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
280899 2kdw cing 1-original 1 AMBER distance NOE ambi


#
#   95 GLN  HN            7 TYR  HD          4.50    (#      0:60  Unique         2.15, 4.48 A)
 &rst
  ixpk= 0, nxpk= 60, iat=1538,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2=  91, 100,
 &end
#
#    0 AMB  60-2:1        7 TYR  HD          5.50    (#      1:60  Single Ambig)
 &rst
  ixpk= 1, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1512,1218,
 igr2=  91, 100,
 &end
#
#    7 TYR  HN            7 TYR  HD          4.50    (#      2:60  Unique         3.16, 4.06 A)
 &rst
  ixpk= 2, nxpk= 60, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  91, 100,
 &end
#
#    7 TYR  HE            7 TYR  HD          2.80    (#      3:60  Unique         2.46, 3.69 A)
 &rst
  ixpk= 3, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  93,  98,
 igr2=  91, 100,
 &end
#
#   94 GLY  HA+           7 TYR  HD          5.50    (#      5:60  Unique         1.95, 4.73 A)
 &rst
  ixpk= 5, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1533,1534,
 igr2=  91, 100,
 &end
#
#    0 AMB  60-2:6        7 TYR  HD          3.50    (#      6:60  Single Ambig)
 &rst
  ixpk= 6, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  87,  88,  68,  69,
 igr2=  91, 100,
 &end
#
#    0 AMB  60-2:7        7 TYR  HD          5.50    (#      7:60  Single Ambig)
 &rst
  ixpk= 7, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  68,  69,  44,  45,
 igr2=  91, 100,
 &end
#
#    7 TYR  HB-           7 TYR  HD          4.50    (#      8:60  Unique         2.35, 3.08 A)
 &rst
  ixpk= 8, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  87,  88,
 igr2=  91, 100,
 &end
#
#    0 AMB  60-2:9        7 TYR  HD          5.50    (#      9:60  Single Ambig)
 &rst
  ixpk= 9, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1559,1560,1198,1199,
 igr2=  91, 100,
 &end
#
#    0 AMB  60-2:10       7 TYR  HD          5.50    (#     10:60  Single Ambig)
 &rst
  ixpk= 10, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1201,1202,1565,1566,
 igr2=  91, 100,
 &end
#
#    0 AMB  60-2:11       7 TYR  HD          4.50    (#     11:60  Single Ambig)
 &rst
  ixpk= 11, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1522,1523,1525,1526,1527,
 igr2=  91, 100,
 &end
#
#    0 AMB  60-2:12       7 TYR  HE          5.50    (#     12:60  Single Ambig)
 &rst
  ixpk= 12, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1218,1512,
 igr2=  93,  98,
 &end
#
#   95 GLN  HN            7 TYR  HE          5.50    (#     13:60  Unique         2.73, 5.02 A)
 &rst
  ixpk= 13, nxpk= 60, iat=1538,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  93,  98,
 &end
#
#    0 AMB  60-2:14       7 TYR  HE          5.50    (#     14:60  Single Ambig)
 &rst
  ixpk= 14, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1261,  83,
 igr2=  93,  98,
 &end
#
#    7 TYR  HD            7 TYR  HE          2.80    (#     15:60  Unique         2.46, 3.69 A)
 &rst
  ixpk= 15, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  91, 100,
 igr2=  93,  98,
 &end
#
#   78 LYS  HA            7 TYR  HE          5.50    (#     16:60  Unique         3.23, 5.78 A)
 &rst
  ixpk= 16, nxpk= 60, iat=1241,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  93,  98,
 &end
#
#   94 GLY  HA+           7 TYR  HE          5.50    (#     17:60  Unique         1.99, 4.72 A)
 &rst
  ixpk= 17, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1533,1534,
 igr2=  93,  98,
 &end
#
#   94 GLY  HA-           7 TYR  HE          5.50    (#     18:60  Unique         1.99, 4.72 A)
 &rst
  ixpk= 18, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1533,1534,
 igr2=  93,  98,
 &end
#
#    0 AMB  60-2:19       7 TYR  HE          4.50    (#     19:60  Single Ambig)
 &rst
  ixpk= 19, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  68,  69,1252,1253,1252,1253,
 igr2=  93,  98,
 &end
#
#   76 ARG  HD-           7 TYR  HE          5.50    (#     20:60  Unique         2.03, 5.36 A)
 &rst
  ixpk= 20, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1204,1205,
 igr2=  93,  98,
 &end
#
#    0 AMB  60-2:21       7 TYR  HE          5.50    (#     21:60  Single Ambig)
 &rst
  ixpk= 21, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1249,1250,1249,1250,
 igr2=  93,  98,
 &end
#
#    0 AMB  60-2:22       7 TYR  HE          4.50    (#     22:60  Single Ambig)
 &rst
  ixpk= 22, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1198,1199,1246,1247,
 igr2=  93,  98,
 &end
#
#    0 AMB  60-2:23       7 TYR  HE          4.50    (#     23:60  Single Ambig)
 &rst
  ixpk= 23, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1198,1199,1246,1247,
 igr2=  93,  98,
 &end
#
#    0 AMB  60-2:24       7 TYR  HE          4.50    (#     24:60  Single Ambig)
 &rst
  ixpk= 24, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1522,1523,1525,1526,1527,
 igr2=  93,  98,
 &end
#
#   24 TRP  HE1          24 TRP  HD1         4.50    (#     25:60  Unique         2.57, 2.57 A)
 &rst
  ixpk= 25, nxpk= 60, iat= 366, 364, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  131 TYR  HE           24 TRP  HD1         4.50    (#     27:60  Unique         2.16, 6.43 A)
 &rst
  ixpk= 27, nxpk= 60, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2144,2149,
 &end
#
#   24 TRP  HB+          24 TRP  HD1         5.50    (#     28:60  Unique         2.55, 3.02 A)
 &rst
  ixpk= 28, nxpk= 60, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 360, 361,
 &end
#
#   24 TRP  HB-          24 TRP  HD1         5.50    (#     29:60  Unique         2.55, 3.02 A)
 &rst
  ixpk= 29, nxpk= 60, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 360, 361,
 &end
#
#    0 AMB  60-2:30      24 TRP  HD1         5.50    (#     30:60  Single Ambig)
 &rst
  ixpk= 30, nxpk= 60, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2021,2022, 514, 515,
 &end
#
#  127 VAL  MGX          24 TRP  HD1         5.50    (#     31:60  Unique         2.31, 4.45 A)
 &rst
  ixpk= 31, nxpk= 60, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2068,2069,2070,2072,2073,2074,
 &end
#
#  127 VAL  MGY          24 TRP  HD1         4.50    (#     32:60  Unique         2.31, 4.45 A)
 &rst
  ixpk= 32, nxpk= 60, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2068,2069,2070,2072,2073,2074,
 &end
#
#   24 TRP  HE1         131 TYR  HE          4.50    (#     33:60  Unique         2.30, 5.75 A)
 &rst
  ixpk= 33, nxpk= 60, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2144,2149,
 &end
#
#  135 GLN  HE2-        131 TYR  HE          4.50    (#     34:60  Unique         2.24, 5.17 A)
 &rst
  ixpk= 34, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2221,2222,
 igr2=2144,2149,
 &end
#
#  135 GLN  HE2+        131 TYR  HE          5.50    (#     35:60  Unique         2.24, 5.17 A)
 &rst
  ixpk= 35, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2221,2222,
 igr2=2144,2149,
 &end
