, 769,
 &end
#
#    0 AMB  20-2:738      0 AMB  20-1:738    6.00    (#    738:20  Double Ambig)
 &rst
  ixpk= 738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 810, 811, 746, 749,  71, 748, 745, 122,
 igr2= 770, 769,
 &end
#
#    0 AMB  20-2:739      0 AMB  20-1:739    6.00    (#    739:20  Double Ambig)
 &rst
  ixpk= 739, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
 igr1= 810, 811, 746, 749, 748, 745, 122,
 igr2= 770, 769,
 &end
#
#    0 AMB  20-2:740      0 AMB  20-1:740    5.00    (#    740:20  Double Ambig)
 &rst
  ixpk= 740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 810, 811, 746,1246, 749, 748, 786, 745,
 igr2= 770,1266, 769,
 &end
#
#    0 AMB  20-2:741      0 AMB  20-1:741    6.00    (#    741:20  Double Ambig)
 &rst
  ixpk= 741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 810, 811, 746, 749, 748, 745,
 igr2= 770, 769,
 &end
#
#    0 AMB  20-2:742      0 AMB  20-1:742    5.00    (#    742:20  Single Ambig)
 &rst
  ixpk= 742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 850, 851, 852, 854, 855, 856,1326,1327,1328,1330,
      1331,1332,
 igr2= 769, 770,
 &end
#
#    0 AMB  20-2:743      0 AMB  20-1:743    5.00    (#    743:20  Double Ambig)
 &rst
  ixpk= 743, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 790, 130, 791, 789, 128,
 igr2= 770, 769,
 &end
#
#   98 TYR  HD2          95 THR  HA          5.00    (#    744:20  Unique         2.49, 2.49 A)
 &rst
  ixpk= 744, nxpk= 20, iat=1538,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:745     95 THR  HA          6.00    (#    745:20  Single Ambig)
 &rst
  ixpk= 745, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1536,1531,
 &end
#
#    0 AMB  20-2:746     95 THR  HA          5.00    (#    746:20  Single Ambig)
 &rst
  ixpk= 746, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 632,1523,
 &end
#
#   95 THR  HB           95 THR  HA          5.00    (#    747:20  Unique         2.28, 2.28 A)
 &rst
  ixpk= 747, nxpk= 20, iat=1479,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   98 TYR  HB2          95 THR  HA          6.00    (#    748:20  Unique         2.37, 2.37 A)
 &rst
  ixpk= 748, nxpk= 20, iat=1525,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:749     95 THR  HA          6.00    (#    749:20  Single Ambig)
 &rst
  ixpk= 749, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1526,1425,
 &end
#
#    0 AMB  20-2:750     95 THR  HA          6.00    (#    750:20  Single Ambig)
 &rst
  ixpk= 750, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1504,1422, 516,1423,
 &end
#
#    0 AMB  20-2:751     95 THR  HA          6.00    (#    751:20  Single Ambig)
 &rst
  ixpk= 751, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1456, 496,1504,1420,1422,1503,
 &end
#
#    0 AMB  20-2:752     95 THR  HA          6.00    (#    752:20  Single Ambig)
 &rst
  ixpk= 752, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1504,1420,1493,1494,1422,1458,1495, 516,1419,
 &end
#
#    0 AMB  20-2:753     95 THR  HA          4.00    (#    753:20  Single Ambig)
 &rst
  ixpk= 753, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1481,1482,1483, 502,
 &end
#
#    0 AMB  20-2:754     95 THR  HA          6.00    (#    754:20  Single Ambig)
 &rst
  ixpk= 754, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1=1550,1420, 506,1549, 507,1548, 505,
 &end
#
#    0 AMB  20-2:755     95 THR  HA          4.00    (#    755:20  Single Ambig)
 &rst
  ixpk= 755, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 571, 570, 569, 654, 655,1420,
 &end
#
#    0 AMB  20-2:756     95 THR  HA          5.00    (#    756:20  Single Ambig)
 &rst
  ixpk= 756, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 500, 499, 498,
 &end
#
#    0 AMB  20-2:757     90 PHE  HA          6.00    (#    757:20  Single Ambig)
 &rst
  ixpk= 757, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1383,1387,1385,
 &end
#
#   90 PHE  HD1          90 PHE  HA          5.00    (#    758:20  Unique         2.54, 2.54 A)
 &rst
  ixpk= 758, nxpk= 20, iat=1381,1375, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:759     90 PHE  HA          5.50    (#    759:20  Single Ambig #5to5.5on1015weak)
 &rst
  ixpk= 759, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 253,1453, 184,
 &end
#
#    0 AMB  20-2:760     90 PHE  HA          4.00    (#    760:20  Single Ambig)
 &rst
  ixpk= 760, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 206,1378,
 &end
#
#   90 PHE  HB2          90 PHE  HA          4.00    (#    761:20  Unique         2.32, 2.32 A)
 &rst
  ixpk= 761, nxpk= 20, iat=1377,1375, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:762     90 PHE  HA          6.00    (#    762:20  Single Ambig)
 &rst
  ixpk= 762, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1442,1441,
 &end
#
#    0 AMB  20-2:763     90 PHE  HA          6.00    (#    763:20  Single Ambig)
 &rst
  ixpk= 763, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1442,1441,1416,
 &end
#
#    0 AMB  20-2:764     90 PHE  HA          5.00    (#    764:20  Single Ambig)
 &rst
  ixpk= 764, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 258,1442,1441,1455,1397,
 &end
#
#    0 AMB  20-2:765     90 PHE  HA          5.00    (#    765:20  Single Ambig)
 &rst
  ixpk= 765, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 258,1442,1441,
 &end
#
#   17 LEU  HG           90 PHE  HA          6.00    (#    766:20  Unique         3.70, 3.70 A)
 &rst
  ixpk= 766, nxpk= 20, iat= 258,1375, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:767     90 PHE  HA          5.00    (#    767:20  Single Ambig)
 &rst
  ixpk= 767, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 258,1368,1369,1367,
 &end
#
#    0 AMB  20-2:768     90 PHE  HA          4.00    (#    768:20  Single Ambig)
 &rst
  ixpk= 768, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=1331,1330, 145,1332, 143, 980, 144,1399,1400, 979,
      
 &end
#
#    0 AMB  20-2:769     90 PHE  HA          4.50    (#    769:20  Single Ambig #bintootight0703-releasedfrom4to4.5)
 &rst
  ixpk= 769, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 265, 264, 266,
 &end
#
#    0 AMB  20-2:770     90 PHE  HA          6.00    (#    770:20  Single Ambig  Spindiff?0614)
 &rst
  ixpk= 770, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1231,1230,1229,
 &end
#
#    0 AMB  20-2:771     90 PHE  HA          6.00    (#    771:20  Single Ambig)
 &rst
  ixpk= 771, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1235,1233,1234,
 &end
#
#   69 SER  HA           68 SER  HB3         6.00    (#    772:20  Unique         6.17, 6.17 A)
 &rst
  ixpk= 772, nxpk= 20, iat=1044,1036, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   71 GLN  HB2          68 SER  HB3         6.00    (#    774:20  Unique         7.96, 7.96 A)
 &rst
  ixpk= 774, nxpk= 20, iat=1071,1036, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:775     68 SER  HB3         6.00    (#    775:20  Single Ambig)
 &rst
  ixpk= 775, nxpk= 20, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1024,1071,
 &end
#
#    0 AMB  20-2:776     68 SER  HB3         6.00    (#    776:20  Single Ambig)
 &rst
  ixpk= 776, nxpk= 20, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1021,1022,1071,
 &end
#
#    0 AMB  20-2:777     68 SER  HB3         6.00    (#    777:20  Single Ambig)
 &rst
  ixpk= 777, nxpk= 20, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 376,1071,
 &end
#
#    0 AMB  20-2:778     68 SER  HB3         6.00    (#    778:20  Single Ambig)
 &rst
  ixpk= 778, nxpk= 20, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 356,1071,
 &end
#
#    0 AMB  20-2:779     68 SER  HB3         6.00    (#    779:20  Single Ambig)
 &rst
  ixpk= 779, nxpk= 20, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 337, 339, 338,
 &end
#
#   25 LEU  HD21         68 SER  HB3         6.00    (#    780:20  Unique         7.57, 7.57 A)
 &rst
  ixpk= 780, nxpk= 20, iat= 365,1036, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  102 GLN  HA          103 PRO  HD2         3.50    (#    781:20  Unique         2.70, 2.70 A)
 &rst
  ixpk= 781, nxpk= 20, iat=1584,1600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  103 PRO  HA          103 PRO  HD2         6.00    (#    782:20  Unique         4.02, 4.02 A)
 &rst
  ixpk= 782, nxpk= 20, iat=1609,1600, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:783    103 PRO  HD2         6.00    (#    783:20  Single Ambig)
 &rst
  ixpk= 783, nxpk= 20, iat=  -1,1600, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1606,1572,
 &end
#
#    0 AMB  20-2:784      0 AMB  20-1:784    5.00    (#    784:20  Double Ambig)
 &rst
  ixpk= 784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1604,1024,1606,
 igr2=1600,1018,
 &end
#
#    0 AMB  20-2:785    103 PRO  HD2         5.00    (#    785:20  Single Ambig)
 &rst
  ixpk= 785, nxpk= 20, iat=  -1,1600, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1604,1606,
 &end
#
#    0 AMB  20-2:786    103 PRO  HD2         3.50    (#    786:20  Single Ambig)
 &rst
  ixpk= 786, nxpk= 20, iat=  -1,1600, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1603,1604,
 &end
#
#    0 AMB  20-2:787    103 PRO  HD2         3.00    (#    787:20  Single Ambig)
 &rst
  ixpk= 787, nxpk= 20, iat=  -1,1600, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1604,1606,
 &end
#
#    0 AMB  20-2:789     77 LEU  HA          6.00    (#    789:20  Single Ambig)
 &rst
  ixpk= 789, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1189, 203,
 &end
#
#   80 LEU  HA           77 LEU  HA          5.00    (#    790:20  Unique         4.73, 4.73 A)
 &rst
  ixpk= 790, nxpk= 20, iat=1222,1170, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 MET  HG3          77 LEU  HA          6.00    (#    791:20  Unique         4.17, 4.17 A)
 &rst
  ixpk= 791, nxpk= 20, iat=1344,1170, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:792     77 LEU  HA          6.00    (#    792:20  Single Ambig)
 &rst
  ixpk= 792, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1156,1344,1122,1123, 405,
 &end
#
#    0 AMB  20-2:793     77 LEU  HA          5.00    (#    793:20  Single Ambig)
 &rst
  ixpk= 793, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1175,1344,1348,1347,1122,1349, 258,1123,
 &end
#
#    0 AMB  20-2:794     77 LEU  HA          4.00    (#    794:20  Single Ambig)
 &rst
  ixpk= 794, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1224,1172,
 &end
#
#    0 AMB  20-2:795     77 LEU  HA          4.00    (#    795:20  Single Ambig)
 &rst
  ixpk= 795, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1175,1344,1122, 258,1123,
 &end
#
#    0 AMB  20-2:796     77 LEU  HA          5.00    (#    796:20  Single Ambig)
 &rst
  ixpk= 796, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1175,1122, 258,1123,1246,1341,
 &end
#
#    0 AMB  20-2:797     77 LEU  HA          5.00    (#    797:20  Single Ambig)
 &rst
  ixpk= 797, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1173,1175,
 &end
#
#    0 AMB  20-2:798     77 LEU  HA          5.00    (#    798:20  Single Ambig)
 &rst
  ixpk= 798, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1225,1175,
 &end
#
#    0 AMB  20-2:799     77 LEU  HA          5.00    (#    799:20  Single Ambig)
 &rst
  ixpk= 799, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 414, 415, 416,
 &end
#
#    0 AMB  20-2:800     77 LEU  HA          3.50    (#    800:20  Single Ambig)
 &rst
  ixpk= 800, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1181,1182,1183, 409, 408,
 &end
#
#    0 AMB  20-2:801     77 LEU  HA          5.00    (#    801:20  Single Ambig)
 &rst
  ixpk= 801, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1163,1164,1162,
 &end
#
#    0 AMB  20-2:802     77 LEU  HA          5.00    (#    802:20  Single Ambig)
 &rst
  ixpk= 802, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1229,1230,
 &end
#
#    0 AMB  20-2:803     77 LEU  HA          4.00    (#    803:20  Single Ambig)
 &rst
  ixpk= 803, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1233,1234,1235,
 &end
#
#    0 AMB  20-2:804     77 LEU  HA          5.00    (#    804:20  Single Ambig)
 &rst
  ixpk= 804, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1178,1177,1175,1179,
 &end
#
#   82 SER  HA           79 ILE  HA          6.00    (#    819:20  Unique         5.64, 5.64 A)
 &rst
  ixpk= 819, nxpk= 20, iat=1263,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:820     79 ILE  HA          6.00    (#    820:20  Single Ambig)
 &rst
  ixpk= 820, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1266,1189,
 &end
#
#    0 AMB  20-2:821     79 ILE  HA          4.00    (#    821:20  Single Ambig)
 &rst
  ixpk= 821, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1266,1265, 891,
 &end
#
#    0 AMB  20-2:822     79 ILE  HA          6.00    (#    822:20  Single Ambig)
 &rst
  ixpk= 822, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1266,1222,
 &end
#
#    0 AMB  20-2:823     79 ILE  HA          6.00    (#    823:20  Single Ambig)
 &rst
  ixpk= 823, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1266,1154,
 &end
#
#   78 ASN  HB3          79 ILE  HA          6.00    (#    824:20  Unique         4.53, 4.53 A)
 &rst
  ixpk= 824, nxpk= 20, iat=1192,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:825     79 ILE  HA          6.00    (#    825:20  Single Ambig)
 &rst
  ixpk= 825, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 881,1191,
 &end
#
#   59 ASP  HB3          79 ILE  HA          6.00    (#    826:20  Unique         5.07, 5.07 A)
 &rst
  ixpk= 826, nxpk= 20, iat= 882,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:827     79 ILE  HA          6.50    (#    827:20  Single Ambig releasedon0920to6.5from6.0)
 &rst
  ixpk= 827, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 894,1156,
 &end
#
#    0 AMB  20-2:828     79 ILE  HA          3.50    (#    828:20  Single Ambig)
 &rst
  ixpk= 828, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1211,1205,
 &end
#
#   79 ILE  HG12         79 ILE  HA          6.00    (#    829:20  Unique         2.56, 2.56 A)
 &rst
  ixpk= 829, nxpk= 20, iat=1211,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:830     79 ILE  HA          6.00    (#    830:20  Single Ambig)
 &rst
  ixpk= 830, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1211, 837, 835,
 &end
