NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
17015 2b5x 6603 cing 1-original 1 AMBER distance NOE simple



#
#   95 PHE  HB+          95 PHE  HN          4.00    (#      1:10  Unique         2.11, 2.67 A)
 &rst
  ixpk= 1, nxpk= 10, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1=1516,1517,
 &end
#
#   95 PHE  HB-          95 PHE  HN          4.00    (#      2:10  Unique         2.11, 2.67 A)
 &rst
  ixpk= 2, nxpk= 10, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1516,1517,
 &end
#
#   66 ALA  MB           95 PHE  HN          5.00    (#      3:10  Unique         3.21, 4.72 A)
 &rst
  ixpk= 3, nxpk= 10, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1077,1078,1079,
 &end
#
#   94 ILE  HA           95 PHE  HN          3.00    (#      5:10  Unique         2.18, 2.19 A)
 &rst
  ixpk= 5, nxpk= 10, iat=1495,1512, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   67 VAL  HA           95 PHE  HN          4.00    (#      6:10  Unique         2.14, 2.85 A)
 &rst
  ixpk= 6, nxpk= 10, iat=1085,1512, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:7       95 PHE  HN          5.00    (#      7:10  Single Ambig)
 &rst
  ixpk= 7, nxpk= 10, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1063,1064,1065,1067,1068,1069,1063,1064,1065,1067,
      1068,1069,1506,1507,1508,
 &end
#
#   94 ILE  QG2          95 PHE  HN          4.00    (#      8:10  Unique         2.57, 3.74 A)
 &rst
  ixpk= 8, nxpk= 10, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1499,1500,1501,
 &end
#
#   95 PHE  HA           95 PHE  HN          4.00    (#      9:10  Unique         2.92, 2.93 A)
 &rst
  ixpk= 9, nxpk= 10, iat=1514,1512, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:10      96 VAL  HN          5.00    (#     10:10  Single Ambig)
 &rst
  ixpk= 10, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 240,1560,
 &end
#
#   16 TRP  HA           96 VAL  HN          5.00    (#     12:10  Unique         2.92, 3.63 A)
 &rst
  ixpk= 12, nxpk= 10, iat= 252,1532, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   96 VAL  HA           96 VAL  HN          4.00    (#     13:10  Unique         2.83, 2.91 A)
 &rst
  ixpk= 13, nxpk= 10, iat=1534,1532, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 PHE  HA           96 VAL  HN          3.00    (#     14:10  Unique         2.19, 2.24 A)
 &rst
  ixpk= 14, nxpk= 10, iat=1514,1532, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   96 VAL  HB           96 VAL  HN          4.00    (#     15:10  Unique         2.24, 3.01 A)
 &rst
  ixpk= 15, nxpk= 10, iat=1536,1532, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 PHE  HB-          96 VAL  HN          5.00    (#     16:10  Unique         2.74, 4.19 A)
 &rst
  ixpk= 16, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1516,1517,
 &end
#
#   96 VAL  MGX          96 VAL  HN          4.00    (#     17:10  Unique         1.95, 3.86 A)
 &rst
  ixpk= 17, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1538,1539,1540,1542,1543,1544,
 &end
#
#   15 ALA  MB           96 VAL  HN          5.00    (#     18:10  Unique         4.28, 5.69 A)
 &rst
  ixpk= 18, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 244, 245, 246,
 &end
#
#   96 VAL  MGY          96 VAL  HN          3.00    (#     19:10  Unique         1.95, 3.86 A)
 &rst
  ixpk= 19, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1538,1539,1540,1542,1543,1544,
 &end
#
#    0 AMB  10-2:22      69 MET  HN          5.00    (#     22:10  Single Ambig)
 &rst
  ixpk= 22, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1103,1104,1123,1124,
 &end
#
#   69 MET  HB-          69 MET  HN          4.00    (#     23:10  Unique         2.15, 2.59 A)
 &rst
  ixpk= 23, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1120,1121,
 &end
#
#   37 TRP  HN           69 MET  HN          5.00    (#     24:10  Unique         3.35, 3.64 A)
 &rst
  ixpk= 24, nxpk= 10, iat= 600,1116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 TRP  HD1          69 MET  HN          5.00    (#     25:10  Unique         5.12, 6.09 A)
 &rst
  ixpk= 25, nxpk= 10, iat= 608,1116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 MET  HA           69 MET  HN          4.00    (#     26:10  Unique         2.87, 2.89 A)
 &rst
  ixpk= 26, nxpk= 10, iat=1118,1116, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   38 SER  HA           69 MET  HN          4.00    (#     27:10  Unique         2.73, 2.94 A)