#
#    0 AMB  60-2:36     131 TYR  HE          2.80    (#     36:60  Single Ambig)
 &rst
  ixpk= 36, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 364,2142,2151,
 igr2=2144,2149,
 &end
#
#    0 AMB  60-2:37     131 TYR  HE          5.50    (#     37:60  Single Ambig)
 &rst
  ixpk= 37, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=2138,2139,2024,2025,
 igr2=2144,2149,
 &end
#
#  127 VAL  HB          131 TYR  HE          5.50    (#     38:60  Unique         3.25, 5.06 A)
 &rst
  ixpk= 38, nxpk= 60, iat=2066,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2144,2149,
 &end
#
#  135 GLN  HG+         131 TYR  HE          5.50    (#     39:60  Unique         1.95, 4.52 A)
 &rst
  ixpk= 39, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2216,2217,
 igr2=2144,2149,
 &end
#
#  135 GLN  HG-         131 TYR  HE          5.50    (#     40:60  Unique         1.95, 4.52 A)
 &rst
  ixpk= 40, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2216,2217,
 igr2=2144,2149,
 &end
#
#  127 VAL  MGX         131 TYR  HE          4.50    (#     41:60  Unique         2.01, 5.65 A)
 &rst
  ixpk= 41, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2068,2069,2070,2072,2073,2074,
 igr2=2144,2149,
 &end
#
#  127 VAL  MGY         131 TYR  HE          4.50    (#     42:60  Unique         2.01, 5.65 A)
 &rst
  ixpk= 42, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2068,2069,2070,2072,2073,2074,
 igr2=2144,2149,
 &end
#
#   28 PHE  HE           28 PHE  HD          2.80    (#     44:60  Unique         2.46, 3.69 A)
 &rst
  ixpk= 44, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 448, 452,
 igr2= 446, 454,
 &end
#
#  122 ASP  HA           28 PHE  HD          5.50    (#     45:60  Unique         3.77, 6.22 A)
 &rst
  ixpk= 45, nxpk= 60, iat=1973,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 446, 454,
 &end
#
#    0 AMB  60-2:46       0 AMB  60-1:46     5.50    (#     46:60  Double Ambig)
 &rst
  ixpk= 46, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 440, 861,
 igr2= 446, 454, 847, 855,
 &end
#
#    0 AMB  60-2:47      28 PHE  HD          5.50    (#     47:60  Single Ambig)
 &rst
  ixpk= 47, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 442, 443,1923,1924,
 igr2= 446, 454,
 &end
#
#   28 PHE  HB-          28 PHE  HD          4.50    (#     48:60  Unique         2.29, 3.04 A)
 &rst
  ixpk= 48, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 442, 443,
 igr2= 446, 454,
 &end
#
#    0 AMB  60-2:49      31 HIS  HD2         4.50    (#     49:60  Single Ambig)
 &rst
  ixpk= 49, nxpk= 60, iat=  -1, 495, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 482, 458,
 &end
#
#   30 GLN  HN           31 HIS  HD2         5.50    (#     50:60  Unique         2.74, 4.04 A)
 &rst
  ixpk= 50, nxpk= 60, iat= 465, 495, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 HIS  HA           31 HIS  HD2         4.50    (#     51:60  Unique         2.40, 2.82 A)
 &rst
  ixpk= 51, nxpk= 60, iat= 484, 495, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 HIS  HB+          31 HIS  HD2         5.50    (#     54:60  Unique         2.98, 3.61 A)
 &rst
  ixpk= 54, nxpk= 60, iat=  -1, 495, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 486, 487,
 &end
#
#    0 AMB  60-2:55      31 HIS  HD2         5.50    (#     55:60  Single Ambig)
 &rst
  ixpk= 55, nxpk= 60, iat=  -1, 495, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 460, 461, 486, 487,
 &end
#
#    0 AMB  60-2:56      31 HIS  HD2         5.50    (#     56:60  Single Ambig)
 &rst
  ixpk= 56, nxpk= 60, iat=  -1, 495, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 472, 473, 472, 473,
 &end
#
#   33 TRP  HE1          33 TRP  HD1         3.50    (#     58:60  Unique         2.57, 2.57 A)
 &rst
  ixpk= 58, nxpk= 60, iat= 520, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 TRP  HN           33 TRP  HD1         5.50    (#     59:60  Unique         1.93, 2.58 A)
 &rst
  ixpk= 59, nxpk= 60, iat= 510, 518, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 TRP  HB+          33 TRP  HD1         5.50    (#     62:60  Unique         2.56, 3.28 A)
 &rst
  ixpk= 62, nxpk= 60, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 514, 515,
 &end
#
#   33 TRP  HB-          33 TRP  HD1         5.50    (#     63:60  Unique         2.56, 3.28 A)
 &rst
  ixpk= 63, nxpk= 60, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 514, 515,
 &end
#
#   33 TRP  HE1          33 TRP  HZ2         4.50    (#     64:60  Unique         2.82, 2.82 A)
 &rst
  ixpk= 64, nxpk= 60, iat= 520, 523, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 TRP  HH2          33 TRP  HZ2         3.50    (#     65:60  Unique         2.46, 2.46 A)
 &rst
  ixpk= 65, nxpk= 60, iat= 525, 523, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 ARG  HG-          33 TRP  HZ2         5.50    (#     70:60  Unique         4.24, 5.69 A)
 &rst
  ixpk= 70, nxpk= 60, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 397, 398,
 &end
#
#   33 TRP  HZ2          33 TRP  HH2         4.50    (#     71:60  Unique         2.46, 2.46 A)
 &rst
  ixpk= 71, nxpk= 60, iat= 523, 525, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  125 ARG  HD-          33 TRP  HH2         5.50    (#     72:60  Unique         2.12, 5.17 A)
 &rst
  ixpk= 72, nxpk= 60, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2024,2025,
 &end
#
#   25 ALA  HA           33 TRP  HH2         5.50    (#     73:60  Unique         3.77, 4.35 A)
 &rst
  ixpk= 73, nxpk= 60, iat= 382, 525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 PHE  HE           55 PHE  HD          2.80    (#     74:60  Unique         2.46, 3.69 A)
 &rst
  ixpk= 74, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 849, 853,
 igr2= 847, 855,
 &end
#
#    0 AMB  60-2:75       0 AMB  60-1:75     4.50    (#     75:60  Double Ambig)
 &rst
  ixpk= 75, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 841,1910,
 igr2= 847, 855, 446, 454,
 &end
#
#   55 PHE  HB+          55 PHE  HD          4.50    (#     76:60  Unique         2.29, 3.04 A)
 &rst
  ixpk= 76, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 843, 844,
 igr2= 847, 855,
 &end
#
#    0 AMB  60-2:77       0 AMB  60-1:77     4.50    (#     77:60  Double Ambig)
 &rst
  ixpk= 77, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 843, 844,1975,1976,
 igr2= 847, 855, 446, 454,
 &end
#
#   56 GLU  HG+          55 PHE  HD          4.50    (#     78:60  Unique         1.98, 4.84 A)
 &rst
  ixpk= 78, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 866, 867,
 igr2= 847, 855,
 &end
#
#   56 GLU  HG-          55 PHE  HD          5.50    (#     79:60  Unique         1.98, 4.84 A)
 &rst
  ixpk= 79, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 866, 867,
 igr2= 847, 855,
 &end
#
#  115 THR  MG2          55 PHE  HD          5.50    (#     80:60  Unique         3.06, 6.49 A)
 &rst
  ixpk= 80, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1878,1879,1880,