#
#    0 AMB  20-2:831     79 ILE  HA          4.00    (#    831:20  Single Ambig)
 &rst
  ixpk= 831, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1211,1212,
 &end
#
#    0 AMB  20-2:832     79 ILE  HA          3.50    (#    832:20  Single Ambig)
 &rst
  ixpk= 832, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1208,1211,1207,
 &end
#
#    0 AMB  20-2:833     79 ILE  HA          4.00    (#    833:20  Single Ambig)
 &rst
  ixpk= 833, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1211,1215,1214,
 &end
#
#   79 ILE  HG12         79 ILE  HA          6.00    (#    834:20  Unique         2.56, 2.56 A)
 &rst
  ixpk= 834, nxpk= 20, iat=1211,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   79 ILE  HG12         79 ILE  HA          6.00    (#    835:20  Unique         2.56, 2.56 A)
 &rst
  ixpk= 835, nxpk= 20, iat=1211,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  102 GLN  HA          103 PRO  HD3         4.00    (#    836:20  Unique         3.61, 3.61 A)
 &rst
  ixpk= 836, nxpk= 20, iat=1584,1601, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  103 PRO  HA          103 PRO  HD3         5.00    (#    837:20  Unique         3.41, 3.41 A)
 &rst
  ixpk= 837, nxpk= 20, iat=1609,1601, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:838      0 AMB  20-1:838    5.00    (#    838:20  Double Ambig)
 &rst
  ixpk= 838, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1604,1606,1024,
 igr2=1601,1018,
 &end
#
#    0 AMB  20-2:839    103 PRO  HD3         5.00    (#    839:20  Single Ambig)
 &rst
  ixpk= 839, nxpk= 20, iat=  -1,1601, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1604,1606,
 &end
#
#    0 AMB  20-2:840    103 PRO  HD3         4.00    (#    840:20  Single Ambig)
 &rst
  ixpk= 840, nxpk= 20, iat=  -1,1601, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1604,1607,
 &end
#
#    0 AMB  20-2:841    103 PRO  HD3         3.00    (#    841:20  Single Ambig)
 &rst
  ixpk= 841, nxpk= 20, iat=  -1,1601, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1604,1603,
 &end
#
#    0 AMB  20-2:842     91 ILE  HA          6.00    (#    842:20  Single Ambig)
 &rst
  ixpk= 842, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1383,1387,1385,
 &end
#
#    0 AMB  20-2:843     91 ILE  HA          5.00    (#    843:20  Single Ambig)
 &rst
  ixpk= 843, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1381,1389,
 &end
#
#    0 AMB  20-2:844     91 ILE  HA          6.00    (#    844:20  Single Ambig)
 &rst
  ixpk= 844, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 422, 468, 272,
 &end
#
#   88 ALA  HA           91 ILE  HA          6.50    (#    845:20  Unique         5.13, 5.13 A)
 &rst
  ixpk= 845, nxpk= 20, iat=1355,1395, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#    0 AMB  20-2:846     91 ILE  HA          6.00    (#    846:20  Single Ambig)
 &rst
  ixpk= 846, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1377,1426,1425,1344,
 &end
#
#    0 AMB  20-2:847     91 ILE  HA          6.00    (#    847:20  Single Ambig)
 &rst
  ixpk= 847, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1343,1462,1426,1425,1341,1344,
 &end
#
#    0 AMB  20-2:848     91 ILE  HA          6.50    (#    848:20  Single Ambig #possspindiff)
 &rst
  ixpk= 848, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 424,1341,1344,
 &end
#
#    0 AMB  20-2:849     91 ILE  HA          4.00    (#    849:20  Single Ambig)
 &rst
  ixpk= 849, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1403,1455,
 &end
#
#    0 AMB  20-2:850     91 ILE  HA          5.00    (#    850:20  Single Ambig)
 &rst
  ixpk= 850, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1456,1422, 496, 258,1423,1420,1419,
 &end
#
#    0 AMB  20-2:851     91 ILE  HA          5.00    (#    851:20  Single Ambig)
 &rst
  ixpk= 851, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1458,1422, 258,1423,1420,1359,1419,1368,1357,
 &end
#
#    0 AMB  20-2:852     91 ILE  HA          5.00    (#    852:20  Single Ambig)
 &rst
  ixpk= 852, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 502,1422,1482, 258,1423,1481,1483,
 &end
#
#    0 AMB  20-2:853     91 ILE  HA          4.00    (#    853:20  Single Ambig)
 &rst
  ixpk= 853, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 507, 506,
 &end
#
#    0 AMB  20-2:854     91 ILE  HA          4.00    (#    854:20  Single Ambig)
 &rst
  ixpk= 854, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1407,1406,1408, 258,
 &end
#
#    0 AMB  20-2:855     91 ILE  HA          4.00    (#    855:20  Single Ambig)
 &rst
  ixpk= 855, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1400,1399,1401,
 &end
#
#    0 AMB  20-2:856     91 ILE  HA          5.00    (#    856:20  Single Ambig)
 &rst
  ixpk= 856, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 475, 476, 477,
 &end
#
#    0 AMB  20-2:857     91 ILE  HA          6.00    (#    857:20  Single Ambig)
 &rst
  ixpk= 857, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 500, 499, 498, 265,
 &end
#
#    0 AMB  20-2:858     91 ILE  HA          6.00    (#    858:20  Single Ambig)
 &rst
  ixpk= 858, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1453,1338,
 &end
#
#    0 AMB  20-2:859     91 ILE  HA          6.00    (#    859:20  Single Ambig)
 &rst
  ixpk= 859, nxpk= 20, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1375, 275,1477,
 &end
#
#    0 AMB  20-2:860     90 PHE  HB3         6.00    (#    860:20  Single Ambig)
 &rst
  ixpk= 860, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1387,1383,1385,
 &end
#
#    0 AMB  20-2:861     90 PHE  HB3         5.00    (#    861:20  Single Ambig)
 &rst
  ixpk= 861, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1389,1381,
 &end
#
#    90 PHE  HA           90 PHE  HB3         5.00    (#    863:20  Unique         2.98, 2.98 A)
 &rst
  ixpk= 863, nxpk= 20, iat=1375,1378, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:864     90 PHE  HB3         6.00    (#    864:20  Single Ambig)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 258,1397,1347,1341,1344,
 &end
#
#    0 AMB  20-2:865     90 PHE  HB3         6.00    (#    865:20  Single Ambig)
 &rst
  ixpk= 865, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 258,1368,1341,1369,1367,1358,
 &end
#
#    0 AMB  20-2:866     90 PHE  HB3         6.00    (#    866:20  Single Ambig)
 &rst
  ixpk= 866, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1341,1344,1442,
 &end
#
#    0 AMB  20-2:867     90 PHE  HB3         6.00    (#    867:20  Single Ambig)
 &rst
  ixpk= 867, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 258, 255,1341,1344,
 &end
#
#    0 AMB  20-2:868     90 PHE  HB3         5.00    (#    868:20  Single Ambig)
 &rst
  ixpk= 868, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 258,1406,1408,
 &end
#
#    0 AMB  20-2:869     90 PHE  HB3         5.00    (#    869:20  Single Ambig)
 &rst
  ixpk= 869, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1330,1331,1332, 145, 144,1399,1400, 143,
 &end
#
#    0 AMB  20-2:870     90 PHE  HB3         6.00    (#    870:20  Single Ambig)
 &rst
  ixpk= 870, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 477, 476, 475, 481, 479, 407, 409,
 &end
#
#    0 AMB  20-2:871     90 PHE  HB3         6.00    (#    871:20  Single Ambig)
 &rst
  ixpk= 871, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 265, 266, 264,
 &end
#
#    0 AMB  20-2:872     90 PHE  HB3         5.00    (#    872:20  Single Ambig)
 &rst
  ixpk= 872, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1230,1231,1229,
 &end
#
#    0 AMB  20-2:873     90 PHE  HB3         6.00    (#    873:20  Single Ambig)
 &rst
  ixpk= 873, nxpk= 20, iat=  -1,1378, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1233,1235,1234,
 &end
#
#    0 AMB  20-2:874     76 VAL  HA          6.00    (#    874:20  Single Ambig)
 &rst
  ixpk= 874, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 955,1137,
 &end
#
#    0 AMB  20-2:875     76 VAL  HA          5.00    (#    875:20  Single Ambig)
 &rst
  ixpk= 875, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 891, 347, 967, 953,
 &end
#
#    0 AMB  20-2:877     76 VAL  HA          6.00    (#    877:20  Single Ambig)
 &rst
  ixpk= 877, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1142,1122,1072,
 &end
#
#    0 AMB  20-2:878     76 VAL  HA          6.00    (#    878:20  Single Ambig)
 &rst
  ixpk= 878, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1122,1072,
 &end
#
#   76 VAL  HB           76 VAL  HA          4.00    (#    879:20  Unique         2.98, 2.98 A)
 &rst
  ixpk= 879, nxpk= 20, iat=1156,1154, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:880     76 VAL  HA          5.00    (#    880:20  Single Ambig)
 &rst
  ixpk= 880, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 896,1140,1122, 258,1072,1175,
 &end
#
#    0 AMB  20-2:881     76 VAL  HA          4.00    (#    881:20  Single Ambig)
 &rst
  ixpk= 881, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1205,1211, 896,
 &end
#
#    0 AMB  20-2:882     76 VAL  HA          5.00    (#    882:20  Single Ambig)
 &rst
  ixpk= 882, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1211, 896, 893,1122, 258,1072, 239,
 &end
#
#    0 AMB  20-2:883     76 VAL  HA          5.00    (#    883:20  Single Ambig)
 &rst
  ixpk= 883, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 959, 957, 958,
 &end
#
#    0 AMB  20-2:884     76 VAL  HA          5.00    (#    884:20  Single Ambig)
 &rst
  ixpk= 884, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr1= 978, 416, 975, 414,1211, 896, 980, 415, 979, 974,
       976,
 &end
#
#    0 AMB  20-2:885     76 VAL  HA          4.00    (#    885:20  Single Ambig)
 &rst
  ixpk= 885, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1159,1158,1160,
 &end
#
#    0 AMB  20-2:886     76 VAL  HA          4.00    (#    886:20  Single Ambig)
 &rst
  ixpk= 886, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1214,1215,1216,1211,
 &end
#
#    0 AMB  20-2:887     76 VAL  HA          4.00    (#    887:20  Single Ambig)
 &rst
  ixpk= 887, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1162,1163,1164,
 &end
#
#    0 AMB  20-2:888     76 VAL  HA          5.00    (#    888:20  Single Ambig)
 &rst
  ixpk= 888, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1229,1231,1211,1230,
 &end
#
#    0 AMB  20-2:889     76 VAL  HA          6.00    (#    889:20  Single Ambig)
 &rst
  ixpk= 889, nxpk= 20, iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1235,1234,1233,
 &end
#
#    0 AMB  20-2:890      0 AMB  20-1:890    6.00    (#    890:20  Double Ambig)
 &rst
  ixpk= 890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 879, 354,
 igr2= 959, 958, 957,
 &end
#
#   63 THR  HB            0 AMB  20-1:891    3.00    (#    891:20  Single Ambig)
 &rst
  ixpk= 891, nxpk= 20, iat= 955,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 959, 957, 958,
 &end
#
#    0 AMB  20-2:892      0 AMB  20-1:892    3.00    (#    892:20  Double Ambig)
 &rst
  ixpk= 892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 953, 347,
 igr2= 958, 957, 959,
 &end
#
#   79 ILE  HA            0 AMB  20-1:893    6.50    (#    893:20  Single Ambig #releasedfrom5.5spindiff?0616upto6.5on622)
 &rst
  ixpk= 893, nxpk= 20, iat=1203,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2= 959, 958,
 &end
#
#   76 VAL  HA            0 AMB  20-1:894    5.00    (#    894:20  Single Ambig)
 &rst
  ixpk= 894, nxpk= 20, iat=1154,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 959, 957, 958,
 &end
#
#   78 ASN  HB3           0 AMB  20-1:895    6.00    (#    895:20  Single Ambig)
 &rst
  ixpk= 895, nxpk= 20, iat=1192,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 959, 958, 957,
 &end
#
#    0 AMB  20-2:896      0 AMB  20-1:896    6.00    (#    896:20  Double Ambig)
 &rst
  ixpk= 896, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1074, 881,1191,1075,
 igr2= 958, 959, 957,
 &end
#
#    0 AMB  20-2:897      0 AMB  20-1:897    5.00    (#    897:20  Double Ambig)
 &rst
  ixpk= 897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 882,1074,1075,
 igr2= 959, 958, 957,
 &end
#
#    0 AMB  20-2:898      0 AMB  20-1:898    4.00    (#    898:20  Double Ambig)
 &rst
  ixpk= 898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1142,1072,1074,1071,
 igr2= 958, 957, 959,
 &end
#
#    0 AMB  20-2:899      0 AMB  20-1:899    4.00    (#    899:20  Double Ambig)
 &rst
  ixpk= 899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1072,1074,1071,
 igr2= 958, 957, 959,
 &end
#
#    0 AMB  20-2:900      0 AMB  20-1:900    4.00    (#    900:20  Double Ambig)
 &rst
  ixpk= 900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1139,1072,1074,1071,
 igr2= 958, 959, 957,
 &end
#
#    0 AMB  20-2:901      0 AMB  20-1:901    4.00    (#    901:20  Double Ambig)
 &rst
  ixpk= 901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 896,1140,1072,1074,1071,
 igr2= 959, 958, 957,
 &end
#
#    0 AMB  20-2:902      0 AMB  20-1:902    5.00    (#    902:20  Double Ambig)
 &rst
  ixpk= 902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1205, 972, 896,1211,1072, 935,1074,1071,
 igr2= 959, 957, 958,
 &end
#
#    0 AMB  20-2:904      0 AMB  20-1:904    5.00    (#    904:20  Double Ambig)
 &rst
  ixpk= 904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 978,1209, 979, 980,1207,1211, 243,1208, 416, 414,
      
 igr2= 957, 959, 958,
 &end
#
#    0 AMB  20-2:905      0 AMB  20-1:905    4.00    (#    905:20  Double Ambig)
 &rst
  ixpk= 905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1159,1160,1158, 896,
 igr2= 959, 957, 958,
 &end
#
#    0 AMB  20-2:906      0 AMB  20-1:906    5.00    (#    906:20  Double Ambig)
 &rst
  ixpk= 906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1214,1215,1216,
 igr2= 959, 958, 957,
 &end
#
#    0 AMB  20-2:907      0 AMB  20-1:907    5.00    (#    907:20  Double Ambig)
 &rst
  ixpk= 907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1162,1164,1163,
 igr2= 957, 959, 958,
 &end
#
#    0 AMB  20-2:917      0 AMB  20-1:917    5.00    (#    917:20  Double Ambig)
 &rst
  ixpk= 917, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1383,1385,1387,
 igr2= 976, 975, 974,
 &end
#
#    0 AMB  20-2:918      0 AMB  20-1:918    6.00    (#    918:20  Double Ambig)
 &rst
  ixpk= 918, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1381,1389,
 igr2= 976, 975, 974,