 &rst
  ixpk= 27, nxpk= 10, iat= 626,1116, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 HIS  HA           69 MET  HN          3.00    (#     28:10  Unique         2.19, 2.19 A)
 &rst
  ixpk= 28, nxpk= 10, iat=1101,1116, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   68 HIS  HB+          69 MET  HN          5.00    (#     29:10  Unique         3.47, 4.23 A)
 &rst
  ixpk= 29, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1103,1104,
 &end
#
#   69 MET  HB+          69 MET  HN          3.00    (#     30:10  Unique         2.15, 2.59 A)
 &rst
  ixpk= 30, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1120,1121,
 &end
#
#  111 VAL  MGX          69 MET  HN          5.00    (#     31:10  Unique         3.24, 5.10 A)
 &rst
  ixpk= 31, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#    0 AMB  10-2:37      33 LEU  HN          4.00    (#     37:10  Single Ambig)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1057,1027,
 &end
#
#   33 LEU  HA           33 LEU  HN          4.00    (#     38:10  Unique         2.90, 2.92 A)
 &rst
  ixpk= 38, nxpk= 10, iat= 527, 525, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   64 VAL  HA           33 LEU  HN          4.00    (#     39:10  Unique         2.57, 2.99 A)
 &rst
  ixpk= 39, nxpk= 10, iat=1043, 525, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 THR  HA           33 LEU  HN          3.00    (#     40:10  Unique         2.21, 2.31 A)
 &rst
  ixpk= 40, nxpk= 10, iat= 513, 525, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 ASN  HB-          33 LEU  HN          5.00    (#     41:10  Unique         3.48, 4.20 A)
 &rst
  ixpk= 41, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1031,1032,
 &end
#
#   33 LEU  HB+          33 LEU  HN          4.00    (#     42:10  Unique         2.53, 3.00 A)
 &rst
  ixpk= 42, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 529, 530,
 &end
#
#    0 AMB  10-2:43      33 LEU  HN          5.00    (#     43:10  Single Ambig)
 &rst
  ixpk= 43, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 554, 555,1061,1012,1013,
 &end
#
#   62 LEU  HG           33 LEU  HN          5.00    (#     44:10  Unique         4.08, 4.83 A)
 &rst
  ixpk= 44, nxpk= 10, iat=1015, 525, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 LEU  HB-          33 LEU  HN          4.00    (#     45:10  Unique         2.53, 3.00 A)
 &rst
  ixpk= 45, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 529, 530,
 &end
#
#   32 THR  MG2          33 LEU  HN          3.00    (#     46:10  Unique         1.96, 3.08 A)
 &rst
  ixpk= 46, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 517, 518, 519,
 &end
#
#   64 VAL  MGX          33 LEU  HN          4.00    (#     47:10  Unique         4.27, 5.67 A)
 &rst
  ixpk= 47, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  10-2:48      33 LEU  HN          5.00    (#     48:10  Single Ambig)
 &rst
  ixpk= 48, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 557, 558, 559,1838,1839,1840,1842,1843,1844,
 &end
#
#    0 AMB  10-2:49      33 LEU  HN          3.00    (#     49:10  Single Ambig)
 &rst
  ixpk= 49, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 424, 425, 426, 428, 429, 430,1017,1018,1019,1021,
      1022,1023,
 &end
#
#    0 AMB  10-2:50      33 LEU  HN          4.00    (#     50:10  Single Ambig)
 &rst
  ixpk= 50, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 424, 425, 426, 428, 429, 430,1017,1018,1019,1021,
      1022,1023,
 &end
#
#   65 VAL  MGX          33 LEU  HN          4.00    (#     52:10  Unique         2.59, 4.98 A)
 &rst
  ixpk= 52, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1063,1064,1065,1067,1068,1069,
 &end
#
#   32 THR  HN          117 PHE  HN          4.00    (#     57:10  Unique         2.94, 3.21 A)
 &rst
  ixpk= 57, nxpk= 10, iat= 511,1848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 LEU  HA          117 PHE  HN          5.00    (#     60:10  Unique         3.27, 3.45 A)
 &rst
  ixpk= 60, nxpk= 10, iat= 527,1848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 PHE  HA          117 PHE  HN          4.00    (#     61:10  Unique         2.91, 2.92 A)
 &rst
  ixpk= 61, nxpk= 10, iat=1850,1848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  116 VAL  HA          117 PHE  HN          3.00    (#     62:10  Unique         2.18, 2.25 A)