 igr2= 847, 855,
 &end
#
#   28 PHE  HD           28 PHE  HE          2.80    (#     81:60  Unique         2.46, 3.69 A)
 &rst
  ixpk= 81, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 446, 454,
 igr2= 448, 452,
 &end
#
#  119 PRO  HD-          28 PHE  HE          5.50    (#     83:60  Unique         1.96, 5.69 A)
 &rst
  ixpk= 83, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1923,1924,
 igr2= 448, 452,
 &end
#
#    0 AMB  60-2:84      28 PHE  HE          5.50    (#     84:60  Single Ambig)
 &rst
  ixpk= 84, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1859,1860,1862,1863,1862,1863,
 igr2= 448, 452,
 &end
#
#   55 PHE  HD           55 PHE  HE          2.80    (#     85:60  Unique         2.46, 3.69 A)
 &rst
  ixpk= 85, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 847, 855,
 igr2= 849, 853,
 &end
#
#  115 THR  HB           55 PHE  HE          5.50    (#     86:60  Unique         2.23, 8.73 A)
 &rst
  ixpk= 86, nxpk= 60, iat=1876,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 849, 853,
 &end
#
#   56 GLU  HG-          55 PHE  HE          5.50    (#     87:60  Unique         2.11, 5.47 A)
 &rst
  ixpk= 87, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 866, 867,
 igr2= 849, 853,
 &end
#
#   51 TYR  HN           51 TYR  HD          4.50    (#     88:60  Unique         1.84, 3.30 A)
 &rst
  ixpk= 88, nxpk= 60, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 773, 782,
 &end
#
#   51 TYR  HE           51 TYR  HD          3.50    (#     89:60  Unique         2.46, 3.69 A)
 &rst
  ixpk= 89, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 775, 780,
 igr2= 773, 782,
 &end
#
#    0 AMB  60-2:90       0 AMB  60-1:90     4.50    (#     90:60  Double Ambig)
 &rst
  ixpk= 90, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 767,2291,
 igr2= 773, 782,1226,1235,
 &end
#
#   51 TYR  HB+          51 TYR  HD          4.50    (#     91:60  Unique         2.30, 3.05 A)
 &rst
  ixpk= 91, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 769, 770,
 igr2= 773, 782,
 &end
#
#    0 AMB  60-2:92      51 TYR  HD          4.50    (#     92:60  Single Ambig)
 &rst
  ixpk= 92, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 769, 770, 952, 953, 952, 953,
 igr2= 773, 782,
 &end
#
#   54 LEU  MDX          51 TYR  HD          5.50    (#     93:60  Unique         1.98, 5.94 A)
 &rst
  ixpk= 93, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 829, 830, 831, 833, 834, 835,
 igr2= 773, 782,
 &end
#
#    0 AMB  60-2:94       0 AMB  60-1:94     5.50    (#     94:60  Double Ambig)
 &rst
  ixpk= 94, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.63, r4=11.13,
 igr1= 759, 760, 761,2296,2297,2296,2297, 921, 922, 923,
       925, 926, 927,
 igr2= 773, 782,1226,1235,
 &end
#
#   62 ARG  HN           51 TYR  HE          5.50    (#     96:60  Unique         3.84, 5.33 A)
 &rst
  ixpk= 96, nxpk= 60, iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 775, 780,
 &end
#
#   51 TYR  HN           51 TYR  HE          5.50    (#     97:60  Unique         3.91, 4.93 A)
 &rst
  ixpk= 97, nxpk= 60, iat= 765,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 775, 780,
 &end
#
#   51 TYR  HD           51 TYR  HE          2.80    (#     98:60  Unique         2.46, 3.69 A)
 &rst
  ixpk= 98, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 773, 782,
 igr2= 775, 780,
 &end
#
#    0 AMB  60-2:100     51 TYR  HE          4.50    (#    100:60  Single Ambig)
 &rst
  ixpk= 100, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 767,1042, 740,
 igr2= 775, 780,
 &end
#
#   62 ARG  HA           51 TYR  HE          4.50    (#    101:60  Unique         2.16, 3.97 A)
 &rst
  ixpk= 101, nxpk= 60, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 775, 780,
 &end
#
#   51 TYR  HB+          51 TYR  HE          5.50    (#    102:60  Unique         4.61, 5.05 A)
 &rst
  ixpk= 102, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 769, 770,
 igr2= 775, 780,
 &end
#
#    0 AMB  60-2:103     51 TYR  HE          5.50    (#    103:60  Single Ambig)
 &rst
  ixpk= 103, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 952, 953, 952, 953,
 igr2= 775, 780,
 &end
#
#   47 GLU  HG+          51 TYR  HE          4.50    (#    104:60  Unique         1.98, 4.67 A)
 &rst
  ixpk= 104, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 713, 714,
 igr2= 775, 780,
 &end
#
#   62 ARG  HB+          51 TYR  HE          5.50    (#    105:60  Unique         2.88, 3.98 A)
 &rst
  ixpk= 105, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 946, 947,
 igr2= 775, 780,
 &end
#
#   62 ARG  HG+          51 TYR  HE          5.50    (#    106:60  Unique         3.95, 5.73 A)
 &rst
  ixpk= 106, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 949, 950,
 igr2= 775, 780,
 &end
#
#   54 LEU  MDX          51 TYR  HE          3.50    (#    107:60  Unique         3.40, 7.19 A)
 &rst
  ixpk= 107, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 829, 830, 831, 833, 834, 835,
 igr2= 775, 780,
 &end
#
#   65 VAL  MGX          51 TYR  HE          3.50    (#    108:60  Unique         1.94, 5.73 A)
 &rst
  ixpk= 108, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1006,1007,1008,1010,1011,1012,
 igr2= 775, 780,
 &end
#
#   50 MET  ME           51 TYR  HE          4.50    (#    109:60  Unique         2.50, 4.48 A)
 &rst
  ixpk= 109, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 759, 760, 761,
 igr2= 775, 780,
 &end
#
#   61 SER  HA           55 PHE  HD          5.50    (#    110:60  Unique         2.14, 5.24 A)
 &rst
  ixpk= 110, nxpk= 60, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 847, 855,
 &end
#
#   74 TRP  HE1          74 TRP  HD1         2.80    (#    111:60  Unique         2.57, 2.57 A)
 &rst
  ixpk= 111, nxpk= 60, iat=1161,1159, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   74 TRP  HN           74 TRP  HD1         4.50    (#    112:60  Unique         1.97, 2.52 A)
 &rst
  ixpk= 112, nxpk= 60, iat=1151,1159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 ASN  HA           74 TRP  HD1         5.50    (#    113:60  Unique         2.38, 3.86 A)
 &rst
  ixpk= 113, nxpk= 60, iat=1139,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  60-2:114     74 TRP  HD1         5.50    (#    114:60  Single Ambig)
 &rst
  ixpk= 114, nxpk= 60, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1153,1103,
 &end
#
#   74 TRP  HB-          74 TRP  HD1         5.50    (#    115:60  Unique         2.61, 3.26 A)
 &rst
  ixpk= 115, nxpk= 60, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1155,1156,
 &end
#
#    0 AMB  60-2:116     74 TRP  HD1         4.50    (#    116:60  Single Ambig)
 &rst
  ixpk= 116, nxpk= 60, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1141,1142,1155,1156,
 &end
#
#  130 TRP  HH2         130 TRP  HZ2         2.80    (#    118:60  Unique         2.46, 2.46 A)
 &rst