 &end
#
#    0 AMB  20-2:920      0 AMB  20-1:920    3.50    (#    920:20  Double Ambig #changed1001)
 &rst
  ixpk= 920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1120,1338, 891,
 igr2= 898, 899, 900, 902, 903, 904,
 &end
#
#    0 AMB  20-2:921      0 AMB  20-1:921    5.00    (#    921:20  Single Ambig #changed1001)
 &rst
  ixpk= 921, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 910,1222,1375,
 igr2= 899, 898, 900, 902, 903, 904,
 &end
#
#    0 AMB  20-2:922      0 AMB  20-1:922    6.00    (#    922:20  Double Ambig #changed1001)
 &rst
  ixpk= 922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1203,1170,1263,
 igr2= 899, 898, 900, 902, 903, 904,
 &end
#
#    76 VAL  HA           0 AMB  20-1:923    4.50    (#    923:20  Single Ambig #changed1001)
 &rst
  ixpk= 923, nxpk= 20, iat=1154,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 899, 898, 900, 902, 903, 904,
 &end
#
#    0 AMB  20-2:928      0 AMB  20-1:928    3.50    (#    928:20  Double Ambig #changed1001)
 &rst
  ixpk= 928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1216,1215,1214,
 igr2= 899, 900, 898, 902, 903, 904,
 &end
#
#    0 AMB  20-2:929      0 AMB  20-1:929    4.00    (#    929:20  Double Ambig  #changed1001)
 &rst
  ixpk= 929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1162,1163,1164,
 igr2= 898, 899, 900, 902, 903, 904,
 &end
#
#    0 AMB  20-2:930      0 AMB  20-1:930    5.00    (#    930:20  Double Ambig #changed1001)
 &rst
  ixpk= 930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1230,1229,1231,
 igr2= 899, 900, 898, 902, 903, 904,
 &end
#
#    0 AMB  20-2:931      0 AMB  20-1:931    5.00    (#    931:20  Double Ambig #changed1001)
 &rst
  ixpk= 931, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1233,1234,1235,
 igr2= 899, 900, 898, 902, 903, 904,
 &end
#
#    0 AMB  20-2:932      0 AMB  20-1:932    6.00    (#    932:20  Double Ambig)
 &rst
  ixpk= 932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1385,1387,1383,
 igr2=1160,1158,1159,
 &end
#
#    0 AMB  20-2:933      0 AMB  20-1:933    6.00    (#    933:20  Double Ambig)
 &rst
  ixpk= 933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 354,1189,
 igr2=1160,1159,1158,
 &end
#
#    0 AMB  20-2:934      0 AMB  20-1:934    4.00    (#    934:20  Double Ambig)
 &rst
  ixpk= 934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 955,1137,
 igr2=1159,1158,1160,
 &end
#
#   76 VAL  HA            0 AMB  20-1:937    4.00    (#    937:20  Single Ambig)
 &rst
  ixpk= 937, nxpk= 20, iat=1154,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1159,1158,1160,
 &end
#
#    0 AMB  20-2:938      0 AMB  20-1:938    6.00    (#    938:20  Double Ambig)
 &rst
  ixpk= 938, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1142,1344,
 igr2=1159,1158,1160,
 &end
#
#   76 VAL  HB            0 AMB  20-1:939    3.00    (#    939:20  Single Ambig)
 &rst
  ixpk= 939, nxpk= 20, iat=1156,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1158,1160,1159,
 &end
#
#    0 AMB  20-2:940      0 AMB  20-1:940    5.00    (#    940:20  Double Ambig)
 &rst
  ixpk= 940, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 896,1205, 258, 972,
 igr2=1159,1158,1160,
 &end
#
#    0 AMB  20-2:941      0 AMB  20-1:941    5.00    (#    941:20  Double Ambig)
 &rst
  ixpk= 941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 896, 258, 893, 239,
 igr2=1159,1160,1158,
 &end
#
#    0 AMB  20-2:942      0 AMB  20-1:942    4.00    (#    942:20  Double Ambig)
 &rst
  ixpk= 942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 959, 957, 958, 896, 258,
 igr2=1159,1160,1158,
 &end
#
#    0 AMB  20-2:943      0 AMB  20-1:943    4.00    (#    943:20  Double Ambig)
 &rst
  ixpk= 943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 409, 407, 408,1181, 481,1182, 477,
 igr2=1160,1158,1159,
 &end
#
#    0 AMB  20-2:944      0 AMB  20-1:944    4.00    (#    944:20  Double Ambig)
 &rst
  ixpk= 944, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1164,1162,1163,
 igr2=1160,1159,1158,
 &end
#
#    0 AMB  20-2:945      0 AMB  20-1:945    6.00    (#    945:20  Double Ambig)
 &rst
  ixpk= 945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1235,1234,1233,
 igr2=1158,1160,1159,
 &end
#
#   98 TYR  HD2           0 AMB  20-1:946    6.00    (#    946:20  Single Ambig)
 &rst
  ixpk= 946, nxpk= 20, iat=1538,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1549,1550,1548,
 &end
#
#   96 ALA  HA            0 AMB  20-1:948    4.00    (#    948:20  Single Ambig)
 &rst
  ixpk= 948, nxpk= 20, iat=1491,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1548,1550,1549,
 &end
#
#   99 VAL  HA            0 AMB  20-1:949    4.00    (#    949:20  Single Ambig)
 &rst
  ixpk= 949, nxpk= 20, iat=1544,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1549,1548,1550,
 &end
#
#    0 AMB  20-2:950      0 AMB  20-1:950    6.00    (#    950:20  Double Ambig)
 &rst
  ixpk= 950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1525,1425,
 igr2=1549,1550,1548,
 &end
#
#    0 AMB  20-2:951      0 AMB  20-1:951    6.00    (#    951:20  Double Ambig)
 &rst
  ixpk= 951, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1526,1425,
 igr2=1549,1550,1548,
 &end
#
#    0 AMB  20-2:952      0 AMB  20-1:952    6.00    (#    952:20  Double Ambig)
 &rst
  ixpk= 952, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1606,1604,
 igr2=1549,1548,1550,
 &end
#
#    0 AMB  20-2:953      0 AMB  20-1:953    3.50    (#    953:20  Double Ambig)
 &rst
  ixpk= 953, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1546,1606,
 igr2=1550,1548,1549,
 &end
#
#    0 AMB  20-2:954      0 AMB  20-1:954    5.00    (#    954:20  Double Ambig)
 &rst
  ixpk= 954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1606,1604,
 igr2=1549,1548,1550,
 &end
#
#    0 AMB  20-2:955      0 AMB  20-1:955    4.00    (#    955:20  Double Ambig)
 &rst
  ixpk= 955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1606,1483,1481,1482,
 igr2=1549,1548,1550,
 &end
#
#   52 ILE  HA            0 AMB  20-1:957    4.00    (#    957:20  Single Ambig)
 &rst
  ixpk= 957, nxpk= 20, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 790, 789,
 &end
#
#    0 AMB  20-2:958      0 AMB  20-1:958    5.00    (#    958:20  Double Ambig)
 &rst
  ixpk= 958, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 743,1265,
 igr2= 790, 791, 789,
 &end
#
#    0 AMB  20-2:959      0 AMB  20-1:959    5.00    (#    959:20  Double Ambig)
 &rst
  ixpk= 959, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 770, 769,
 igr2= 790, 791, 789,
 &end
#
#    0 AMB  20-2:960      0 AMB  20-1:960    6.00    (#    960:20  Double Ambig)
 &rst
  ixpk= 960, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1291, 810,1290, 811,
 igr2= 791, 789, 790,
 &end
#
#    0 AMB  20-2:961      0 AMB  20-1:961    6.00    (#    961:20  Double Ambig)
 &rst
  ixpk= 961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 720,1291, 810,1290,
 igr2= 790, 789, 791,
 &end
#
#    0 AMB  20-2:962      0 AMB  20-1:962    6.00    (#    962:20  Double Ambig)
 &rst
  ixpk= 962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 746,1291, 745,  73, 810,1290,  30, 811,
 igr2= 790, 791, 789,
 &end
#
#    0 AMB  20-2:963      0 AMB  20-1:963    5.00    (#    963:20  Double Ambig)
 &rst
  ixpk= 963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 746,1291, 745, 810,1290, 811,
 igr2= 790, 791, 789,
 &end
#
#    0 AMB  20-2:964      0 AMB  20-1:964    4.00    (#    964:20  Double Ambig)
 &rst
  ixpk= 964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 721, 746,1291, 745, 810, 749,1290, 718,   8, 811,
      
 igr2= 790, 789, 791,
 &end
#
#    0 AMB  20-2:965      0 AMB  20-1:965    6.00    (#    965:20  Double Ambig)
 &rst
  ixpk= 965, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 746,1291, 745, 810, 749,1290,  71, 811,
 igr2= 790, 791, 789,
 &end
#
#    0 AMB  20-2:966      0 AMB  20-1:966    3.00    (#    966:20  Double Ambig)
 &rst
  ixpk= 966, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 780, 746,1291, 745, 810, 749,1290,
 igr2= 790, 789, 791,
 &end
#
#   52 ILE  HG12          0 AMB  20-1:967    3.00    (#    967:20  Single Ambig)
 &rst
  ixpk= 967, nxpk= 20, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 791, 790, 789,
 &end
#
#    0 AMB  20-2:968      0 AMB  20-1:968    5.00    (#    968:20  Double Ambig)
 &rst
  ixpk= 968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr1= 746,1291, 745, 810, 749,1290, 811,
 igr2= 790, 791, 789,
 &end
#
#   52 ILE  HG13          0 AMB  20-1:969    3.50    (#    969:20  Single Ambig)
 &rst
  ixpk= 969, nxpk= 20, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 791, 789, 790,
 &end
#
#   59 ASP  HA            0 AMB  20-1:970    6.00    (#    970:20  Single Ambig)
 &rst
  ixpk= 970, nxpk= 20, iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1215,1216,1214,
 &end
#
#   56 ALA  HA            0 AMB  20-1:971    6.00    (#    971:20  Single Ambig)
 &rst
  ixpk= 971, nxpk= 20, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1215,1216,1214,
 &end
#
#    0 AMB  20-2:972      0 AMB  20-1:972    4.00    (#    972:20  Double Ambig)
 &rst
  ixpk= 972, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 955,1137,
 igr2=1215,1214,1216,
 &end
#
#    0 AMB  20-2:973      0 AMB  20-1:973    4.00    (#    973:20  Double Ambig)
 &rst
  ixpk= 973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 891, 953,
 igr2=1215,1214,1216,
 &end
#
#   79 ILE  HA            0 AMB  20-1:974    4.00    (#    974:20  Single Ambig)
 &rst
  ixpk= 974, nxpk= 20, iat=1203,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1215,1214,1216,
 &end
#
#   76 VAL  HA            0 AMB  20-1:975    4.00    (#    975:20  Single Ambig)
 &rst
  ixpk= 975, nxpk= 20, iat=1154,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1214,1215,1216,
 &end
#
#    0 AMB  20-2:976      0 AMB  20-1:976    4.00    (#    976:20  Double Ambig)
 &rst
  ixpk= 976, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 881,1191,
 igr2=1215,1216,1214,
 &end
#
#   59 ASP  HB3           0 AMB  20-1:977    4.00    (#    977:20  Single Ambig)
 &rst
  ixpk= 977, nxpk= 20, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1215,1216,
 &end
#
#   75 GLN  HG2           0 AMB  20-1:978    5.50    (#    978:20  Single Ambig)
 &rst
  ixpk= 978, nxpk= 20, iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1214,1216,
 &end
#
#   75 GLN  HB2           0 AMB  20-1:980    5.00    (#    980:20  Single Ambig)
 &rst
  ixpk= 980, nxpk= 20, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1214,1216,1215,
 &end
#
#    0 AMB  20-2:981      0 AMB  20-1:981    5.00    (#    981:20  Double Ambig)
 &rst
  ixpk= 981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 896,1140,
 igr2=1215,1214,1216,
 &end
#
#    0 AMB  20-2:982      0 AMB  20-1:982    3.00    (#    982:20  Double Ambig)
 &rst
  ixpk= 982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1211,1205,
 igr2=1216,1215,1214,
 &end
#
#   79 ILE  HG12          0 AMB  20-1:983    4.00    (#    983:20  Single Ambig)
 &rst
  ixpk= 983, nxpk= 20, iat=1211,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1216,1215,1214,
 &end
#
#   79 ILE  HG12          0 AMB  20-1:984    6.00    (#    984:20  Single Ambig)
 &rst
  ixpk= 984, nxpk= 20, iat=1211,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1216,1215,1214,
 &end
#
#    0 AMB  20-2:985      0 AMB  20-1:985    5.00    (#    985:20  Double Ambig)
 &rst
  ixpk= 985, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1211, 959, 958,
 igr2=1216,1215,1214,
 &end
#
#    0 AMB  20-2:986      0 AMB  20-1:986    4.00    (#    986:20  Double Ambig)
 &rst
  ixpk= 986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1211,1212,
 igr2=1216,1214,1215,
 &end
#
#    0 AMB  20-2:987      0 AMB  20-1:987    3.00    (#    987:20  Double Ambig)
 &rst
  ixpk= 987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1209,1211,1208,
 igr2=1215,1216,1214,
 &end
#
#   90 PHE  HE2           0 AMB  20-1:990    6.00    (#    990:20  Single Ambig)
 &rst
  ixpk= 990, nxpk= 20, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1347,1348,1349,
 &end
#
#   90 PHE  HD2           0 AMB  20-1:991    6.00    (#    991:20  Single Ambig)
 &rst
  ixpk= 991, nxpk= 20, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1347,1348,1349,
 &end
#
#    0 AMB  20-2:993      0 AMB  20-1:993    5.00    (#    993:20  Double Ambig)
 &rst
  ixpk= 993, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 468, 422,
 igr2=1349,1347,1348,
 &end
#
#    0 AMB  20-2:995      0 AMB  20-1:995    3.20    (#    995:20  Single Ambig  #modified1015)
 &rst
  ixpk= 995, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1241,1222,
 igr2=1348,1347,1349,
 &end
#
#   77 LEU  HA            0 AMB  20-1:996    4.00    (#    996:20  Single Ambig)
 &rst
  ixpk= 996, nxpk= 20, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1348,1347,1349,
 &end
#
#   91 ILE  HA            0 AMB  20-1:997    6.00    (#    997:20  Single Ambig)
 &rst
  ixpk= 997, nxpk= 20, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1347,1349,1348,
 &end
#
#   87 MET  HG3           0 AMB  20-1:998    5.00    (#    998:20  Single Ambig)
 &rst
  ixpk= 998, nxpk= 20, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1348,1347,1349,
 &end
#
#    0 AMB  20-2:999      0 AMB  20-1:999    4.00    (#    999:20  Double Ambig)
 &rst
  ixpk= 999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1343,1344,
 igr2=1347,1348,1349,
 &end
#
#    0 AMB  20-2:1000     0 AMB  20-1:1000   3.00    (#   1000:20  Double Ambig)
 &rst
  ixpk= 1000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1344,1341,
 igr2=1348,1347,1349,
 &end
#
#    0 AMB  20-2:1001     0 AMB  20-1:1001   3.50    (#   1001:20  Double Ambig)
 &rst
  ixpk= 1001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 471,1175,1341,
 igr2=1349,1348,1347,
 &end
#
#    0 AMB  20-2:1002     0 AMB  20-1:1002   4.00    (#   1002:20  Double Ambig)
 &rst
  ixpk= 1002, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1175,1341, 258,
 igr2=1348,1347,1349,
 &end
#
#    0 AMB  20-2:1003     0 AMB  20-1:1003   4.00    (#   1003:20  Double Ambig)
 &rst
  ixpk= 1003, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1175,1225,1341,
 igr2=1348,1347,1349,
 &end
#
#    0 AMB  20-2:1004     0 AMB  20-1:1004   4.00    (#   1004:20  Double Ambig)
 &rst