 &rst
  ixpk= 62, nxpk= 10, iat=1834,1848, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   32 THR  HB          117 PHE  HN          5.00    (#     63:10  Unique         3.95, 4.26 A)
 &rst
  ixpk= 63, nxpk= 10, iat= 515,1848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  123 LEU  HA          117 PHE  HN          5.00    (#     64:10  Unique         4.69, 4.92 A)
 &rst
  ixpk= 64, nxpk= 10, iat=1942,1848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 PHE  HB-         117 PHE  HN          4.00    (#     65:10  Unique         2.44, 3.17 A)
 &rst
  ixpk= 65, nxpk= 10, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1852,1853,
 &end
#
#  117 PHE  HB+         117 PHE  HN          4.00    (#     66:10  Unique         2.44, 3.17 A)
 &rst
  ixpk= 66, nxpk= 10, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1852,1853,
 &end
#
#  116 VAL  HB          117 PHE  HN          5.00    (#     67:10  Unique         3.84, 4.18 A)
 &rst
  ixpk= 67, nxpk= 10, iat=1836,1848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:68     117 PHE  HN          5.00    (#     68:10  Single Ambig)
 &rst
  ixpk= 68, nxpk= 10, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 529, 530, 128, 129, 130,
 &end
#
#    0 AMB  10-2:69     117 PHE  HN          5.00    (#     69:10  Single Ambig)
 &rst
  ixpk= 69, nxpk= 10, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#  116 VAL  MGY         117 PHE  HN          3.00    (#     70:10  Unique         2.18, 4.09 A)
 &rst
  ixpk= 70, nxpk= 10, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1838,1839,1840,1842,1843,1844,
 &end
#
#   16 TRP  HZ2          16 TRP  HE1         3.00    (#     71:10  Unique         2.85, 2.85 A)
 &rst
  ixpk= 71, nxpk= 10, iat= 263, 260, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   16 TRP  HD1          16 TRP  HE1         3.00    (#     72:10  Unique         2.64, 2.64 A)
 &rst
  ixpk= 72, nxpk= 10, iat= 258, 260, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   20 GLU  HG-          16 TRP  HE1         5.00    (#     74:10  Unique         4.94, 5.82 A)
 &rst
  ixpk= 74, nxpk= 10, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 321, 322,
 &end
#
#   20 GLU  HG+          16 TRP  HE1         5.00    (#     75:10  Unique         4.94, 5.82 A)
 &rst
  ixpk= 75, nxpk= 10, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 321, 322,
 &end
#
#   94 ILE  HA           66 ALA  HN          4.00    (#     77:10  Unique         2.30, 2.69 A)
 &rst
  ixpk= 77, nxpk= 10, iat=1495,1073, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:78      66 ALA  HN          3.00    (#     78:10  Single Ambig)
 &rst
  ixpk= 78, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1059,1075,
 &end
#
#    0 AMB  10-2:79      66 ALA  HN          5.00    (#     79:10  Single Ambig)
 &rst
  ixpk= 79, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1480,1481,1480,1481,
 &end
#
#   92 GLN  HG+          66 ALA  HN          5.00    (#     80:10  Unique         2.17, 3.85 A)
 &rst
  ixpk= 80, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1469,1470,
 &end
#
#   66 ALA  MB           66 ALA  HN          3.00    (#     81:10  Unique         2.12, 2.98 A)
 &rst
  ixpk= 81, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1077,1078,1079,
 &end
#
#   95 PHE  HN           66 ALA  HN          5.00    (#     82:10  Unique         3.34, 3.68 A)
 &rst
  ixpk= 82, nxpk= 10, iat=1512,1073, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 GLN  HG-          66 ALA  HN          5.00    (#     84:10  Unique         2.17, 3.85 A)
 &rst
  ixpk= 84, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1469,1470,
 &end
#
#    0 AMB  10-2:85      66 ALA  HN          4.00    (#     85:10  Single Ambig)
 &rst
  ixpk= 85, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1061,1497,
 &end
#
#   64 VAL  MGY          66 ALA  HN          5.00    (#     86:10  Unique         4.15, 7.01 A)
 &rst
  ixpk= 86, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  10-2:87      66 ALA  HN          3.00    (#     87:10  Single Ambig)
 &rst
  ixpk= 87, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1063,1064,1065,1067,1068,1069,1063,1064,1065,1067,
      1068,1069,
 &end
#
#   94 ILE  HG1-         66 ALA  HN          5.00    (#     88:10  Unique         2.01, 4.49 A)
 &rst
  ixpk= 88, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1503,1504,