  ixpk= 118, nxpk= 60, iat=2125,2123, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  60-2:119    130 TRP  HZ2         5.50    (#    119:60  Single Ambig)
 &rst
  ixpk= 119, nxpk= 60, iat=  -1,2123, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2097,2106,2099,2104,
 &end
#
#  108 ASP  HA          126 TRP  HZ2         5.50    (#    120:60  Unique         1.99, 2.87 A)
 &rst
  ixpk= 120, nxpk= 60, iat=1770,2051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  111 ILE  QD1         126 TRP  HZ2         5.50    (#    121:60  Unique         1.98, 3.19 A)
 &rst
  ixpk= 121, nxpk= 60, iat=  -1,2051, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1818,1819,1820,
 &end
#
#  104 LEU  MDY         126 TRP  HZ2         3.50    (#    122:60  Unique         2.19, 4.91 A)
 &rst
  ixpk= 122, nxpk= 60, iat=  -1,2051, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1724,1725,1726,1728,1729,1730,
 &end
#
#  152 ALA  MB          130 TRP  HZ2         4.50    (#    123:60  Unique         1.98, 3.05 A)
 &rst
  ixpk= 123, nxpk= 60, iat=  -1,2123, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2526,2527,2528,
 &end
#
#    0 AMB  60-2:124      0 AMB  60-1:124    5.50    (#    124:60  Double Ambig)
 &rst
  ixpk= 124, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1722,2472,2473,
 igr2=2051,2123,
 &end
#
#   40 ILE  QD1          74 TRP  HH2         3.50    (#    126:60  Unique         2.00, 3.04 A)
 &rst
  ixpk= 126, nxpk= 60, iat=  -1,1166, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 629, 630, 631,
 &end
#
#   40 ILE  HG1-         74 TRP  HH2         5.50    (#    127:60  Unique         2.84, 3.97 A)
 &rst
  ixpk= 127, nxpk= 60, iat=  -1,1166, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 626, 627,
 &end
#
#    0 AMB  60-2:128     74 TRP  HH2         5.50    (#    128:60  Single Ambig)
 &rst
  ixpk= 128, nxpk= 60, iat=  -1,1166, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 755, 756, 752, 753,
 &end
#
#   96 LYS  HE-          74 TRP  HH2         4.50    (#    129:60  Unique         3.39, 4.77 A)
 &rst
  ixpk= 129, nxpk= 60, iat=  -1,1166, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1568,1569,
 &end
#
#    0 AMB  60-2:130     74 TRP  HH2         5.50    (#    130:60  Single Ambig)
 &rst
  ixpk= 130, nxpk= 60, iat=  -1,1166, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 160, 135, 136, 710, 711,
 &end
#
#   96 LYS  HE+          74 TRP  HH2         5.50    (#    131:60  Unique         3.39, 4.77 A)
 &rst
  ixpk= 131, nxpk= 60, iat=  -1,1166, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1568,1569,
 &end
#
#   74 TRP  HZ2          74 TRP  HH2         2.80    (#    133:60  Unique         2.46, 2.46 A)
 &rst
  ixpk= 133, nxpk= 60, iat=1164,1166, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   78 LYS  HN           77 TYR  HD          4.50    (#    134:60  Unique         3.09, 4.33 A)
 &rst
  ixpk= 134, nxpk= 60, iat=1239,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1226,1235,
 &end
#
#   77 TYR  HN           77 TYR  HD          4.50    (#    135:60  Unique         2.42, 3.79 A)
 &rst
  ixpk= 135, nxpk= 60, iat=1218,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1226,1235,
 &end
#
#  139 PHE  HE           77 TYR  HD          4.50    (#    137:60  Unique         1.96, 5.73 A)
 &rst
  ixpk= 137, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2279,2283,
 igr2=1226,1235,
 &end
#
#    0 AMB  60-2:138     77 TYR  HD          4.50    (#    138:60  Single Ambig)
 &rst
  ixpk= 138, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=2277,2285,1589,1590,
 igr2=1226,1235,
 &end
#
#    0 AMB  60-2:139      0 AMB  60-1:139    2.80    (#    139:60  Double Ambig)
 &rst
  ixpk= 139, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1228,1233, 955,
 igr2=1226,1235, 773, 782,
 &end
#
#   77 TYR  HA           77 TYR  HD          4.50    (#    140:60  Unique         3.81, 4.17 A)
 &rst
  ixpk= 140, nxpk= 60, iat=1220,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1226,1235,
 &end
#
#   77 TYR  HB+          77 TYR  HD          3.50    (#    141:60  Unique         2.30, 3.05 A)
 &rst
  ixpk= 141, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1222,1223,
 igr2=1226,1235,
 &end
#
#   77 TYR  HB-          77 TYR  HD          3.50    (#    142:60  Unique         2.30, 3.05 A)
 &rst
  ixpk= 142, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1222,1223,
 igr2=1226,1235,
 &end
#
#    0 AMB  60-2:143      0 AMB  60-1:143    4.50    (#    143:60  Double Ambig)
 &rst
  ixpk= 143, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2351, 713, 714,
 igr2=1226,1235, 773, 782,
 &end
#
#    0 AMB  60-2:144      0 AMB  60-1:144    5.50    (#    144:60  Double Ambig)
 &rst
  ixpk= 144, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 824, 825,1542,1543,1004,
 igr2= 773, 782,1226,1235,
 &end
#
#    0 AMB  60-2:145      0 AMB  60-1:145    5.50    (#    145:60  Double Ambig)
 &rst
  ixpk= 145, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1=1179,1180,1243,1244, 790, 791,1249,1250,
 igr2=1226,1235, 773, 782,
 &end
#
#    0 AMB  60-2:146      0 AMB  60-1:146    5.50    (#    146:60  Double Ambig)
 &rst
  ixpk= 146, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 946, 947,1201,1202,
 igr2= 773, 782,1226,1235,
 &end
#
#    0 AMB  60-2:147      0 AMB  60-1:147    5.50    (#    147:60  Double Ambig)
 &rst
  ixpk= 147, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 824, 825,1542,1543,
 igr2= 773, 782,1226,1235,
 &end
#
#    0 AMB  60-2:148     77 TYR  HD          3.50    (#    148:60  Single Ambig)
 &rst
  ixpk= 148, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
      2358,2359,
 igr2=1226,1235,
 &end
#
#    0 AMB  60-2:149      0 AMB  60-1:149    4.50    (#    149:60  Double Ambig)
 &rst
  ixpk= 149, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1=1270,1271,1272,1274,1275,1276,1006,1007,1008,1010,
      1011,1012,1006,1007,1008,1010,1011,1012,
 igr2=1226,1235, 773, 782,
 &end
#
#  139 PHE  HE           77 TYR  HE          4.50    (#    150:60  Unique         2.05, 5.52 A)
 &rst
  ixpk= 150, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2279,2283,
 igr2=1228,1233,
 &end
#
#    0 AMB  60-2:151     77 TYR  HE          4.50    (#    151:60  Single Ambig)
 &rst
  ixpk= 151, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1589,1590,2277,2285,
 igr2=1228,1233,
 &end
#
#   77 TYR  HD           77 TYR  HE          2.80    (#    152:60  Unique         2.46, 3.69 A)
 &rst
  ixpk= 152, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1226,1235,
 igr2=1228,1233,
 &end
#
#   97 GLN  HE2-         77 TYR  HE          5.50    (#    153:60  Unique         1.91, 4.87 A)
 &rst
  ixpk= 153, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1589,1590,
 igr2=1228,1233,
 &end
#
#    0 AMB  60-2:154     77 TYR  HE          5.50    (#    154:60  Single Ambig)
 &rst
  ixpk= 154, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2418,2419,2418,2419,2367,2368,