  ixpk= 1004, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1179,1408,1178,1177,1175,1406,
 igr2=1348,1349,1347,
 &end
#
#    0 AMB  20-2:1005     0 AMB  20-1:1005   4.00    (#   1005:20  Double Ambig)
 &rst
  ixpk= 1005, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 479,1183,1181, 481, 476, 477, 480,
 igr2=1347,1349,1348,
 &end
#
#    0 AMB  20-2:1006     0 AMB  20-1:1006   4.00    (#   1006:20  Double Ambig)
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1230,1229,1231,
 igr2=1347,1348,1349,
 &end
#
#    0 AMB  20-2:1007     0 AMB  20-1:1007   4.00    (#   1007:20  Double Ambig)
 &rst
  ixpk= 1007, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1233,1235,1234,
 igr2=1347,1348,1349,
 &end
#
#   83 ASN  HA           84 PRO  HD3         4.00    (#   1008:20  Unique         2.46, 2.46 A)
 &rst
  ixpk= 1008, nxpk= 20, iat=1274,1288, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1010     0 AMB  20-1:1010   5.00    (#   1010:20  Double Ambig)
 &rst
  ixpk= 1010, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1296,1063,
 igr2=1288,1055,
 &end
#
#    0 AMB  20-2:1014     0 AMB  20-1:1014   6.00    (#   1014:20  Double Ambig)
 &rst
  ixpk= 1014, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1277,1075,1092,1074,
 igr2=1288,1055,1019,
 &end
#
#    0 AMB  20-2:1015    84 PRO  HD3         6.00    (#   1015:20  Single Ambig)
 &rst
  ixpk= 1015, nxpk= 20, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1291,1290,
 &end
#
#    0 AMB  20-2:1016     0 AMB  20-1:1016   4.00    (#   1016:20  Double Ambig)
 &rst
  ixpk= 1016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1291,1290,1060,
 igr2=1288,1055,
 &end
#
#    0 AMB  20-2:1017     0 AMB  20-1:1017   5.00    (#   1017:20  Double Ambig)
 &rst
  ixpk= 1017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1291,1290,1024,
 igr2=1288,1019,
 &end
#
#    0 AMB  20-2:1018     0 AMB  20-1:1018   4.00    (#   1018:20  Double Ambig)
 &rst
  ixpk= 1018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1022,1021,1291,1057,1290,
 igr2=1019,1018,1288,1055,
 &end
#
#    0 AMB  20-2:1019     0 AMB  20-1:1019   3.00    (#   1019:20  Double Ambig)
 &rst
  ixpk= 1019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1291,1058,1294,1290,
 igr2=1288,1055,
 &end
#
#    0 AMB  20-2:1020    84 PRO  HD3         5.00    (#   1020:20  Single Ambig)
 &rst
  ixpk= 1020, nxpk= 20, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1291,1290,
 &end
#
#    0 AMB  20-2:1030    98 TYR  HB2         4.00    (#   1030:20  Single Ambig)
 &rst
  ixpk= 1030, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1538,1529,
 &end
#
#    0 AMB  20-2:1031    98 TYR  HB2         5.00    (#   1031:20  Single Ambig)
 &rst
  ixpk= 1031, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1536,1531,
 &end
#
#   98 TYR  HA           98 TYR  HB2         4.00    (#   1032:20  Unique         2.97, 2.97 A)
 &rst
  ixpk= 1032, nxpk= 20, iat=1523,1525, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 THR  HA           98 TYR  HB2         5.00    (#   1033:20  Unique         2.37, 2.37 A)
 &rst
  ixpk= 1033, nxpk= 20, iat=1477,1525, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1034    98 TYR  HB2         6.00    (#   1034:20  Single Ambig)
 &rst
  ixpk= 1034, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 521, 494,
 &end
#
#    0 AMB  20-2:1035    98 TYR  HB2         6.00    (#   1035:20  Single Ambig)
 &rst
  ixpk= 1035, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1504,1546, 563, 516,
 &end
#
#    0 AMB  20-2:1036    98 TYR  HB2         6.00    (#   1036:20  Single Ambig)
 &rst
  ixpk= 1036, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1504, 496, 516,
 &end
#
#    0 AMB  20-2:1037    98 TYR  HB2         6.00    (#   1037:20  Single Ambig)
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1481, 502,1482,1506,1483, 516,
 &end
#
#    0 AMB  20-2:1038    98 TYR  HB2         5.00    (#   1038:20  Single Ambig)
 &rst
  ixpk= 1038, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 571, 570, 569, 655, 654,
 &end
#
#    0 AMB  20-2:1039    98 TYR  HB2         6.00    (#   1039:20  Single Ambig)
 &rst
  ixpk= 1039, nxpk= 20, iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 500, 498, 499,
 &end
#
#    0 AMB  20-2:1040    94 ARG  HD2         5.00    (#   1040:20  Single Ambig)
 &rst
  ixpk= 1040, nxpk= 20, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1383,1538,1385,
 &end
#
#   90 PHE  HD1          94 ARG  HD2         6.00    (#   1041:20  Unique         4.20, 4.20 A)
 &rst
  ixpk= 1041, nxpk= 20, iat=1381,1461, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   94 ARG  HA           94 ARG  HD2         4.00    (#   1042:20  Unique         2.12, 2.12 A)
 &rst
  ixpk= 1042, nxpk= 20, iat=1453,1461, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1043    94 ARG  HD2         5.00    (#   1043:20  Single Ambig)
 &rst
  ixpk= 1043, nxpk= 20, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1504,1455,
 &end
#
#    0 AMB  20-2:1044    94 ARG  HD2         6.00    (#   1044:20  Single Ambig)
 &rst
  ixpk= 1044, nxpk= 20, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1504, 258,
 &end
#
#    0 AMB  20-2:1045    94 ARG  HD2         5.00    (#   1045:20  Single Ambig)
 &rst
  ixpk= 1045, nxpk= 20, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 359,1456,1504,1503,
 &end
#
#    0 AMB  20-2:1046    94 ARG  HD2         5.00    (#   1046:20  Single Ambig)
 &rst
  ixpk= 1046, nxpk= 20, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1458,1504,
 &end
#
#    0 AMB  20-2:1047    94 ARG  HD2         5.00    (#   1047:20  Single Ambig)
 &rst
  ixpk= 1047, nxpk= 20, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1459,1504,
 &end
#
#    0 AMB  20-2:1048    94 ARG  HD2         5.00    (#   1048:20  Single Ambig)
 &rst
  ixpk= 1048, nxpk= 20, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 256,1507, 258,
 &end
#
#    0 AMB  20-2:1049    94 ARG  HD2         5.00    (#   1049:20  Single Ambig)
 &rst
  ixpk= 1049, nxpk= 20, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 366, 367, 365, 976,
 &end
#
#    0 AMB  20-2:1050    94 ARG  HD2         5.00    (#   1050:20  Single Ambig)
 &rst
  ixpk= 1050, nxpk= 20, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 260, 500, 261, 262, 498,
 &end
#
#    0 AMB  20-2:1051    98 TYR  HB3         4.00    (#   1051:20  Single Ambig)
 &rst
  ixpk= 1051, nxpk= 20, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1538,1529,
 &end
#
#    0 AMB  20-2:1052    98 TYR  HB3         6.00    (#   1052:20  Single Ambig)
 &rst
  ixpk= 1052, nxpk= 20, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1536,1531,
 &end
#
#   98 TYR  HA           98 TYR  HB3         4.00    (#   1053:20  Unique         2.64, 2.64 A)
 &rst
  ixpk= 1053, nxpk= 20, iat=1523,1526, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 THR  HA           98 TYR  HB3         5.00    (#   1054:20  Unique         3.78, 3.78 A)
 &rst
  ixpk= 1054, nxpk= 20, iat=1477,1526, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1055    98 TYR  HB3         6.00    (#   1055:20  Single Ambig)
 &rst
  ixpk= 1055, nxpk= 20, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1601, 521,
 &end
#
#    0 AMB  20-2:1056    98 TYR  HB3         6.00    (#   1056:20  Single Ambig)
 &rst
  ixpk= 1056, nxpk= 20, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1504, 516,1481,1506,1606,1482,1604,1483,
 &end
#
#    0 AMB  20-2:1057    98 TYR  HB3         5.00    (#   1057:20  Single Ambig)
 &rst
  ixpk= 1057, nxpk= 20, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 571, 569, 570, 655,
 &end
#
#    0 AMB  20-2:1058    98 TYR  HB3         6.00    (#   1058:20  Single Ambig)
 &rst
  ixpk= 1058, nxpk= 20, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 498, 500, 499,
 &end
#
#   78 ASN  HA           78 ASN  HB3         3.50    (#   1059:20  Unique         3.00, 3.00 A)
 &rst
  ixpk= 1059, nxpk= 20, iat=1189,1192, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 GLN  HA           78 ASN  HB3         4.00    (#   1060:20  Unique         3.61, 3.61 A)
 &rst
  ixpk= 1060, nxpk= 20, iat=1137,1192, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 ILE  HA           78 ASN  HB3         6.00    (#   1062:20  Unique         4.53, 4.53 A)
 &rst
  ixpk= 1062, nxpk= 20, iat=1203,1192, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1063    78 ASN  HB3         6.00    (#   1063:20  Single Ambig)
 &rst
  ixpk= 1063, nxpk= 20, iat=  -1,1192, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1122,1125,1123,1126,
 &end
#
#    0 AMB  20-2:1064    78 ASN  HB3         5.00    (#   1064:20  Single Ambig)
 &rst
  ixpk= 1064, nxpk= 20, iat=  -1,1192, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1122,1125,1123,1126,
 &end
#
#    0 AMB  20-2:1065    78 ASN  HB3         6.00    (#   1065:20  Single Ambig)
 &rst
  ixpk= 1065, nxpk= 20, iat=  -1,1192, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1122,1139,1125,1123,1126,
 &end
#
#    0 AMB  20-2:1066    78 ASN  HB3         6.00    (#   1066:20  Single Ambig)
 &rst
  ixpk= 1066, nxpk= 20, iat=  -1,1192, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1122,1140,1125,1123,1126,
 &end
#
#    0 AMB  20-2:1067    78 ASN  HB3         5.00    (#   1067:20  Single Ambig)
 &rst
  ixpk= 1067, nxpk= 20, iat=  -1,1192, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1205,1122,1211,1125,1244,1123,1126,
 &end
#
#    0 AMB  20-2:1068    78 ASN  HB3         6.00    (#   1068:20  Single Ambig)
 &rst
  ixpk= 1068, nxpk= 20, iat=  -1,1192, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1122,1211,1123,1249,
 &end
#
#    0 AMB  20-2:1069    78 ASN  HB3         6.00    (#   1069:20  Single Ambig)
 &rst
  ixpk= 1069, nxpk= 20, iat=  -1,1192, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1211,1208, 416,1209,1207, 414,
 &end
#
#    0 AMB  20-2:1070    78 ASN  HB3         6.00    (#   1070:20  Single Ambig)
 &rst
  ixpk= 1070, nxpk= 20, iat=  -1,1192, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1214,1211,1216,1215,
 &end
#
#   59 ASP  HA           59 ASP  HB2         4.00    (#   1071:20  Unique         2.93, 2.93 A)
 &rst
  ixpk= 1071, nxpk= 20, iat= 879, 881, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 ALA  HA           59 ASP  HB2         4.00    (#   1072:20  Unique         2.42, 2.42 A)
 &rst
  ixpk= 1072, nxpk= 20, iat= 833, 881, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1073    59 ASP  HB2         5.00    (#   1073:20  Single Ambig)
 &rst
  ixpk= 1073, nxpk= 20, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 891, 862, 843,1266, 953,
 &end
#
#    0 AMB  20-2:1074    59 ASP  HB2         6.00    (#   1074:20  Single Ambig)
 &rst
  ixpk= 1074, nxpk= 20, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 864, 894,
 &end
#
#    0 AMB  20-2:1075    59 ASP  HB2         5.00    (#   1075:20  Single Ambig)
 &rst
  ixpk= 1075, nxpk= 20, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1211, 934,1205,
 &end
#
#    0 AMB  20-2:1076    59 ASP  HB2         6.00    (#   1076:20  Single Ambig)
 &rst
  ixpk= 1076, nxpk= 20, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1211, 893, 934, 846,
 &end
#
#    0 AMB  20-2:1077    59 ASP  HB2         5.00    (#   1077:20  Single Ambig)
 &rst
  ixpk= 1077, nxpk= 20, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1211, 837, 835, 934, 836,
 &end
#
#    0 AMB  20-2:1078    59 ASP  HB2         6.00    (#   1078:20  Single Ambig)
 &rst
  ixpk= 1078, nxpk= 20, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1211,1212,
 &end
#
#    0 AMB  20-2:1079    59 ASP  HB2         5.00    (#   1079:20  Single Ambig)
 &rst
  ixpk= 1079, nxpk= 20, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1211,1208,1209,1207,
 &end
#
#    0 AMB  20-2:1080    59 ASP  HB2         4.00    (#   1080:20  Single Ambig)
 &rst
  ixpk= 1080, nxpk= 20, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1211,1215,1216,
 &end
#
#   78 ASN  HA           78 ASN  HB2         3.50    (#   1081:20  Unique         2.57, 2.57 A)
 &rst
  ixpk= 1081, nxpk= 20, iat=1189,1191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 GLN  HA           78 ASN  HB2         4.00    (#   1082:20  Unique         3.69, 3.69 A)
 &rst
  ixpk= 1082, nxpk= 20, iat=1137,1191, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 ILE  HA           78 ASN  HB2         6.00    (#   1083:20  Unique         5.87, 5.87 A)
 &rst
  ixpk= 1083, nxpk= 20, iat=1203,1191, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1084    78 ASN  HB2         6.00    (#   1084:20  Single Ambig)
 &rst
  ixpk= 1084, nxpk= 20, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1122,1125,1123,
 &end
#
#    0 AMB  20-2:1085    78 ASN  HB2         5.00    (#   1085:20  Single Ambig)
 &rst
  ixpk= 1085, nxpk= 20, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1122,1125,1123,
 &end
#
#    0 AMB  20-2:1086    78 ASN  HB2         6.00    (#   1086:20  Single Ambig)
 &rst
  ixpk= 1086, nxpk= 20, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1122,1125,1123,1126,
 &end
#
#    0 AMB  20-2:1087    78 ASN  HB2         5.00    (#   1087:20  Single Ambig)
 &rst
  ixpk= 1087, nxpk= 20, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1122,1125,1123,1126,
 &end
#
#    0 AMB  20-2:1088    78 ASN  HB2         5.00    (#   1088:20  Single Ambig)
 &rst
  ixpk= 1088, nxpk= 20, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1122,1125,1123,1126,1205,1175,
 &end
#
#    0 AMB  20-2:1089    78 ASN  HB2         6.00    (#   1089:20  Single Ambig)
 &rst
  ixpk= 1089, nxpk= 20, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1122,1123,
 &end
#
#    0 AMB  20-2:1090    78 ASN  HB2         6.00    (#   1090:20  Single Ambig)
 &rst
  ixpk= 1090, nxpk= 20, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1212,1175,1211,
 &end
#
#    0 AMB  20-2:1091    78 ASN  HB2         6.00    (#   1091:20  Single Ambig)
 &rst
  ixpk= 1091, nxpk= 20, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1250,1175,1211,
 &end
#
#    0 AMB  20-2:1092    78 ASN  HB2         6.00    (#   1092:20  Single Ambig)
 &rst
  ixpk= 1092, nxpk= 20, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 416, 414,1211, 415,1207,1208,
 &end
#
#    0 AMB  20-2:1093    78 ASN  HB2         6.00    (#   1093:20  Single Ambig)
 &rst