 &end
#
#    0 AMB  10-2:89      66 ALA  HN          5.00    (#     89:10  Single Ambig)
 &rst
  ixpk= 89, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1435,1436,1437, 550, 551, 552,
 &end
#
#  115 TYR  HB-          34 ILE  HN          4.00    (#     92:10  Unique         2.27, 3.29 A)
 &rst
  ixpk= 92, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1815,1816,
 &end
#
#   34 ILE  HG1-         34 ILE  HN          4.00    (#     93:10  Unique         2.40, 3.47 A)
 &rst
  ixpk= 93, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 554, 555,
 &end
#
#  115 TYR  HN           34 ILE  HN          5.00    (#     96:10  Unique         2.63, 3.10 A)
 &rst
  ixpk= 96, nxpk= 10, iat=1811, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:97      34 ILE  HN          5.00    (#     97:10  Single Ambig)
 &rst
  ixpk= 97, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 563,1832,
 &end
#
#    0 AMB  10-2:98      34 ILE  HN          3.00    (#     98:10  Single Ambig)
 &rst
  ixpk= 98, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 527, 546,
 &end
#
#    0 AMB  10-2:99      34 ILE  HN          4.00    (#     99:10  Single Ambig)
 &rst
  ixpk= 99, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1834,1813,
 &end
#
#  115 TYR  HB+          34 ILE  HN          5.00    (#    100:10  Unique         2.27, 3.29 A)
 &rst
  ixpk= 100, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1815,1816,
 &end
#
#   33 LEU  HB+          34 ILE  HN          5.00    (#    101:10  Unique         4.18, 4.42 A)
 &rst
  ixpk= 101, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 529, 530,
 &end
#
#   34 ILE  HB           34 ILE  HN          3.00    (#    102:10  Unique         2.48, 2.61 A)
 &rst
  ixpk= 102, nxpk= 10, iat= 548, 544, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   34 ILE  HG1+         34 ILE  HN          4.00    (#    103:10  Unique         2.40, 3.47 A)
 &rst
  ixpk= 103, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 554, 555,
 &end
#
#   33 LEU  HG           34 ILE  HN          5.00    (#    104:10  Unique         3.10, 3.94 A)
 &rst
  ixpk= 104, nxpk= 10, iat= 532, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:105     34 ILE  HN          4.00    (#    105:10  Single Ambig)
 &rst
  ixpk= 105, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 529, 530, 128, 129, 130,
 &end
#
#    0 AMB  10-2:106     34 ILE  HN          5.00    (#    106:10  Single Ambig)
 &rst
  ixpk= 106, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 534, 535, 536, 538, 539, 540,1063,1064,1065,1067,
      1068,1069,
 &end
#
#   34 ILE  QD1          34 ILE  HN          4.00    (#    107:10  Unique         2.11, 3.60 A)
 &rst
  ixpk= 107, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 557, 558, 559,
 &end
#
#   34 ILE  QG2          34 ILE  HN          5.00    (#    108:10  Unique         4.33, 4.62 A)
 &rst
  ixpk= 108, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 550, 551, 552,
 &end
#
#  147 THR  HA          148 GLU  HN          3.00    (#    119:10  Unique         2.41, 2.86 A)
 &rst
  ixpk= 119, nxpk= 10, iat=2331,2343, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:120    148 GLU  HN          4.00    (#    120:10  Single Ambig)
 &rst
  ixpk= 120, nxpk= 10, iat=  -1,2343, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2306,2333,
 &end
#
#  148 GLU  HG+         148 GLU  HN          4.00    (#    123:10  Unique         3.28, 4.41 A)
 &rst
  ixpk= 123, nxpk= 10, iat=  -1,2343, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2350,2351,
 &end
#
#  148 GLU  HB-         148 GLU  HN          4.00    (#    124:10  Unique         2.76, 3.37 A)
 &rst
  ixpk= 124, nxpk= 10, iat=  -1,2343, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2347,2348,
 &end
#
#  148 GLU  HB+         148 GLU  HN          4.00    (#    125:10  Unique         2.76, 3.37 A)
 &rst
  ixpk= 125, nxpk= 10, iat=  -1,2343, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2347,2348,
 &end
#
#  147 THR  MG2         148 GLU  HN          4.00    (#    126:10  Unique         1.94, 3.96 A)
 &rst
  ixpk= 126, nxpk= 10, iat=  -1,2343, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2335,2336,2337,
 &end
#
#   91 THR  HB           92 GLN  HN          5.00    (#    129:10  Unique         3.85, 4.09 A)
 &rst