 igr2=1228,1233,
 &end
#
#   80 PRO  HD-          77 TYR  HE          5.50    (#    156:60  Unique         3.73, 7.31 A)
 &rst
  ixpk= 156, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1281,1282,
 igr2=1228,1233,
 &end
#
#    0 AMB  60-2:157     77 TYR  HE          5.50    (#    157:60  Single Ambig)
 &rst
  ixpk= 157, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2351,1545,1546,
 igr2=1228,1233,
 &end
#
#    0 AMB  60-2:158     77 TYR  HE          5.50    (#    158:60  Single Ambig)
 &rst
  ixpk= 158, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1542,1543,1179,1180,
 igr2=1228,1233,
 &end
#
#    0 AMB  60-2:159     77 TYR  HE          5.50    (#    159:60  Single Ambig)
 &rst
  ixpk= 159, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=2299,2300,1542,1543,
 igr2=1228,1233,
 &end
#
#    0 AMB  60-2:160     77 TYR  HE          5.50    (#    160:60  Single Ambig)
 &rst
  ixpk= 160, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2299,2300,1268,
 igr2=1228,1233,
 &end
#
#    0 AMB  60-2:161     77 TYR  HE          4.50    (#    161:60  Single Ambig)
 &rst
  ixpk= 161, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
      2358,2359,1265,1266,
 igr2=1228,1233,
 &end
#
#   79 LEU  MDY          77 TYR  HE          4.50    (#    162:60  Unique         1.97, 5.75 A)
 &rst
  ixpk= 162, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1270,1271,1272,1274,1275,1276,
 igr2=1228,1233,
 &end
#
#   84 VAL  MGX          86 TRP  HD1         4.50    (#    163:60  Unique         2.46, 4.83 A)
 &rst
  ixpk= 163, nxpk= 60, iat=  -1,1407, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1365,1366,1367,1369,1370,1371,
 &end
#
#   91 VAL  MGX          86 TRP  HD1         5.50    (#    164:60  Unique         4.08, 6.49 A)
 &rst
  ixpk= 164, nxpk= 60, iat=  -1,1407, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1491,1492,1493,1495,1496,1497,
 &end
#
#   84 VAL  HB           86 TRP  HD1         5.50    (#    166:60  Unique         2.56, 3.22 A)
 &rst
  ixpk= 166, nxpk= 60, iat=1363,1407, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  60-2:167     86 TRP  HD1         3.50    (#    167:60  Single Ambig)
 &rst
  ixpk= 167, nxpk= 60, iat=  -1,1407, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1403,1404,1307,1308,1307,1308,
 &end
#
#   86 TRP  HB+          86 TRP  HD1         4.50    (#    168:60  Unique         2.57, 3.29 A)
 &rst
  ixpk= 168, nxpk= 60, iat=  -1,1407, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1403,1404,
 &end
#
#    0 AMB  60-2:169     86 TRP  HD1         5.50    (#    169:60  Single Ambig)
 &rst
  ixpk= 169, nxpk= 60, iat=  -1,1407, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1401,1318,
 &end
#
#   85 ARG  HA           86 TRP  HD1         5.50    (#    170:60  Unique         2.83, 3.33 A)
 &rst
  ixpk= 170, nxpk= 60, iat=1377,1407, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   86 TRP  HN           86 TRP  HD1         3.50    (#    171:60  Unique         2.10, 3.16 A)
 &rst
  ixpk= 171, nxpk= 60, iat=1399,1407, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   85 ARG  HN           86 TRP  HD1         5.50    (#    172:60  Unique         3.45, 4.13 A)
 &rst
  ixpk= 172, nxpk= 60, iat=1375,1407, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87 ASP  HN           86 TRP  HD1         5.50    (#    173:60  Unique         4.98, 5.32 A)
 &rst
  ixpk= 173, nxpk= 60, iat=1423,1407, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   86 TRP  HE1          86 TRP  HD1         2.80    (#    174:60  Unique         2.57, 2.57 A)
 &rst
  ixpk= 174, nxpk= 60, iat=1409,1407, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   86 TRP  HE3          86 TRP  HZ3         3.50    (#    197:60  Unique         2.46, 2.46 A)
 &rst
  ixpk= 197, nxpk= 60, iat=1418,1416, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  60-2:199     86 TRP  HZ3         5.50    (#    199:60  Single Ambig)
 &rst
  ixpk= 199, nxpk= 60, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1307,1308,1307,1308,
 &end
#
#   91 VAL  MGX          86 TRP  HZ3         5.50    (#    200:60  Unique         1.98, 4.15 A)
 &rst
  ixpk= 200, nxpk= 60, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1491,1492,1493,1495,1496,1497,
 &end
#
#   91 VAL  MGX          86 TRP  HE3         5.50    (#    202:60  Unique         1.99, 3.63 A)
 &rst
  ixpk= 202, nxpk= 60, iat=  -1,1418, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1491,1492,1493,1495,1496,1497,
 &end
#
#   91 VAL  MGY          86 TRP  HE3         5.50    (#    203:60  Unique         1.99, 3.63 A)
 &rst
  ixpk= 203, nxpk= 60, iat=  -1,1418, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1491,1492,1493,1495,1496,1497,
 &end
#
#   86 TRP  HB-          86 TRP  HE3         5.50    (#    204:60  Unique         2.42, 3.28 A)
 &rst
  ixpk= 204, nxpk= 60, iat=  -1,1418, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1403,1404,
 &end
#
#   86 TRP  HB+          86 TRP  HE3         5.50    (#    205:60  Unique         2.42, 3.28 A)
 &rst
  ixpk= 205, nxpk= 60, iat=  -1,1418, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1403,1404,
 &end
#
#   86 TRP  HA           86 TRP  HE3         5.50    (#    206:60  Unique         2.59, 3.38 A)
 &rst
  ixpk= 206, nxpk= 60, iat=1401,1418, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   86 TRP  HZ3          86 TRP  HE3         4.50    (#    207:60  Unique         2.46, 2.46 A)
 &rst
  ixpk= 207, nxpk= 60, iat=1416,1418, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   99 TRP  HE1          99 TRP  HD1         4.50    (#    208:60  Unique         2.57, 2.57 A)
 &rst
  ixpk= 208, nxpk= 60, iat=1626,1624, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   99 TRP  HN           99 TRP  HD1         5.50    (#    210:60  Unique         1.93, 2.17 A)
 &rst
  ixpk= 210, nxpk= 60, iat=1616,1624, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98 LYS  HA           99 TRP  HD1         5.50    (#    211:60  Unique         2.77, 3.42 A)
 &rst
  ixpk= 211, nxpk= 60, iat=1596,1624, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   97 GLN  HB-          99 TRP  HD1         4.50    (#    213:60  Unique         2.58, 5.21 A)
 &rst
  ixpk= 213, nxpk= 60, iat=  -1,1624, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1581,1582,
 &end
#
#   75 LEU  MDX          99 TRP  HD1         4.50    (#    214:60  Unique         1.99, 4.97 A)
 &rst
  ixpk= 214, nxpk= 60, iat=  -1,1624, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1184,1185,1186,1188,1189,1190,
 &end
#
#   71 THR  MG2          99 TRP  HD1         5.50    (#    215:60  Unique         2.08, 4.37 A)
 &rst
  ixpk= 215, nxpk= 60, iat=  -1,1624, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1105,1106,1107,
 &end
#
#  147 VAL  MGY          99 TRP  HD1         5.50    (#    216:60  Unique         3.06, 5.49 A)
 &rst