  ixpk= 1093, nxpk= 20, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1214,1211,1216,1215,
 &end
#
#   83 ASN  HA           83 ASN  HB3         5.00    (#   1094:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 1094, nxpk= 20, iat=1274,1277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1095    83 ASN  HB3         6.00    (#   1095:20  Single Ambig)
 &rst
  ixpk= 1095, nxpk= 20, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1319,1266,1302,
 &end
#
#    0 AMB  20-2:1096    83 ASN  HB3         5.00    (#   1096:20  Single Ambig)
 &rst
  ixpk= 1096, nxpk= 20, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1287, 800,1266,1222,
 &end
#
#    0 AMB  20-2:1097    83 ASN  HB3         6.00    (#   1097:20  Single Ambig)
 &rst
  ixpk= 1097, nxpk= 20, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1288,1266,
 &end
#
#    0 AMB  20-2:1098    83 ASN  HB3         4.00    (#   1098:20  Single Ambig)
 &rst
  ixpk= 1098, nxpk= 20, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 780,1290, 139,
 &end
#
#    0 AMB  20-2:1099    83 ASN  HB3         5.50    (#   1099:20  Single Ambig #released5.0to5.5on1012)
 &rst
  ixpk= 1099, nxpk= 20, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1290, 189,1291,1341,
 &end
#
#    0 AMB  20-2:1100    83 ASN  HB3         6.00    (#   1100:20  Single Ambig)
 &rst
  ixpk= 1100, nxpk= 20, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 836, 837,1290, 835,1291,1341,
 &end
#
#    0 AMB  20-2:1101    83 ASN  HB3         4.00    (#   1101:20  Single Ambig)
 &rst
  ixpk= 1101, nxpk= 20, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 191, 144, 782, 784,1330,1331,1332, 193, 783, 145,
       143, 192, 124,
 &end
#
#    0 AMB  20-2:1104   101 ASN  HB3         6.00    (#   1104:20  Single Ambig)
 &rst
  ixpk= 1104, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1523, 297,1560,
 &end
#
#    0 AMB  20-2:1105   101 ASN  HB3         6.00    (#   1105:20  Single Ambig)
 &rst
  ixpk= 1105, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1563,1564,1504,1562,
 &end
#
#   59 ASP  HA           59 ASP  HB3         4.00    (#   1117:20  Unique         2.68, 2.68 A)
 &rst
  ixpk= 1117, nxpk= 20, iat= 879, 882, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 ALA  HA           59 ASP  HB3         5.00    (#   1118:20  Unique         3.54, 3.54 A)
 &rst
  ixpk= 1118, nxpk= 20, iat= 833, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1119    59 ASP  HB3         6.00    (#   1119:20  Single Ambig)
 &rst
  ixpk= 1119, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 891, 862, 843,
 &end
#
#    0 AMB  20-2:1120    59 ASP  HB3         6.00    (#   1120:20  Single Ambig)
 &rst
  ixpk= 1120, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 894, 864,
 &end
#
#   79 ILE  HG12         59 ASP  HB3         5.00    (#   1121:20  Unique         2.70, 2.70 A)
 &rst
  ixpk= 1121, nxpk= 20, iat=1211, 882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1122    59 ASP  HB3         5.00    (#   1122:20  Single Ambig)
 &rst
  ixpk= 1122, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1211, 893,
 &end
#
#    0 AMB  20-2:1123    59 ASP  HB3         5.00    (#   1123:20  Single Ambig)
 &rst
  ixpk= 1123, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1211, 934,
 &end
#
#    0 AMB  20-2:1124    59 ASP  HB3         6.00    (#   1124:20  Single Ambig)
 &rst
  ixpk= 1124, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1211,1212,
 &end
#
#    0 AMB  20-2:1125    59 ASP  HB3         4.00    (#   1125:20  Single Ambig)
 &rst
  ixpk= 1125, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1211,1209,1208,
 &end
#
#    0 AMB  20-2:1126    59 ASP  HB3         4.00    (#   1126:20  Single Ambig)
 &rst
  ixpk= 1126, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1215,1216,1211,
 &end
#
#    0 AMB  20-2:1127    59 ASP  HB3         6.00    (#   1127:20  Single Ambig)
 &rst
  ixpk= 1127, nxpk= 20, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 937, 938,1266,
 &end
#
#   83 ASN  HA           83 ASN  HB2         4.00    (#   1128:20  Unique         2.39, 2.39 A)
 &rst
  ixpk= 1128, nxpk= 20, iat=1274,1276, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1129    83 ASN  HB2         6.00    (#   1129:20  Single Ambig)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1266,1319,1302,
 &end
#
#    0 AMB  20-2:1130    83 ASN  HB2         5.00    (#   1130:20  Single Ambig)
 &rst
  ixpk= 1130, nxpk= 20, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1287, 800,1266,
 &end
#
#    0 AMB  20-2:1131    83 ASN  HB2         6.00    (#   1131:20  Single Ambig)
 &rst
  ixpk= 1131, nxpk= 20, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1288,1266,
 &end
#
#    0 AMB  20-2:1132    83 ASN  HB2         5.00    (#   1132:20  Single Ambig)
 &rst
  ixpk= 1132, nxpk= 20, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1322,1290,1291,
 &end
#
#    0 AMB  20-2:1133    83 ASN  HB2         4.00    (#   1133:20  Single Ambig #mod1012)
 &rst
  ixpk= 1133, nxpk= 20, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1290,1291, 189,1321,
 &end
#
#    0 AMB  20-2:1134    83 ASN  HB2         6.00    (#   1134:20  Single Ambig #mod1012)
 &rst
  ixpk= 1134, nxpk= 20, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 836,1290, 837,1291, 835, 837,
 &end
#
#    0 AMB  20-2:1135    83 ASN  HB2         4.00    (#   1135:20  Single Ambig #mod1012)
 &rst
  ixpk= 1135, nxpk= 20, iat=  -1,1276, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1326,1327,1328,1330,1331,1332, 782, 784, 783,
 &end
#
#    0 AMB  20-2:1144    76 VAL  HB          6.00    (#   1144:20  Single Ambig)
 &rst
  ixpk= 1144, nxpk= 20, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1137, 955,1103,
 &end
#
#   76 VAL  HA           76 VAL  HB          6.00    (#   1146:20  Unique         2.98, 2.98 A)
 &rst
  ixpk= 1146, nxpk= 20, iat=1154,1156, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1147    76 VAL  HB          5.00    (#   1147:20  Single Ambig)
 &rst
  ixpk= 1147, nxpk= 20, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1205, 258,1175,1122, 896, 972,1123,1344, 255,
 &end
#
#    0 AMB  20-2:1148    76 VAL  HB          5.00    (#   1148:20  Single Ambig)
 &rst
  ixpk= 1148, nxpk= 20, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 411, 258,1175,1122, 896,1123,
 &end
#
#    0 AMB  20-2:1149    76 VAL  HB          5.00    (#   1149:20  Single Ambig)
 &rst
  ixpk= 1149, nxpk= 20, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 959, 957, 958, 258,1175,
 &end
#
#    0 AMB  20-2:1150    76 VAL  HB          4.00    (#   1150:20  Single Ambig)
 &rst
  ixpk= 1150, nxpk= 20, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1158,1160,1159,
 &end
#
#    0 AMB  20-2:1151    76 VAL  HB          3.00    (#   1151:20  Single Ambig)
 &rst
  ixpk= 1151, nxpk= 20, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 414, 416, 415,
 &end
#
#    0 AMB  20-2:1152    76 VAL  HB          5.00    (#   1152:20  Single Ambig)
 &rst
  ixpk= 1152, nxpk= 20, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 409, 408, 407,1181,
 &end
#
#    0 AMB  20-2:1153    76 VAL  HB          4.00    (#   1153:20  Single Ambig)
 &rst
  ixpk= 1153, nxpk= 20, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1164,1163,1162,
 &end
#
#    0 AMB  20-2:1154    76 VAL  HB          6.00    (#   1154:20  Single Ambig)
 &rst
  ixpk= 1154, nxpk= 20, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1235,1233,1234,
 &end
#
#    0 AMB  20-2:1155    60 LEU  HB3         6.00    (#   1155:20  Single Ambig)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1231,1229,1230,1233,1234,1235,
 &end
#
#  102 GLN  HA          102 GLN  HB3         4.00    (#   1156:20  Unique         2.40, 2.40 A)
 &rst
  ixpk= 1156, nxpk= 20, iat=1584,1587, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  103 PRO  HD2         102 GLN  HB3         5.00    (#   1157:20  Unique         4.83, 4.83 A)
 &rst
  ixpk= 1157, nxpk= 20, iat=1600,1587, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 PRO  HD3         102 GLN  HB3         5.00    (#   1158:20  Unique         5.14, 5.14 A)
 &rst
  ixpk= 1158, nxpk= 20, iat=1601,1587, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1159   102 GLN  HB3         4.00    (#   1159:20  Single Ambig)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1589,1590,
 &end
#
#    0 AMB  20-2:1162    64 LEU  HB2         4.00    (#   1162:20  Single Ambig)
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 967, 891,
 &end
#
#   61 LEU  HA           64 LEU  HB2         5.00    (#   1163:20  Unique         4.89, 4.89 A)
 &rst
  ixpk= 1163, nxpk= 20, iat= 910, 969, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1164    64 LEU  HB2         5.00    (#   1164:20  Single Ambig)
 &rst
  ixpk= 1164, nxpk= 20, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 972, 896,
 &end
#
#    0 AMB  20-2:1165    64 LEU  HB2         6.00    (#   1165:20  Single Ambig)
 &rst
  ixpk= 1165, nxpk= 20, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 239, 896, 893,
 &end
#
#    0 AMB  20-2:1166    64 LEU  HB2         6.00    (#   1166:20  Single Ambig)
 &rst
  ixpk= 1166, nxpk= 20, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1162, 261,1164, 262,1163,
 &end
#
#   88 ALA  HA           91 ILE  HB          5.00    (#   1167:20  Unique         2.49, 2.49 A)
 &rst
  ixpk= 1167, nxpk= 20, iat=1355,1397, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 ILE  HA           91 ILE  HB          5.00    (#   1168:20  Unique         2.99, 2.99 A)
 &rst
  ixpk= 1168, nxpk= 20, iat=1395,1397, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1169    61 LEU  HB2         5.00    (#   1169:20  Single Ambig)
 &rst
  ixpk= 1169, nxpk= 20, iat=  -1, 912, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 843, 862,
 &end
#
#   61 LEU  HA           61 LEU  HB2         4.00    (#   1170:20  Unique         2.49, 2.49 A)
 &rst
  ixpk= 1170, nxpk= 20, iat= 910, 912, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1171    80 LEU  HB2         6.00    (#   1171:20  Single Ambig)
 &rst
  ixpk= 1171, nxpk= 20, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1338,1120,1266, 891,
 &end
#
#   80 LEU  HA           80 LEU  HB2         5.00    (#   1172:20  Unique         2.94, 2.94 A)
 &rst
  ixpk= 1172, nxpk= 20, iat=1222,1224, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 LEU  HA           80 LEU  HB2         5.00    (#   1173:20  Unique         1.84, 1.84 A)
 &rst
  ixpk= 1173, nxpk= 20, iat=1170,1224, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1174    80 LEU  HB2         5.00    (#   1174:20  Single Ambig)
 &rst
  ixpk= 1174, nxpk= 20, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1344,1341,
 &end
#
#    0 AMB  20-2:1175    80 LEU  HB2         5.00    (#   1175:20  Single Ambig)
 &rst
  ixpk= 1175, nxpk= 20, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1173,1175,1341, 258,1250,1247, 896,
 &end
#
#    0 AMB  20-2:1177    80 LEU  HB2         4.00    (#   1177:20  Single Ambig)
 &rst
  ixpk= 1177, nxpk= 20, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1181,1183, 409,1182, 408, 481, 407, 479,
 &end
#
#   65 LYS  HA           65 LYS  HB3         5.00    (#   1178:20  Unique         2.63, 2.63 A)
 &rst
  ixpk= 1178, nxpk= 20, iat= 986, 989, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1179    65 LYS  HB3         5.00    (#   1179:20  Single Ambig)
 &rst
  ixpk= 1179, nxpk= 20, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 929,1018,
 &end
#
#    0 AMB  20-2:1180    65 LYS  HB3         5.00    (#   1180:20  Single Ambig)
 &rst
  ixpk= 1180, nxpk= 20, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 997, 998,
 &end
#
#   65 LYS  HG3          65 LYS  HB3         5.00    (#   1181:20  Unique         2.92, 2.92 A)
 &rst
  ixpk= 1181, nxpk= 20, iat= 992, 989, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1182    65 LYS  HB3         5.00    (#   1182:20  Single Ambig)
 &rst
  ixpk= 1182, nxpk= 20, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 241, 243, 242, 915, 917,
 &end
#
#    0 AMB  20-2:1183    52 ILE  HB          6.00    (#   1183:20  Single Ambig)
 &rst
  ixpk= 1183, nxpk= 20, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 767,1263,
 &end
#
#   52 ILE  HA           52 ILE  HB          4.00    (#   1185:20  Unique         2.99, 2.99 A)
 &rst
  ixpk= 1185, nxpk= 20, iat= 778, 780, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1186    52 ILE  HB          5.00    (#   1186:20  Single Ambig)
 &rst
  ixpk= 1186, nxpk= 20, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 800,1266, 769, 770,
 &end
#
#    0 AMB  20-2:1187    52 ILE  HB          6.00    (#   1187:20  Single Ambig)
 &rst
  ixpk= 1187, nxpk= 20, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1290,1291, 810, 720, 811,1293,
 &end
#
#    0 AMB  20-2:1188    52 ILE  HB          5.00    (#   1188:20  Single Ambig)
 &rst
  ixpk= 1188, nxpk= 20, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=  73,1290,1291, 810, 811,
 &end
#
#    0 AMB  20-2:1189    52 ILE  HB          5.00    (#   1189:20  Single Ambig)
 &rst
  ixpk= 1189, nxpk= 20, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1290,1291, 721,1294, 810, 811,
 &end
#
#   98 TYR  HD1          97 LYS  HD2         6.00    (#   1190:20  Unique         6.19, 6.19 A)
 &rst
  ixpk= 1190, nxpk= 20, iat=1529,1509, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   98 TYR  HE1          97 LYS  HD2         6.00    (#   1191:20  Unique         7.80, 7.80 A)
 &rst
  ixpk= 1191, nxpk= 20, iat=1531,1509, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1192    97 LYS  HD2         6.00    (#   1192:20  Single Ambig)
 &rst
  ixpk= 1192, nxpk= 20, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 297, 272,
 &end
#
#   97 LYS  HA           97 LYS  HD2         3.50    (#   1193:20  Unique         2.05, 2.05 A)
 &rst
  ixpk= 1193, nxpk= 20, iat=1501,1509, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1194    97 LYS  HD2         5.00    (#   1194:20  Single Ambig)
 &rst
  ixpk= 1194, nxpk= 20, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1512,1513,
 &end
#
#    0 AMB  20-2:1195    97 LYS  HD2         5.00    (#   1195:20  Single Ambig)
 &rst
  ixpk= 1195, nxpk= 20, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1504,1494,