  ixpk= 216, nxpk= 60, iat=  -1,1624, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2438,2439,2440,2442,2443,2444,
 &end
#
#  100 PHE  HN           99 TRP  HE3         5.50    (#    217:60  Unique         4.41, 4.83 A)
 &rst
  ixpk= 217, nxpk= 60, iat=1640,1635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  144 TYR  HD           99 TRP  HE3         5.50    (#    218:60  Unique         4.98, 6.29 A)
 &rst
  ixpk= 218, nxpk= 60, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2371,2380,
 &end
#
#   99 TRP  HB+          99 TRP  HE3         5.50    (#    219:60  Unique         2.40, 3.21 A)
 &rst
  ixpk= 219, nxpk= 60, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1620,1621,
 &end
#
#   99 TRP  HB-          99 TRP  HE3         5.50    (#    220:60  Unique         2.40, 3.21 A)
 &rst
  ixpk= 220, nxpk= 60, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1620,1621,
 &end
#
#   14 VAL  MGX          99 TRP  HE3         4.50    (#    221:60  Unique         1.97, 3.60 A)
 &rst
  ixpk= 221, nxpk= 60, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 204, 205, 206, 208, 209, 210,
 &end
#
#  147 VAL  MGX          99 TRP  HE3         5.50    (#    222:60  Unique         1.99, 3.52 A)
 &rst
  ixpk= 222, nxpk= 60, iat=  -1,1635, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2438,2439,2440,2442,2443,2444,
 &end
#
#  126 TRP  HE1         126 TRP  HD1         2.80    (#    223:60  Unique         2.57, 2.57 A)
 &rst
  ixpk= 223, nxpk= 60, iat=2048,2046, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  126 TRP  HN          126 TRP  HD1         4.50    (#    224:60  Unique         2.34, 3.58 A)
 &rst
  ixpk= 224, nxpk= 60, iat=2038,2046, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  60-2:228    126 TRP  HD1         3.50    (#    228:60  Single Ambig)
 &rst
  ixpk= 228, nxpk= 60, iat=  -1,2046, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2042,2043,2042,2043, 248, 249,
 &end
#
#  126 TRP  HE1         126 TRP  HZ2         4.50    (#    230:60  Unique         2.82, 2.82 A)
 &rst
  ixpk= 230, nxpk= 60, iat=2048,2051, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  108 ASP  HN          126 TRP  HZ2         5.50    (#    231:60  Unique         3.00, 3.44 A)
 &rst
  ixpk= 231, nxpk= 60, iat=1768,2051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 ASN  HD2+        126 TRP  HZ2         5.50    (#    232:60  Unique         3.06, 4.58 A)
 &rst
  ixpk= 232, nxpk= 60, iat=  -1,2051, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 253, 254,
 &end
#
#  126 TRP  HD1         126 TRP  HZ2         5.50    (#    233:60  Unique         5.04, 5.04 A)
 &rst
  ixpk= 233, nxpk= 60, iat=2046,2051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  60-2:234    126 TRP  HZ2         5.50    (#    234:60  Single Ambig)
 &rst
  ixpk= 234, nxpk= 60, iat=  -1,2051, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1772,1773,1772,1773,
 &end
#
#   15 ILE  QG2         126 TRP  HZ2         5.50    (#    235:60  Unique         4.74, 6.35 A)
 &rst
  ixpk= 235, nxpk= 60, iat=  -1,2051, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 220, 221, 222,
 &end
#
#  111 ILE  QD1         126 TRP  HZ2         5.50    (#    236:60  Unique         1.98, 3.19 A)
 &rst
  ixpk= 236, nxpk= 60, iat=  -1,2051, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1818,1819,1820,
 &end
#
#  126 TRP  HE1         126 TRP  HH2         5.50    (#    237:60  Unique         4.96, 4.97 A)
 &rst
  ixpk= 237, nxpk= 60, iat=2048,2053, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  60-2:240    126 TRP  HH2         5.50    (#    240:60  Single Ambig)
 &rst
  ixpk= 240, nxpk= 60, iat=  -1,2053, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1772,1773,1772,1773,
 &end
#
#  111 ILE  QD1         126 TRP  HH2         5.50    (#    242:60  Unique         1.99, 2.88 A)
 &rst
  ixpk= 242, nxpk= 60, iat=  -1,2053, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1818,1819,1820,
 &end
#
#  111 ILE  QG2         126 TRP  HH2         5.50    (#    243:60  Unique         1.98, 4.25 A)
 &rst
  ixpk= 243, nxpk= 60, iat=  -1,2053, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1811,1812,1813,
 &end
#
#    0 AMB  60-2:244    129 TYR  HD          5.50    (#    244:60  Single Ambig)
 &rst
  ixpk= 244, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2089,2575,
 igr2=2097,2106,
 &end
#
#  130 TRP  HN          129 TYR  HD          5.50    (#    245:60  Unique         1.76, 4.62 A)
 &rst
  ixpk= 245, nxpk= 60, iat=2110,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2097,2106,
 &end
#
#  129 TYR  HA          129 TYR  HD          5.50    (#    246:60  Unique         1.85, 3.28 A)
 &rst
  ixpk= 246, nxpk= 60, iat=2091,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2097,2106,
 &end
#
#  129 TYR  HB+         129 TYR  HD          5.50    (#    247:60  Unique         2.30, 3.06 A)
 &rst
  ixpk= 247, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2093,2094,
 igr2=2097,2106,
 &end
#
#    0 AMB  60-2:248    129 TYR  HD          5.50    (#    248:60  Single Ambig)
 &rst
  ixpk= 248, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2093,2094,2455,2456,2582,2583,
 igr2=2097,2106,
 &end
#
#  152 ALA  MB          129 TYR  HD          5.50    (#    249:60  Unique         2.24, 5.82 A)
 &rst
  ixpk= 249, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2526,2527,2528,
 igr2=2097,2106,
 &end
#
#  148 MET  ME          129 TYR  HD          5.50    (#    250:60  Unique         2.04, 5.53 A)
 &rst
  ixpk= 250, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2459,2460,2461,
 igr2=2097,2106,
 &end
#
#  155 VAL  MGY         129 TYR  HD          5.50    (#    251:60  Unique         2.16, 5.95 A)
 &rst
  ixpk= 251, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2565,2566,2567,2569,2570,2571,
 igr2=2097,2106,
 &end
#
#   22 VAL  MGY         129 TYR  HD          4.50    (#    252:60  Unique         1.98, 6.04 A)
 &rst
  ixpk= 252, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 329, 330, 331, 333, 334, 335,
 igr2=2097,2106,
 &end
#
#  130 TRP  HN          130 TRP  HD1         4.50    (#    254:60  Unique         2.37, 3.60 A)
 &rst
  ixpk= 254, nxpk= 60, iat=2110,2118, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  129 TYR  HD          130 TRP  HD1         5.50    (#    255:60  Unique         3.59, 5.84 A)
 &rst
  ixpk= 255, nxpk= 60, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2097,2106,
 &end
#
#  130 TRP  HB+         130 TRP  HD1         5.50    (#    256:60  Unique         2.55, 3.16 A)
 &rst
  ixpk= 256, nxpk= 60, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2114,2115,
 &end
#
#  130 TRP  HB-         130 TRP  HD1         3.50    (#    257:60  Unique         2.55, 3.16 A)
 &rst
  ixpk= 257, nxpk= 60, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2114,2115,
 &end
#
#    0 AMB  60-2:258      0 AMB  60-1:258    5.50    (#    258:60  Double Ambig)
 &rst
  ixpk= 258, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1=2469,2470,1719,1720, 343, 344, 343, 344,1794,1795,
      
 igr2=2123,2051,
 &end
#
#  130 TRP  HE1         130 TRP  HH2         5.50    (#    259:60  Unique         4.96, 4.97 A)
 &rst
  ixpk= 259, nxpk= 60, iat=2120,2125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  130 TRP  HZ2         130 TRP  HH2         3.50    (#    260:60  Unique         2.46, 2.46 A)
 &rst
  ixpk= 260, nxpk= 60, iat=2123,2125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  127 VAL  MGY         131 TYR  HD          4.50    (#    263:60  Unique         2.00, 5.07 A)
 &rst
  ixpk= 263, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2068,2069,2070,2072,2073,2074,
 igr2=2142,2151,
 &end
#
#  127 VAL  MGX         131 TYR  HD          3.50    (#    264:60  Unique         2.00, 5.07 A)
 &rst
  ixpk= 264, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=2068,2069,2070,2072,2073,2074,
 igr2=2142,2151,
 &end
#
#    0 AMB  60-2:265    131 TYR  HD          5.50    (#    265:60  Single Ambig)
 &rst
  ixpk= 265, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=2216,2217,2162,2163,
 igr2=2142,2151,
 &end
#
#  127 VAL  HB          131 TYR  HD          4.50    (#    266:60  Unique         2.11, 4.23 A)
 &rst
  ixpk= 266, nxpk= 60, iat=2066,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2142,2151,
 &end
#
#    0 AMB  60-2:268    131 TYR  HD          3.50    (#    268:60  Single Ambig)
 &rst
  ixpk= 268, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=2138,2139,2138,2139,
 igr2=2142,2151,
 &end
#
#  132 PRO  HD-         131 TYR  HD          5.50    (#    269:60  Unique         1.93, 4.28 A)
 &rst
  ixpk= 269, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2156,2157,
 igr2=2142,2151,
 &end
#
#  132 PRO  HD+         131 TYR  HD          5.50    (#    270:60  Unique         1.93, 4.28 A)
 &rst
  ixpk= 270, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2156,2157,
 igr2=2142,2151,
 &end
#
#  131 TYR  HA          131 TYR  HD          4.50    (#    271:60  Unique         3.06, 3.66 A)
 &rst
  ixpk= 271, nxpk= 60, iat=2136,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2142,2151,
 &end
#
#  131 TYR  HE          131 TYR  HD          2.80    (#    272:60  Unique         2.46, 3.69 A)
 &rst
  ixpk= 272, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=2144,2149,
 igr2=2142,2151,
 &end
#
#  131 TYR  HN          131 TYR  HD          4.50    (#    273:60  Unique         4.16, 4.66 A)
 &rst
  ixpk= 273, nxpk= 60, iat=2134,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2142,2151,
 &end
#
#  128 SER  HN          131 TYR  HD          5.50    (#    274:60  Unique         1.95, 4.63 A)
 &rst
  ixpk= 274, nxpk= 60, iat=2078,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2142,2151,
 &end
#
#  131 TYR  HA          131 TYR  HE          5.50    (#    278:60  Unique         4.89, 5.49 A)
 &rst
  ixpk= 278, nxpk= 60, iat=2136,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2144,2149,
 &end
#
#  139 PHE  HE          139 PHE  HD          2.80    (#    279:60  Unique         2.46, 3.69 A)
 &rst
  ixpk= 279, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=2279,2283,
 igr2=2277,2285,
 &end
#
#  139 PHE  HB+         139 PHE  HD          5.50    (#    281:60  Unique         2.28, 3.04 A)
 &rst
  ixpk= 281, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2273,2274,
 igr2=2277,2285,
 &end
#
#    0 AMB  60-2:282    139 PHE  HD          4.50    (#    282:60  Single Ambig)
 &rst
  ixpk= 282, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=2273,2274,1222,1223,
 igr2=2277,2285,
 &end
#
#  137 VAL  MGY         139 PHE  HD          4.50    (#    283:60  Unique         1.98, 5.95 A)
 &rst
  ixpk= 283, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2248,2249,2250,2252,2253,2254,
 igr2=2277,2285,
 &end
#
#  137 VAL  MGX         139 PHE  HD          5.50    (#    284:60  Unique         1.98, 5.95 A)
 &rst
  ixpk= 284, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2248,2249,2250,2252,2253,2254,
 igr2=2277,2285,
 &end
#
#  139 PHE  HD          139 PHE  HE          2.80    (#    285:60  Unique         2.46, 3.69 A)
 &rst
  ixpk= 285, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=2277,2285,
 igr2=2279,2283,
 &end
#
#  139 PHE  HB+         139 PHE  HE          5.50    (#    287:60  Unique         4.60, 5.04 A)
 &rst
  ixpk= 287, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2273,2274,
 igr2=2279,2283,
 &end
#
#   77 TYR  HB-         139 PHE  HE          5.50    (#    288:60  Unique         2.73, 6.38 A)
 &rst
  ixpk= 288, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1222,1223,
 igr2=2279,2283,
 &end
#
#    0 AMB  60-2:289    139 PHE  HE          4.50    (#    289:60  Single Ambig)
 &rst
  ixpk= 289, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1270,1271,1272,1274,1275,1276,1349,1350,1351,1353,
      1354,1355,2248,2249,2250,2252,2253,2254,
 igr2=2279,2283,
 &end
#
#    0 AMB  60-2:290    139 PHE  HE          5.50    (#    290:60  Single Ambig)
 &rst
  ixpk= 290, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=2248,2249,2250,2252,2253,2254,2296,2297,
 igr2=2279,2283,
 &end
#
#  144 TYR  HN          144 TYR  HD          4.50    (#    291:60  Unique         3.45, 4.24 A)
 &rst
  ixpk= 291, nxpk= 60, iat=2363,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2371,2380,
 &end
#
#  144 TYR  HE          144 TYR  HD          3.50    (#    293:60  Unique         2.46, 3.69 A)
 &rst
  ixpk= 293, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2373,2378,
 igr2=2371,2380,
 &end
#
#  144 TYR  HA          144 TYR  HD          4.50    (#    295:60  Unique         2.24, 3.28 A)
 &rst
  ixpk= 295, nxpk= 60, iat=2365,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2371,2380,
 &end
#
#  144 TYR  HB+         144 TYR  HD          4.50    (#    296:60  Unique         2.30, 3.06 A)
 &rst
  ixpk= 296, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2367,2368,
 igr2=2371,2380,
 &end
#
#  144 TYR  HB-         144 TYR  HD          5.50    (#    297:60  Unique         2.30, 3.06 A)
 &rst
  ixpk= 297, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2367,2368,
 igr2=2371,2380,
 &end
#
#  148 MET  HG-         144 TYR  HD          5.50    (#    298:60  Unique         2.15, 5.63 A)
 &rst
  ixpk= 298, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2455,2456,
 igr2=2371,2380,
 &end
#
#  148 MET  ME          144 TYR  HD          5.50    (#    299:60  Unique         1.99, 5.01 A)
 &rst
  ixpk= 299, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2459,2460,2461,
 igr2=2371,2380,
 &end
#
#    0 AMB  60-2:300    144 TYR  HD          4.50    (#    300:60  Single Ambig)
 &rst
  ixpk= 300, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
      2358,2359,
 igr2=2371,2380,
 &end
#
#  136 VAL  MGX         144 TYR  HD          5.50    (#    301:60  Unique         1.95, 4.75 A)
 &rst