 &end
#
#    0 AMB  20-2:1196    97 LYS  HD2         5.00    (#   1196:20  Single Ambig)
 &rst
  ixpk= 1196, nxpk= 20, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1506,1504,
 &end
#
#   97 LYS  HG3          97 LYS  HD2         5.00    (#   1197:20  Unique         2.59, 2.59 A)
 &rst
  ixpk= 1197, nxpk= 20, iat=1507,1509, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1198    94 ARG  HB3         6.00    (#   1198:20  Single Ambig)
 &rst
  ixpk= 1198, nxpk= 20, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1538,1383,
 &end
#
#   94 ARG  HA           94 ARG  HB3         5.00    (#   1199:20  Unique         2.56, 2.56 A)
 &rst
  ixpk= 1199, nxpk= 20, iat=1453,1456, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1200    94 ARG  HB3         6.00    (#   1200:20  Single Ambig)
 &rst
  ixpk= 1200, nxpk= 20, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1395, 513, 205,
 &end
#
#   94 ARG  HD2          94 ARG  HB3         6.00    (#   1201:20  Unique         3.11, 3.11 A)
 &rst
  ixpk= 1201, nxpk= 20, iat=1461,1456, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   94 ARG  HD3          94 ARG  HB3         6.00    (#   1202:20  Unique         3.70, 3.70 A)
 &rst
  ixpk= 1202, nxpk= 20, iat=1462,1456, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   94 ARG  HG3          94 ARG  HB3         5.00    (#   1203:20  Unique         2.47, 2.47 A)
 &rst
  ixpk= 1203, nxpk= 20, iat=1459,1456, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1204    94 ARG  HB3         5.00    (#   1204:20  Single Ambig)
 &rst
  ixpk= 1204, nxpk= 20, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 506, 507, 503, 505,
 &end
#
#    0 AMB  20-2:1205    94 ARG  HB3         6.00    (#   1205:20  Single Ambig)
 &rst
  ixpk= 1205, nxpk= 20, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 500, 498, 499,
 &end
#
#   65 LYS  HA           65 LYS  HG2         5.00    (#   1206:20  Unique         2.14, 2.14 A)
 &rst
  ixpk= 1206, nxpk= 20, iat= 986, 991, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 ARG  HA           65 LYS  HG2         6.00    (#   1207:20  Unique         5.31, 5.31 A)
 &rst
  ixpk= 1207, nxpk= 20, iat= 929, 991, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1208    65 LYS  HG2         5.00    (#   1208:20  Single Ambig)
 &rst
  ixpk= 1208, nxpk= 20, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 997, 998,
 &end
#
#   65 LYS  HB2          65 LYS  HG2         4.00    (#   1209:20  Unique         2.91, 2.91 A)
 &rst
  ixpk= 1209, nxpk= 20, iat= 988, 991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1210    65 LYS  HG2         4.00    (#   1210:20  Single Ambig)
 &rst
  ixpk= 1210, nxpk= 20, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 241, 242, 243,
 &end
#
#    0 AMB  20-2:1211    61 LEU  HB3         5.00    (#   1211:20  Single Ambig)
 &rst
  ixpk= 1211, nxpk= 20, iat=  -1, 913, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 862, 843, 929,
 &end
#
#   61 LEU  HA           61 LEU  HB3         5.00    (#   1212:20  Unique         2.95, 2.95 A)
 &rst
  ixpk= 1212, nxpk= 20, iat= 910, 913, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 LYS  HA           64 LEU  HB3         6.00    (#   1213:20  Unique         4.66, 4.66 A)
 &rst
  ixpk= 1213, nxpk= 20, iat= 986, 970, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1214    64 LEU  HB3         6.00    (#   1214:20  Single Ambig)
 &rst
  ixpk= 1214, nxpk= 20, iat=  -1, 970, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 234,1010,
 &end
#
#    0 AMB  20-2:1215    64 LEU  HB3         6.00    (#   1215:20  Single Ambig)
 &rst
  ixpk= 1215, nxpk= 20, iat=  -1, 970, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 264,1162, 266,1164, 265,
 &end
#
#   78 ASN  HA           77 LEU  HB3         6.00    (#   1216:20  Unique         3.89, 3.89 A)
 &rst
  ixpk= 1216, nxpk= 20, iat=1189,1173, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1217    77 LEU  HB3         5.00    (#   1217:20  Single Ambig)
 &rst
  ixpk= 1217, nxpk= 20, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1103,1241,1222,1120,
 &end
#
#   77 LEU  HA           77 LEU  HB3         4.00    (#   1218:20  Unique         2.98, 2.98 A)
 &rst
  ixpk= 1218, nxpk= 20, iat=1170,1173, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1219    77 LEU  HB3         6.00    (#   1219:20  Single Ambig)
 &rst
  ixpk= 1219, nxpk= 20, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1191,1125,1126,
 &end
#
#    0 AMB  20-2:1220    77 LEU  HB3         6.00    (#   1220:20  Single Ambig)
 &rst
  ixpk= 1220, nxpk= 20, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1122,1123,
 &end
#
#    0 AMB  20-2:1221    77 LEU  HB3         6.00    (#   1221:20  Single Ambig)
 &rst
  ixpk= 1221, nxpk= 20, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1122,1123,
 &end
#
#   82 SER  HB3          81 LYS  HG3         6.00    (#   1223:20  Unique         4.89, 4.89 A)
 &rst
  ixpk= 1223, nxpk= 20, iat=1266,1247, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1225    97 LYS  HG2         6.00    (#   1225:20  Single Ambig)
 &rst
  ixpk= 1225, nxpk= 20, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1529,1538,1383,
 &end
#
#    0 AMB  20-2:1226    97 LYS  HG2         6.00    (#   1226:20  Single Ambig)
 &rst
  ixpk= 1226, nxpk= 20, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1531,1536,
 &end
#
#    0 AMB  20-2:1227    97 LYS  HG2         5.00    (#   1227:20  Single Ambig)
 &rst
  ixpk= 1227, nxpk= 20, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 297, 272,
 &end
#
#   80 LEU  HA           80 LEU  HB3         5.00    (#   1229:20  Unique         2.56, 2.56 A)
 &rst
  ixpk= 1229, nxpk= 20, iat=1222,1225, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   77 LEU  HA           80 LEU  HB3         6.00    (#   1230:20  Unique         3.15, 3.15 A)
 &rst
  ixpk= 1230, nxpk= 20, iat=1170,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   87 MET  HG3          80 LEU  HB3         6.00    (#   1231:20  Unique         2.33, 2.33 A)
 &rst
  ixpk= 1231, nxpk= 20, iat=1344,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1232    80 LEU  HB3         5.00    (#   1232:20  Single Ambig)
 &rst
  ixpk= 1232, nxpk= 20, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1344,1341,1348,
 &end
#
#    0 AMB  20-2:1233    80 LEU  HB3         6.00    (#   1233:20  Single Ambig)
 &rst
  ixpk= 1233, nxpk= 20, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1178,1179,1177, 258,
 &end
#
#    0 AMB  20-2:1234    80 LEU  HB3         5.00    (#   1234:20  Single Ambig)
 &rst
  ixpk= 1234, nxpk= 20, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1181,1183, 409,1182, 481, 479, 408, 477, 407,
 &end
#
#    0 AMB  20-2:1235    80 LEU  HB3         5.00    (#   1235:20  Single Ambig)
 &rst
  ixpk= 1235, nxpk= 20, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1230,1229,1231,
 &end
#
#    0 AMB  20-2:1236    80 LEU  HB3         5.00    (#   1236:20  Single Ambig)
 &rst
  ixpk= 1236, nxpk= 20, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1233,1234,1235,
 &end
#
#    0 AMB  20-2:1237    97 LYS  HG3         6.00    (#   1237:20  Single Ambig)
 &rst
  ixpk= 1237, nxpk= 20, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1529,1538,
 &end
#
#    0 AMB  20-2:1238    97 LYS  HG3         6.00    (#   1238:20  Single Ambig)
 &rst
  ixpk= 1238, nxpk= 20, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1531,1536,
 &end
#
#    0 AMB  20-2:1239    97 LYS  HG3         6.00    (#   1239:20  Single Ambig)
 &rst
  ixpk= 1239, nxpk= 20, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 297, 272,
 &end
#
#    0 AMB  20-2:1240    91 ILE  HG13        6.00    (#   1240:20  Single Ambig)
 &rst
  ixpk= 1240, nxpk= 20, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1387,1385,1383,
 &end
#
#   90 PHE  HD2          91 ILE  HG13        6.00    (#   1241:20  Unique         3.24, 3.24 A)
 &rst
  ixpk= 1241, nxpk= 20, iat=1389,1404, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   88 ALA  HA           91 ILE  HG13        6.00    (#   1242:20  Unique         3.56, 3.56 A)
 &rst
  ixpk= 1242, nxpk= 20, iat=1355,1404, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1243    91 ILE  HG13        6.00    (#   1243:20  Single Ambig)
 &rst
  ixpk= 1243, nxpk= 20, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1343,1341,1344,
 &end
#
#    0 AMB  20-2:1245    91 ILE  HG13        6.00    (#   1245:20  Single Ambig)
 &rst
  ixpk= 1245, nxpk= 20, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1341,1344, 258,1422,1423, 496,
 &end
#
#    0 AMB  20-2:1246    91 ILE  HG13        6.00    (#   1246:20  Single Ambig)
 &rst
  ixpk= 1246, nxpk= 20, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 471,1341, 258,1422,
 &end
#
#    0 AMB  20-2:1247    91 ILE  HG13        6.00    (#   1247:20  Single Ambig)
 &rst
  ixpk= 1247, nxpk= 20, iat=  -1,1404, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 476, 477, 475,
 &end
#
#    0 AMB  20-2:1249    79 ILE  HG13        6.00    (#   1249:20  Single Ambig)
 &rst
  ixpk= 1249, nxpk= 20, iat=  -1,1212, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 833,1266,
 &end
#
#    0 AMB  20-2:1250    79 ILE  HG13        6.00    (#   1250:20  Single Ambig)
 &rst
  ixpk= 1250, nxpk= 20, iat=  -1,1212, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 891,1266,
 &end
#
#    0 AMB  20-2:1251    79 ILE  HG13        6.00    (#   1251:20  Single Ambig)
 &rst
  ixpk= 1251, nxpk= 20, iat=  -1,1212, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1154,1266,
 &end
#
#   78 ASN  HB3          79 ILE  HG13        6.00    (#   1252:20  Unique         3.12, 3.12 A)
 &rst
  ixpk= 1252, nxpk= 20, iat=1192,1212, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1253    79 ILE  HG13        5.00    (#   1253:20  Single Ambig)
 &rst
  ixpk= 1253, nxpk= 20, iat=  -1,1212, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1191, 881,
 &end
#
#   59 ASP  HB3          79 ILE  HG13        6.00    (#   1254:20  Unique         4.08, 4.08 A)
 &rst
  ixpk= 1254, nxpk= 20, iat= 882,1212, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1259     0 AMB  20-1:1259   6.00    (#   1259:20  Double Ambig)
 &rst
  ixpk= 1259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1387,1385,
 igr2=1175,1327,1328,
 &end
#
#   90 PHE  HD2           0 AMB  20-1:1260   6.00    (#   1260:20  Single Ambig)
 &rst
  ixpk= 1260, nxpk= 20, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1327,1328,1175,1326,
 &end
#
#    0 AMB  20-2:1261     0 AMB  20-1:1261   6.00    (#   1261:20  Double Ambig)
 &rst
  ixpk= 1261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1319,1266,
 igr2=1327,1326,1328,
 &end
#
#    0 AMB  20-2:1262     0 AMB  20-1:1262   5.00    (#   1262:20  Double Ambig)
 &rst
  ixpk= 1262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1222, 910,
 igr2=1327,1328, 915,1326,
 &end
#
#    0 AMB  20-2:1263     0 AMB  20-1:1263   6.00    (#   1263:20  Double Ambig)
 &rst
  ixpk= 1263, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 998,1344, 997,1377,
 igr2= 915,1327,1328,1326,
 &end
#
#    0 AMB  20-2:1264     0 AMB  20-1:1264   6.00    (#   1264:20  Double Ambig)
 &rst
  ixpk= 1264, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1225, 896,1341, 258,
 igr2=1327,1328,1326,1175,
 &end
#
#    0 AMB  20-2:1265     0 AMB  20-1:1265   5.00    (#   1265:20  Double Ambig)
 &rst
  ixpk= 1265, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 262, 261,1211, 260,
 igr2=1328,1327,
 &end
#
#    0 AMB  20-2:1266     0 AMB  20-1:1266   5.00    (#   1266:20  Double Ambig)
 &rst
  ixpk= 1266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1229,1230,1231,
 igr2=1175,1327,1328,1326,
 &end
#
#    0 AMB  20-2:1267     0 AMB  20-1:1267   6.00    (#   1267:20  Double Ambig)
 &rst
  ixpk= 1267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1234,1233,
 igr2=1327,1328,1326,
 &end
#
#    0 AMB  20-2:1268     0 AMB  20-1:1268   6.00    (#   1268:20  Double Ambig)
 &rst
  ixpk= 1268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1387,1385,
 igr2=1408,1406,1407,
 &end
#
#    0 AMB  20-2:1269     0 AMB  20-1:1269   5.00    (#   1269:20  Double Ambig)
 &rst
  ixpk= 1269, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1389,1381,
 igr2=1408,1406,1407,
 &end
#
#    0 AMB  20-2:1270     0 AMB  20-1:1270   5.00    (#   1270:20  Double Ambig)
 &rst
  ixpk= 1270, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 468,1302,
 igr2=1408,1407,1406,
 &end
#
#   91 ILE  HA            0 AMB  20-1:1271   4.00    (#   1271:20  Single Ambig)
 &rst
  ixpk= 1271, nxpk= 20, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1407,1406,1408,
 &end
#
#   90 PHE  HB3           0 AMB  20-1:1272   6.00    (#   1272:20  Single Ambig)
 &rst
  ixpk= 1272, nxpk= 20, iat=1378,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1406,1408,1407,
 &end
#
#    0 AMB  20-2:1273     0 AMB  20-1:1273   6.00    (#   1273:20  Double Ambig)
 &rst
  ixpk= 1273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1341,1343,1344,1426,
 igr2=1406,1408,1407,
 &end
#
#   80 LEU  HD21          0 AMB  20-1:1274   6.00    (#   1274:20  Single Ambig)
 &rst
  ixpk= 1274, nxpk= 20, iat=1233,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1406,1408,
 &end
#
#    0 AMB  20-2:1275    84 PRO  HD3         6.00    (#   1275:20  Single Ambig)
 &rst
  ixpk= 1275, nxpk= 20, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 784, 782, 783,
 &end
#
#   65 LYS  HA            0 AMB  20-1:1276   6.00    (#   1276:20  Single Ambig)
 &rst
  ixpk= 1276, nxpk= 20, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 997, 998,
 &end
#
#   62 ARG  HA            0 AMB  20-1:1277   6.00    (#   1277:20  Single Ambig)
 &rst
  ixpk= 1277, nxpk= 20, iat= 929,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 997, 998,
 &end
#
#    0 AMB  20-2:1278     0 AMB  20-1:1278   6.00    (#   1278:20  Double Ambig)
 &rst
  ixpk= 1278, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 988, 915,
 igr2= 997, 998,
 &end
#
#    0 AMB  20-2:1279     0 AMB  20-1:1279   6.00    (#   1279:20  Double Ambig)
 &rst
  ixpk= 1279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 994, 995,
 igr2= 998, 997,
 &end
#
#    0 AMB  20-2:1280     0 AMB  20-1:1280   6.00    (#   1280:20  Double Ambig)
 &rst
  ixpk= 1280, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 992, 915,
 igr2= 997, 998,
 &end
#
#    0 AMB  20-2:1281     0 AMB  20-1:1281   6.00    (#   1281:20  Double Ambig)
 &rst
  ixpk= 1281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 915, 242, 243, 241, 917, 919,
 igr2= 998, 997,
 &end
#
#   98 TYR  HD1           0 AMB  20-1:1282   6.00    (#   1282:20  Single Ambig)
 &rst
  ixpk= 1282, nxpk= 20, iat=1529,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1512,1513,
 &end
#
#   98 TYR  HE1           0 AMB  20-1:1283   6.00    (#   1283:20  Single Ambig)
 &rst
  ixpk= 1283, nxpk= 20, iat=1531,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1512,1513,
 &end
#
#   97 LYS  HA            0 AMB  20-1:1286   6.00    (#   1286:20  Single Ambig)
 &rst
  ixpk= 1286, nxpk= 20, iat=1501,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1512,1513,
 &end
#
#    0 AMB  20-2:1287     0 AMB  20-1:1287   6.00    (#   1287:20  Double Ambig)
 &rst
  ixpk= 1287, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1589,1590,
 igr2=1512,1513,
 &end
#
#    0 AMB  20-2:1288     0 AMB  20-1:1288   6.00    (#   1288:20  Double Ambig)
 &rst
  ixpk= 1288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 301,1506, 302, 303,1504,
 igr2=1513,1512,
 &end
#
#   97 LYS  HG3           0 AMB  20-1:1289   6.00    (#   1289:20  Single Ambig)
 &rst
  ixpk= 1289, nxpk= 20, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1512,1513,
 &end
#
#  103 PRO  HA          103 PRO  HB2         6.00    (#   1290:20  Unique         2.73, 2.73 A)
 &rst
  ixpk= 1290, nxpk= 20, iat=1609,1606, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  100 ALA  HA          103 PRO  HB2         6.50    (#   1291:20  Unique         6.30, 6.30 A#releaseto6.5on0924)
 &rst
  ixpk= 1291, nxpk= 20, iat=1560,1606, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#  103 PRO  HG2         103 PRO  HB2         6.00    (#   1292:20  Unique         2.37, 2.37 A)
 &rst
  ixpk= 1292, nxpk= 20, iat=1603,1606, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  103 PRO  HB3         103 PRO  HB2         6.00    (#   1293:20  Unique         1.75, 1.75 A)
 &rst
  ixpk= 1293, nxpk= 20, iat=1607,1606, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1299   103 PRO  HB2         6.00    (#   1299:20  Single Ambig)
 &rst
  ixpk= 1299, nxpk= 20, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1549,1548,1552,1550,1554,
 &end
#
#    0 AMB  20-2:1300   103 PRO  HB2         6.00    (#   1300:20  Single Ambig)
 &rst
  ixpk= 1300, nxpk= 20, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1549,1548,1552,1550,1554,
 &end
#
#   98 TYR  HD1           0 AMB  20-1:1304   6.00    (#   1304:20  Single Ambig)
 &rst
  ixpk= 1304, nxpk= 20, iat=1529,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1590,1589,
 &end
#
#    0 AMB  20-2:1305    91 ILE  HB          6.00    (#   1305:20  Single Ambig)
 &rst
  ixpk= 1305, nxpk= 20, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1389,1381,
 &end
#
#    0 AMB  20-2:1306    91 ILE  HB          6.00    (#   1306:20  Single Ambig)
 &rst
  ixpk= 1306, nxpk= 20, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 476, 475, 477, 479,
 &end
#
#    0 AMB  20-2:1307    79 ILE  HB          6.00    (#   1307:20  Single Ambig)
 &rst
  ixpk= 1307, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 891,1266,
 &end
#
#   79 ILE  HA           79 ILE  HB          6.00    (#   1308:20  Unique         2.99, 2.99 A)
 &rst
  ixpk= 1308, nxpk= 20, iat=1203,1205, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 VAL  HA           79 ILE  HB          6.00    (#   1309:20  Unique         3.08, 3.08 A)
 &rst
  ixpk= 1309, nxpk= 20, iat=1154,1205, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1310    79 ILE  HB          6.00    (#   1310:20  Single Ambig)
 &rst
  ixpk= 1310, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 881,1191,
 &end
#
#   59 ASP  HB3          79 ILE  HB          6.00    (#   1311:20  Unique         4.68, 4.68 A)
 &rst
  ixpk= 1311, nxpk= 20, iat= 882,1205, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1312    79 ILE  HB          6.00    (#   1312:20  Single Ambig)
 &rst
  ixpk= 1312, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 894,1156,1122,
 &end
#
#    0 AMB  20-2:1313    79 ILE  HB          6.00    (#   1313:20  Single Ambig)
 &rst
  ixpk= 1313, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1211, 893,
 &end
#
#    0 AMB  20-2:1314    79 ILE  HB          6.00    (#   1314:20  Single Ambig)
 &rst
  ixpk= 1314, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1211, 266,1162,
 &end
#
#    0 AMB  20-2:1315    79 ILE  HB          6.00    (#   1315:20  Single Ambig)
 &rst
  ixpk= 1315, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1211,1229,
 &end
#
#    0 AMB  20-2:1316    80 LEU  HB2         6.00    (#   1316:20  Single Ambig)
 &rst
  ixpk= 1316, nxpk= 20, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 266, 265, 264,1164,1163,1211,
 &end
#
#    0 AMB  20-2:1317    80 LEU  HB2         6.00    (#   1317:20  Single Ambig)
 &rst
  ixpk= 1317, nxpk= 20, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1344,1348,1347,1175,1341, 258,1243,1349,
 &end
#
#    0 AMB  20-2:1318    80 LEU  HG          6.00    (#   1318:20  Single Ambig)
 &rst
  ixpk= 1318, nxpk= 20, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 891, 253, 184,1266,1120,
 &end
#
#   80 LEU  HA           80 LEU  HG          6.00    (#   1319:20  Unique         2.55, 2.55 A)
 &rst
  ixpk= 1319, nxpk= 20, iat=1222,1227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1320    80 LEU  HG          6.00    (#   1320:20  Single Ambig)
 &rst
  ixpk= 1320, nxpk= 20, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1170,1203,
 &end
#
#    0 AMB  20-2:1321    80 LEU  HG          6.00    (#   1321:20  Single Ambig)
 &rst
  ixpk= 1321, nxpk= 20, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1225, 258, 896,
 &end
#
#    0 AMB  20-2:1322    80 LEU  HG          6.00    (#   1322:20  Single Ambig)
 &rst
  ixpk= 1322, nxpk= 20, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 258, 896,1178, 414, 975,1177, 976, 416,1179,1211,
      
 &end
#
#    0 AMB  20-2:1323    80 LEU  HG          6.00    (#   1323:20  Single Ambig)
 &rst
  ixpk= 1323, nxpk= 20, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 409,1181, 408, 407, 481,1182,1211,1183,
 &end
#
#    0 AMB  20-2:1324    80 LEU  HG          6.00    (#   1324:20  Single Ambig)
 &rst
  ixpk= 1324, nxpk= 20, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 266, 265,
 &end
#
#   78 ASN  HA           81 LYS  HD2         6.00    (#   1325:20  Unique         4.11, 4.11 A)
 &rst
  ixpk= 1325, nxpk= 20, iat=1189,1249, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1326    81 LYS  HD2         6.00    (#   1326:20  Single Ambig)
 &rst
  ixpk= 1326, nxpk= 20, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1241,1266,
 &end
#
#    0 AMB  20-2:1327    81 LYS  HD2         6.00    (#   1327:20  Single Ambig)
 &rst
  ixpk= 1327, nxpk= 20, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1266,1170,
 &end
#
#   87 MET  HG3          81 LYS  HD2         6.50    (#   1328:20  Unique         7.70, 7.70 A =>released6.0to6.5on1009)
 &rst
  ixpk= 1328, nxpk= 20, iat=1344,1249, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#   81 LYS  HB2          81 LYS  HD2         6.00    (#   1329:20  Unique         2.66, 2.66 A)
 &rst
  ixpk= 1329, nxpk= 20, iat=1243,1249, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   81 LYS  HB3          81 LYS  HD2         6.00    (#   1330:20  Unique         2.87, 2.87 A)
 &rst
  ixpk= 1330, nxpk= 20, iat=1244,1249, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1332    64 LEU  HB3         6.00    (#   1332:20  Single Ambig)
 &rst
  ixpk= 1332, nxpk= 20, iat=  -1, 970, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 896, 957, 959, 958, 915,
 &end
#
#   15 THR  HB            0 AMB  20-1:1333   6.00    (#   1333:20  Single Ambig)
 &rst
  ixpk= 1333, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 919, 917, 918,
 &end
#
#    0 AMB  20-2:1334     0 AMB  20-1:1334   6.00    (#   1334:20  Double Ambig)
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 136, 117,
 igr2= 918, 919, 917,
 &end
#
#   61 LEU  HA            0 AMB  20-1:1335   6.00    (#   1335:20  Single Ambig)
 &rst
  ixpk= 1335, nxpk= 20, iat= 910,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 917, 918,
 &end
#
#   12 GLN  HB2           0 AMB  20-1:1336   6.00    (#   1336:20  Single Ambig)
 &rst
  ixpk= 1336, nxpk= 20, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 918, 919,
 &end
#
#    0 AMB  20-2:1338     0 AMB  20-1:1338   6.00    (#   1338:20  Double Ambig)
 &rst
  ixpk= 1338, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 915, 913,
 igr2= 919, 917, 918,
 &end
#
#   61 LEU  HG            0 AMB  20-1:1339   6.00    (#   1339:20  Single Ambig)
 &rst
  ixpk= 1339, nxpk= 20, iat= 915,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 919, 917, 918,
 &end
#
#    0 AMB  20-2:1340     0 AMB  20-1:1340   6.00    (#   1340:20  Double Ambig)
 &rst
  ixpk= 1340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 997, 998,
 igr2= 917, 919, 918,
 &end
#
#   12 GLN  HG2           0 AMB  20-1:1341   6.00    (#   1341:20  Single Ambig)
 &rst
  ixpk= 1341, nxpk= 20, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 919, 918, 917,
 &end
#
#    0 AMB  20-2:1342     0 AMB  20-1:1342   6.00    (#   1342:20  Double Ambig)
 &rst
  ixpk= 1342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1383,1385,1387,
 igr2= 980, 978, 979,
 &end
#
#    0 AMB  20-2:1343     0 AMB  20-1:1343   6.00    (#   1343:20  Double Ambig)
 &rst
  ixpk= 1343, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1381,1389,
 igr2= 980, 978, 979,
 &end
#
#    0 AMB  20-2:1344     0 AMB  20-1:1344   6.00    (#   1344:20  Double Ambig)
 &rst
  ixpk= 1344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 955, 234,
 igr2= 978, 979, 980,
 &end
#
#    0 AMB  20-2:1345     0 AMB  20-1:1345   6.00    (#   1345:20  Double Ambig)
 &rst
  ixpk= 1345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 910,1375,1222, 275,
 igr2= 979, 978, 980,
 &end
#
#    0 AMB  20-2:1346     0 AMB  20-1:1346   6.00    (#   1346:20  Double Ambig)
 &rst
  ixpk= 1346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 894,1156, 405,
 igr2= 979, 978, 980,
 &end
#
#    0 AMB  20-2:1347     0 AMB  20-1:1347   6.00    (#   1347:20  Double Ambig)
 &rst
  ixpk= 1347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 969, 896,
 igr2= 978, 979, 980,
 &end
#
#    0 AMB  20-2:1348     0 AMB  20-1:1348   6.00    (#   1348:20  Double Ambig)
 &rst
  ixpk= 1348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 972, 896, 255, 258,
 igr2= 979, 980, 978,
 &end
#
#    0 AMB  20-2:1349     0 AMB  20-1:1349   6.00    (#   1349:20  Double Ambig)
 &rst
  ixpk= 1349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 239, 896,
 igr2= 979, 978, 980,
 &end
#
#    0 AMB  20-2:1350     0 AMB  20-1:1350   6.00    (#   1350:20  Double Ambig)
 &rst
  ixpk= 1350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 970, 896, 258,
 igr2= 979, 978, 980,
 &end
#
#    0 AMB  20-2:1351     0 AMB  20-1:1351   6.00    (#   1351:20  Double Ambig)
 &rst
  ixpk= 1351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 896, 258, 957, 959,
 igr2= 979, 978, 980,
 &end
#
#    0 AMB  20-2:1352     0 AMB  20-1:1352   6.00    (#   1352:20  Double Ambig)
 &rst
  ixpk= 1352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1231,1229,1230,
 igr2= 980, 978, 979,
 &end
#
#    0 AMB  20-2:1353     0 AMB  20-1:1353   6.00    (#   1353:20  Double Ambig)
 &rst
  ixpk= 1353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 261, 262,
 igr2= 980, 978,
 &end
#
#    0 AMB  20-2:1354     0 AMB  20-1:1354   6.00    (#   1354:20  Double Ambig)
 &rst
  ixpk= 1354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1235,1234,1233,
 igr2= 980, 978, 979,
 &end
#
#   54 PRO  HA            0 AMB  20-1:1355   6.00    (#   1355:20  Single Ambig)
 &rst
  ixpk= 1355, nxpk= 20, iat= 816,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 855, 854,
 &end
#
#    0 AMB  20-2:1357     0 AMB  20-1:1357   6.00    (#   1357:20  Double Ambig)
 &rst
  ixpk= 1357, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 811, 864, 810,
 igr2= 854, 855, 856,
 &end
#
#    0 AMB  20-2:1358     0 AMB  20-1:1358   6.00    (#   1358:20  Double Ambig)
 &rst
  ixpk= 1358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 811, 122, 810,
 igr2= 854, 855, 856,
 &end
#
#    0 AMB  20-2:1359     0 AMB  20-1:1359   6.00    (#   1359:20  Double Ambig)
 &rst
  ixpk= 1359, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 811, 122, 119, 810,
 igr2= 854, 855, 856,
 &end
#
#    0 AMB  20-2:1360     0 AMB  20-1:1360   6.00    (#   1360:20  Double Ambig)
 &rst
  ixpk= 1360, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 120, 811, 122, 810,
 igr2= 854, 855, 856,
 &end
#
#    0 AMB  20-2:1361     0 AMB  20-1:1361   6.00    (#   1361:20  Double Ambig)
 &rst
  ixpk= 1361, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1385,1387,1383,
 igr2=1164,1163,1162,
 &end
#
#    0 AMB  20-2:1363     0 AMB  20-1:1363   6.00    (#   1363:20  Double Ambig)
 &rst
  ixpk= 1363, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 955,1137,1103,1086,
 igr2=1162,1163,1164,
 &end
#
#    0 AMB  20-2:1364     0 AMB  20-1:1364   6.00    (#   1364:20  Double Ambig)
 &rst
  ixpk= 1364, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 347, 967,
 igr2=1164,1163,1162,
 &end
#
#    0 AMB  20-2:1365     0 AMB  20-1:1365   6.00    (#   1365:20  Double Ambig)
 &rst
  ixpk= 1365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1103,1086,
 igr2=1163,1164,1162,
 &end
#
#    0 AMB  20-2:1366     0 AMB  20-1:1366   6.00    (#   1366:20  Double Ambig)
 &rst
  ixpk= 1366, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 403,1103,1086,
 igr2=1163,1164,1162,
 &end
#
#    0 AMB  20-2:1367     0 AMB  20-1:1367   6.00    (#   1367:20  Double Ambig)
 &rst
  ixpk= 1367, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1072,1172,1227, 258, 896,1071, 356,1122,1224,1074,
      1123, 255,
 igr2=1163,1162,1164,
 &end