  ixpk= 301, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2232,2233,2234,2236,2237,2238,
 igr2=2371,2380,
 &end
#
#    0 AMB  60-2:302    144 TYR  HD          4.50    (#    302:60  Single Ambig)
 &rst
  ixpk= 302, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=2232,2233,2234,2236,2237,2238,2296,2297,
 igr2=2371,2380,
 &end
#
#   99 TRP  HZ2         144 TYR  HE          4.50    (#    304:60  Unique         4.44, 6.16 A)
 &rst
  ixpk= 304, nxpk= 60, iat=1629,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2373,2378,
 &end
#
#   99 TRP  HH2         144 TYR  HE          4.50    (#    305:60  Unique         2.71, 4.11 A)
 &rst
  ixpk= 305, nxpk= 60, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2373,2378,
 &end
#
#  144 TYR  HD          144 TYR  HE          3.50    (#    307:60  Unique         2.46, 3.69 A)
 &rst
  ixpk= 307, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2371,2380,
 igr2=2373,2378,
 &end
#
#  136 VAL  HA          144 TYR  HE          5.50    (#    309:60  Unique         4.99, 7.26 A)
 &rst
  ixpk= 309, nxpk= 60, iat=2228,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2373,2378,
 &end
#
#  144 TYR  HB+         144 TYR  HE          5.50    (#    310:60  Unique         4.61, 5.05 A)
 &rst
  ixpk= 310, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2367,2368,
 igr2=2373,2378,
 &end
#
#  144 TYR  HA          144 TYR  HE          5.50    (#    311:60  Unique         4.30, 4.96 A)
 &rst
  ixpk= 311, nxpk= 60, iat=2365,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2373,2378,
 &end
#
#   35 PHE  HB+         144 TYR  HE          5.50    (#    312:60  Unique         2.92, 6.16 A)
 &rst
  ixpk= 312, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 555, 556,
 igr2=2373,2378,
 &end
#
#  136 VAL  HB          144 TYR  HE          5.50    (#    313:60  Unique         3.18, 5.74 A)
 &rst
  ixpk= 313, nxpk= 60, iat=2230,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2373,2378,
 &end
#
#    0 AMB  60-2:314    144 TYR  HE          5.50    (#    314:60  Single Ambig)
 &rst
  ixpk= 314, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2299,2300,2216,2217,2318,2319,
 igr2=2373,2378,
 &end
#
#    0 AMB  60-2:315    144 TYR  HE          5.50    (#    315:60  Single Ambig)
 &rst
  ixpk= 315, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
      2358,2359,
 igr2=2373,2378,
 &end
#
#  136 VAL  MGX         144 TYR  HE          5.50    (#    316:60  Unique         2.14, 5.48 A)
 &rst
  ixpk= 316, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2232,2233,2234,2236,2237,2238,
 igr2=2373,2378,
 &end
#
#  136 VAL  MGY         144 TYR  HE          4.50    (#    317:60  Unique         2.14, 5.48 A)
 &rst
  ixpk= 317, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2232,2233,2234,2236,2237,2238,
 igr2=2373,2378,
 &end
#
#   24 TRP  HE1          24 TRP  HZ2         5.50    (#    318:60  Unique         2.82, 2.82 A)
 &rst
  ixpk= 318, nxpk= 60, iat= 366, 369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 TRP  HH2          24 TRP  HZ2         4.50    (#    319:60  Unique         2.46, 2.46 A)
 &rst
  ixpk= 319, nxpk= 60, iat= 371, 369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  135 GLN  HB+          24 TRP  HZ2         5.50    (#    320:60  Unique         1.99, 3.35 A)
 &rst
  ixpk= 320, nxpk= 60, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2213,2214,
 &end
#
#   33 TRP  HB-          24 TRP  HZ2         4.50    (#    321:60  Unique         2.40, 3.59 A)
 &rst
  ixpk= 321, nxpk= 60, iat=  -1, 369, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 514, 515,
 &end
#
#   99 TRP  HE1          99 TRP  HZ2         5.50    (#    328:60  Unique         2.82, 2.82 A)
 &rst
  ixpk= 328, nxpk= 60, iat=1626,1629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   99 TRP  HH2          99 TRP  HZ2         5.50    (#    329:60  Unique         2.46, 2.46 A)
 &rst
  ixpk= 329, nxpk= 60, iat=1631,1629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  144 TYR  HE           99 TRP  HZ2         5.50    (#    330:60  Unique         4.44, 6.16 A)
 &rst
  ixpk= 330, nxpk= 60, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2373,2378,
 &end
#
#    0 AMB  60-2:331     99 TRP  HZ2         5.50    (#    331:60  Single Ambig)
 &rst
  ixpk= 331, nxpk= 60, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=2371,2380,1624,
 &end
#
#    0 AMB  60-2:333     99 TRP  HZ2         5.50    (#    333:60  Single Ambig)
 &rst
  ixpk= 333, nxpk= 60, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357,
      2358,2359,
 &end
#
#   99 TRP  HZ2          99 TRP  HH2         4.50    (#    334:60  Unique         2.46, 2.46 A)
 &rst
  ixpk= 334, nxpk= 60, iat=1629,1631, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  60-2:336     99 TRP  HH2         5.50    (#    336:60  Single Ambig)
 &rst
  ixpk= 336, nxpk= 60, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1589,1590,1635,
 &end
#
#    0 AMB  60-2:337     99 TRP  HH2         5.50    (#    337:60  Single Ambig)
 &rst
  ixpk= 337, nxpk= 60, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2367,2368,2418,2419,
 &end
#
#  156 MET  HN          129 TYR  HE          5.50    (#    338:60  Unique         2.90, 6.01 A)
 &rst
  ixpk= 338, nxpk= 60, iat=2575,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2099,2104,
 &end
#
#  148 MET  HG+         129 TYR  HE          5.50    (#    339:60  Unique         2.60, 5.63 A)
 &rst
  ixpk= 339, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2455,2456,
 igr2=2099,2104,
 &end
#
#    0 AMB  60-2:341    129 TYR  HE          4.50    (#    341:60  Single Ambig)
 &rst
  ixpk= 341, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=2563,2526,2527,2528,
 igr2=2099,2104,
 &end
#
#  148 MET  ME          129 TYR  HE          5.50    (#    342:60  Unique         2.18, 5.73 A)
 &rst
  ixpk= 342, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2459,2460,2461,
 igr2=2099,2104,
 &end
#
#  155 VAL  MGY         129 TYR  HE          4.50    (#    343:60  Unique         1.95, 4.98 A)
 &rst
  ixpk= 343, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2565,2566,2567,2569,2570,2571,
 igr2=2099,2104,
 &end
#
#   22 VAL  MGY         129 TYR  HE          5.50    (#    344:60  Unique         1.98, 5.96 A)
 &rst
  ixpk= 344, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 329, 330, 331, 333, 334, 335,
 igr2=2099,2104,
 &end
#
#    0 AMB  60-2:345    129 TYR  HE          5.50    (#    345:60  Single Ambig)
 &rst
  ixpk= 345, nxpk= 60, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=2549,2550,2551,2553,2554,2555,2612,2613,2614,2616,
      2617,2618,
 igr2=2099,2104,
 &end
#
#  111 ILE  HB          126 TRP  HZ2         4.50    (#    346:60  Unique         3.42, 4.18 A)
 &rst
  ixpk= 346, nxpk= 60, iat=1809,2051, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end


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