#
#    0 AMB  20-2:1368     0 AMB  20-1:1368   6.00    (#   1368:20  Double Ambig)
 &rst
  ixpk= 1368, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
 igr1=1072, 258, 896,1071, 239,1122,1123,
 igr2=1163,1162,1164,
 &end
#
#    0 AMB  20-2:1369     0 AMB  20-1:1369   6.00    (#   1369:20  Double Ambig)
 &rst
  ixpk= 1369, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 957, 959, 958,
 igr2=1162,1164,1163,
 &end
#
#   28 ILE  HG13          0 AMB  20-1:1370   6.00    (#   1370:20  Single Ambig)
 &rst
  ixpk= 1370, nxpk= 20, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1164,1163,
 &end
#
#    0 AMB  20-2:1371     0 AMB  20-1:1371   6.00    (#   1371:20  Double Ambig)
 &rst
  ixpk= 1371, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 409, 408, 407,1182,1181, 481,
 igr2=1164,1163,1162,
 &end
#
#    0 AMB  20-2:1372     0 AMB  20-1:1372   6.00    (#   1372:20  Double Ambig)
 &rst
  ixpk= 1372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1231,1229,1230,
 igr2=1164,1163,1162,
 &end
#
#   80 LEU  HD23          0 AMB  20-1:1373   6.00    (#   1373:20  Single Ambig)
 &rst
  ixpk= 1373, nxpk= 20, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1164,1162,1163,
 &end
#
#    0 AMB  20-2:1374     0 AMB  20-1:1374   6.00    (#   1374:20  Double Ambig)
 &rst
  ixpk= 1374, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1387,1385,
 igr2=1230,1231,1229,
 &end
#
#   90 PHE  HD2           0 AMB  20-1:1375   6.00    (#   1375:20  Single Ambig)
 &rst
  ixpk= 1375, nxpk= 20, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1230,1231,
 &end
#
#    0 AMB  20-2:1376     0 AMB  20-1:1376   6.00    (#   1376:20  Double Ambig)
 &rst
  ixpk= 1376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 354,1189,
 igr2=1231,1229,1230,
 &end
#
#    0 AMB  20-2:1378     0 AMB  20-1:1378   6.00    (#   1378:20  Double Ambig)
 &rst
  ixpk= 1378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 253,1120, 348, 891,
 igr2=1231,1229,1230,
 &end
#
#   77 LEU  HA            0 AMB  20-1:1379   6.00    (#   1379:20  Single Ambig)
 &rst
  ixpk= 1379, nxpk= 20, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1229,1230,
 &end
#
#    0 AMB  20-2:1380     0 AMB  20-1:1380   6.00    (#   1380:20  Double Ambig)
 &rst
  ixpk= 1380, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 206,1378,
 igr2=1231,1230,1229,
 &end
#
#   76 VAL  HA            0 AMB  20-1:1381   6.00    (#   1381:20  Single Ambig)
 &rst
  ixpk= 1381, nxpk= 20, iat=1154,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1229,1231,1230,
 &end
#
#    0 AMB  20-2:1382     0 AMB  20-1:1382   6.00    (#   1382:20  Double Ambig)
 &rst
  ixpk= 1382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1344,1377,
 igr2=1230,1231,1229,
 &end
#
#   87 MET  HG3           0 AMB  20-1:1383   6.00    (#   1383:20  Single Ambig)
 &rst
  ixpk= 1383, nxpk= 20, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1230,1229,1231,
 &end
#
#    0 AMB  20-2:1384     0 AMB  20-1:1384   6.00    (#   1384:20  Double Ambig)
 &rst
  ixpk= 1384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1343,1344,
 igr2=1230,1229,1231,
 &end
#
#    0 AMB  20-2:1385     0 AMB  20-1:1385   6.00    (#   1385:20  Double Ambig)
 &rst
  ixpk= 1385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1344,1341,
 igr2=1230,1229,1231,
 &end
#
#    0 AMB  20-2:1386     0 AMB  20-1:1386   6.00    (#   1386:20  Double Ambig)
 &rst
  ixpk= 1386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 258,1341,1175,
 igr2=1231,1230,1229,
 &end
#
#    0 AMB  20-2:1387     0 AMB  20-1:1387   6.00    (#   1387:20  Double Ambig)
 &rst
  ixpk= 1387, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 258,1173,1341,1175,
 igr2=1231,1230,1229,
 &end
#
#    0 AMB  20-2:1388     0 AMB  20-1:1388   6.00    (#   1388:20  Double Ambig)
 &rst
  ixpk= 1388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 258,1225,
 igr2=1231,1230,1229,
 &end
#
#    0 AMB  20-2:1389     0 AMB  20-1:1389   6.00    (#   1389:20  Double Ambig)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1158, 258,1160,1159,
 igr2=1231,1229,1230,
 &end
#
#    0 AMB  20-2:1390     0 AMB  20-1:1390   6.00    (#   1390:20  Double Ambig)
 &rst
  ixpk= 1390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1181,1182,1183,
 igr2=1230,1229,1231,
 &end
#
#    0 AMB  20-2:1391     0 AMB  20-1:1391   6.00    (#   1391:20  Double Ambig)
 &rst
  ixpk= 1391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 266, 265, 264,
 igr2=1231,1229,1230,
 &end
#
#    0 AMB  20-2:1392     0 AMB  20-1:1392   6.00    (#   1392:20  Double Ambig)
 &rst
  ixpk= 1392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1387,1385,1383,
 igr2=1233,1235,1234,
 &end
#
#   90 PHE  HD2           0 AMB  20-1:1393   6.00    (#   1393:20  Single Ambig)
 &rst
  ixpk= 1393, nxpk= 20, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1233,1235,1234,
 &end
#
#    0 AMB  20-2:1394     0 AMB  20-1:1394   6.00    (#   1394:20  Double Ambig)
 &rst
  ixpk= 1394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1= 253, 184, 891,1266, 136,
 igr2=1235,1234,1233,
 &end
#
#   80 LEU  HA            0 AMB  20-1:1395   6.00    (#   1395:20  Single Ambig)
 &rst
  ixpk= 1395, nxpk= 20, iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1234,1233,
 &end
#
#    0 AMB  20-2:1396     0 AMB  20-1:1396   6.00    (#   1396:20  Double Ambig)
 &rst
  ixpk= 1396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1170,1203,1266,
 igr2=1233,1234,1235,
 &end
#
#    0 AMB  20-2:1397     0 AMB  20-1:1397   6.00    (#   1397:20  Double Ambig)
 &rst
  ixpk= 1397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 206,1378,
 igr2=1235,1233,1234,
 &end
#
#    0 AMB  20-2:1398     0 AMB  20-1:1398   6.00    (#   1398:20  Double Ambig)
 &rst
  ixpk= 1398, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1377,1344,
 igr2=1235,1233,1234,
 &end
#
#    0 AMB  20-2:1399     0 AMB  20-1:1399   6.00    (#   1399:20  Double Ambig)
 &rst
  ixpk= 1399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1343,1344,1341,
 igr2=1233,1235,1234,
 &end
#
#    0 AMB  20-2:1400     0 AMB  20-1:1400   6.00    (#   1400:20  Double Ambig)
 &rst
  ixpk= 1400, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1344,1341,
 igr2=1233,1234,1235,
 &end
#
#    0 AMB  20-2:1401     0 AMB  20-1:1401   6.00    (#   1401:20  Double Ambig)
 &rst
  ixpk= 1401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1344,1341,1156, 894,
 igr2=1233,1234,1235,
 &end
#
#    0 AMB  20-2:1402     0 AMB  20-1:1402   6.00    (#   1402:20  Double Ambig)
 &rst
  ixpk= 1402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1= 258,1344,1341,1347, 896,
 igr2=1235,1233,1234,
 &end
#
#    0 AMB  20-2:1403     0 AMB  20-1:1403   6.00    (#   1403:20  Double Ambig)
 &rst
  ixpk= 1403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 258,1341,
 igr2=1235,1233,1234,
 &end
#
#    0 AMB  20-2:1404     0 AMB  20-1:1404   6.00    (#   1404:20  Double Ambig)
 &rst
  ixpk= 1404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1225, 258,
 igr2=1233,1235,1234,
 &end
#
#    0 AMB  20-2:1405     0 AMB  20-1:1405   6.00    (#   1405:20  Double Ambig)
 &rst
  ixpk= 1405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1330, 258,1332,1331,
 igr2=1234,1235,1233,
 &end
#
#    0 AMB  20-2:1406     0 AMB  20-1:1406   6.00    (#   1406:20  Double Ambig)
 &rst
  ixpk= 1406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1181, 409, 477, 481, 476, 479,1183, 407, 408,1182,
       475, 480,
 igr2=1233,1235,1234,
 &end
#
#    0 AMB  20-2:1407     0 AMB  20-1:1407   6.00    (#   1407:20  Double Ambig)
 &rst
  ixpk= 1407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 266, 265,
 igr2=1235,1234,
 &end
#
#   90 PHE  HE1          94 ARG  HD3         6.00    (#   1408:20  Unique         2.37, 2.37 A)
 &rst
  ixpk= 1408, nxpk= 20, iat=1383,1462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 PHE  HD1          94 ARG  HD3         6.00    (#   1409:20  Unique         3.96, 3.96 A)
 &rst
  ixpk= 1409, nxpk= 20, iat=1381,1462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 LEU  HA           94 ARG  HD3         6.00    (#   1410:20  Unique         3.15, 3.15 A)
 &rst
  ixpk= 1410, nxpk= 20, iat= 354,1462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 SER  HA           94 ARG  HD3         6.00    (#   1411:20  Unique         3.18, 3.18 A)
 &rst
  ixpk= 1411, nxpk= 20, iat= 272,1462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1413    94 ARG  HD3         6.00    (#   1413:20  Single Ambig)
 &rst
  ixpk= 1413, nxpk= 20, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1455,1504, 258,
 &end
#
#    0 AMB  20-2:1414    94 ARG  HD3         6.00    (#   1414:20  Single Ambig)
 &rst
  ixpk= 1414, nxpk= 20, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 256, 258,1507,
 &end
#
#    0 AMB  20-2:1415    94 ARG  HD3         6.00    (#   1415:20  Single Ambig)
 &rst
  ixpk= 1415, nxpk= 20, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 475, 477, 407, 409, 476,
 &end
#
#    0 AMB  20-2:1416    94 ARG  HD3         6.00    (#   1416:20  Single Ambig)
 &rst
  ixpk= 1416, nxpk= 20, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 500, 264, 266, 265,
 &end
#
#    0 AMB  20-2:1417    94 ARG  HD3         6.00    (#   1417:20  Single Ambig)
 &rst
  ixpk= 1417, nxpk= 20, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 366, 367, 365, 976, 258, 974,
 &end
#
#    0 AMB  20-2:1418    94 ARG  HD3         6.00    (#   1418:20  Single Ambig)
 &rst
  ixpk= 1418, nxpk= 20, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 260, 261, 262,
 &end
#
#   83 ASN  HA            0 AMB  20-1:1419   6.00    (#   1419:20  Single Ambig)
 &rst
  ixpk= 1419, nxpk= 20, iat=1274,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1293,1341,
 &end
#
#    0 AMB  20-2:1420     0 AMB  20-1:1420   6.00    (#   1420:20  Double Ambig)
 &rst
  ixpk= 1420, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 715,1302,
 igr2= 720,1293,1341,
 &end
#
#    0 AMB  20-2:1421    48 PRO  HB2         6.00    (#   1421:20  Single Ambig)
 &rst
  ixpk= 1421, nxpk= 20, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 714, 715,
 &end
#
#    0 AMB  20-2:1422    84 PRO  HB2         6.00    (#   1422:20  Single Ambig)
 &rst
  ixpk= 1422, nxpk= 20, iat=  -1,1293, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1290,1291,
 &end
#
#    0 AMB  20-2:1423     0 AMB  20-1:1423   6.00    (#   1423:20  Double Ambig)
 &rst
  ixpk= 1423, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.05, r4=11.55,
 igr1=1181,1183, 479, 481,1182, 790, 476, 477, 789, 480,
       409, 408, 407,
 igr2=1344, 720,1341,
 &end
#
#    0 AMB  20-2:1424    90 PHE  HB2         6.00    (#   1424:20  Single Ambig)
 &rst
  ixpk= 1424, nxpk= 20, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 253, 184,1453, 136,
 &end
#
#   90 PHE  HA           90 PHE  HB2         6.00    (#   1425:20  Unique         2.32, 2.32 A)
 &rst
  ixpk= 1425, nxpk= 20, iat=1375,1377, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1427    90 PHE  HB2         6.00    (#   1427:20  Single Ambig)
 &rst
  ixpk= 1427, nxpk= 20, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1330,1331,1332, 145, 980, 143,
 &end
#
#    0 AMB  20-2:1428    90 PHE  HB2         6.00    (#   1428:20  Single Ambig)
 &rst
  ixpk= 1428, nxpk= 20, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 265, 266, 264,
 &end
#
#    0 AMB  20-2:1429    90 PHE  HB2         6.00    (#   1429:20  Single Ambig)
 &rst
  ixpk= 1429, nxpk= 20, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1231,1230,1229,
 &end
#
#    0 AMB  20-2:1430    90 PHE  HB2         6.00    (#   1430:20  Single Ambig)
 &rst
  ixpk= 1430, nxpk= 20, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1235,1233,1234,
 &end
#
#   90 PHE  HE1          94 ARG  HG2         6.00    (#   1431:20  Unique         2.34, 2.34 A)
 &rst
  ixpk= 1431, nxpk= 20, iat=1383,1458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 PHE  HD1          94 ARG  HG2         6.00    (#   1432:20  Unique         2.13, 2.13 A)
 &rst
  ixpk= 1432, nxpk= 20, iat=1381,1458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   94 ARG  HA           94 ARG  HG2         6.00    (#   1433:20  Unique         2.81, 2.81 A)
 &rst
  ixpk= 1433, nxpk= 20, iat=1453,1458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   94 ARG  HD2          94 ARG  HG2         6.00    (#   1434:20  Unique         2.43, 2.43 A)
 &rst
  ixpk= 1434, nxpk= 20, iat=1461,1458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1435    94 ARG  HG2         6.00    (#   1435:20  Single Ambig)
 &rst
  ixpk= 1435, nxpk= 20, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 506, 507, 258, 505, 503,
 &end
#
#    0 AMB  20-2:1436    94 ARG  HG2         6.00    (#   1436:20  Single Ambig)
 &rst
  ixpk= 1436, nxpk= 20, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 258, 366, 367, 976, 365,
 &end
#
#    0 AMB  20-2:1437    94 ARG  HG2         6.00    (#   1437:20  Single Ambig)
 &rst
  ixpk= 1437, nxpk= 20, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 260, 261, 500, 262, 498,
 &end
#
#    0 AMB  20-2:1440    19 ASN  HA          5.00    (#   1440:20 singleambig0620)
 &rst
  ixpk= 1440, nxpk= 20, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 297, 272,
 &end
#
#    0 AMB  20-2:1442     0 AMB  20-1:1442   5.00    (#   1442:20 DoublEAMBIG0620  )
 &rst
  ixpk= 1442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 236, 237, 356, 357,
 igr2= 301, 302, 303, 224, 225, 226,
 &end
#
#    0 AMB  20-2:1443     0 AMB  20-1:1443   6.00    (#   1443:20 DoublEAMBIG0620releasednostereoadded0620     )
 &rst
  ixpk= 1443, nxpk= 20, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 241, 242, 243, 245, 246, 247, 361, 362, 363, 365,
       366, 367, 974, 975, 976, 978, 979, 980,
 &end
#
#    0 AMB  20-2:1445     0 AMB  20-1:1445   6.00    (#   1445:20 DoublEAMBIG0620releasednostereoAdded0620)
 &rst
  ixpk= 1445, nxpk= 20, iat=  -1, 291, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 272, 297, 323,
 &end
#
#    0 AMB  20-2:1446    29 ASP  HB2         5.00    (#   1446:20 Single Ambig0919)
 &rst
  ixpk= 1446, nxpk= 20, iat=  -1, 424, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1529,1538,1385,1383,1387,
 &end
#


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