  ixpk= 129, nxpk= 10, iat=1452,1462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ASN  HD2+         92 GLN  HN          4.00    (#    131:10  Unique         3.97, 4.44 A)
 &rst
  ixpk= 131, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 302, 303,
 &end
#
#   91 THR  HN           92 GLN  HN          3.00    (#    132:10  Unique         1.83, 2.16 A)
 &rst
  ixpk= 132, nxpk= 10, iat=1448,1462, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 GLN  HA           92 GLN  HN          4.00    (#    134:10  Unique         2.68, 2.75 A)
 &rst
  ixpk= 134, nxpk= 10, iat=1464,1462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 THR  HA           92 GLN  HN          4.00    (#    135:10  Unique         3.47, 3.55 A)
 &rst
  ixpk= 135, nxpk= 10, iat=1450,1462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:136     92 GLN  HN          5.00    (#    136:10  Single Ambig)
 &rst
  ixpk= 136, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1480,1481,1480,1481,
 &end
#
#   90 ILE  HA           92 GLN  HN          5.00    (#    137:10  Unique         3.28, 3.53 A)
 &rst
  ixpk= 137, nxpk= 10, iat=1431,1462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:138     92 GLN  HN          5.00    (#    138:10  Single Ambig)
 &rst
  ixpk= 138, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 838, 839, 297, 298,
 &end
#
#   92 GLN  HB+          92 GLN  HN          4.00    (#    139:10  Unique         2.14, 2.93 A)
 &rst
  ixpk= 139, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1466,1467,
 &end
#
#   55 ARG  HB-          92 GLN  HN          5.00    (#    140:10  Unique         3.39, 4.27 A)
 &rst
  ixpk= 140, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 887, 888,
 &end
#
#   92 GLN  HG-          92 GLN  HN          4.00    (#    141:10  Unique         1.87, 3.07 A)
 &rst
  ixpk= 141, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1469,1470,
 &end
#
#   92 GLN  HG+          92 GLN  HN          4.00    (#    142:10  Unique         1.87, 3.07 A)
 &rst
  ixpk= 142, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1469,1470,
 &end
#
#   92 GLN  HB-          92 GLN  HN          3.00    (#    143:10  Unique         2.14, 2.93 A)
 &rst
  ixpk= 143, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1466,1467,
 &end
#
#   64 VAL  MGY          92 GLN  HN          5.00    (#    144:10  Unique         5.47, 6.83 A)
 &rst
  ixpk= 144, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#   91 THR  MG2          92 GLN  HN          5.00    (#    145:10  Unique         3.75, 4.61 A)
 &rst
  ixpk= 145, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1454,1455,1456,
 &end
#
#   90 ILE  QG2          92 GLN  HN          5.00    (#    146:10  Unique         3.31, 4.46 A)
 &rst
  ixpk= 146, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1435,1436,1437,
 &end
#
#   33 LEU  HB+          65 VAL  HN          5.00    (#    147:10  Unique         3.46, 4.61 A)
 &rst
  ixpk= 147, nxpk= 10, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 529, 530,
 &end
#
#   33 LEU  HB-          65 VAL  HN          5.00    (#    148:10  Unique         3.46, 4.61 A)
 &rst
  ixpk= 148, nxpk= 10, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 529, 530,
 &end
#
#   44 CYS  HN           43 LEU  HN          3.00    (#    149:10  Unique         2.71, 2.79 A)
 &rst
  ixpk= 149, nxpk= 10, iat= 712, 693, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:151     43 LEU  HN          4.00    (#    151:10  Single Ambig)
 &rst
  ixpk= 151, nxpk= 10, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 678,2063,
 &end
#
#   43 LEU  HA           43 LEU  HN          3.00    (#    152:10  Unique         2.70, 2.73 A)
 &rst
  ixpk= 152, nxpk= 10, iat= 695, 693, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:153     43 LEU  HN          3.00    (#    153:10  Single Ambig)
 &rst
  ixpk= 153, nxpk= 10, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 697, 698,1770,1771,1770,1771,
 &end
#
#   43 LEU  HB+          43 LEU  HN          3.00    (#    154:10  Unique         2.35, 3.03 A)
 &rst
  ixpk= 154, nxpk= 10, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 697, 698,
 &end
#
#   43 LEU  MDY          43 LEU  HN          4.00    (#    155:10  Unique         1.89, 3.90 A)
 &rst
  ixpk= 155, nxpk= 10, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#   43 LEU  MDX          43 LEU  HN          4.00    (#    156:10  Unique         1.89, 3.90 A)
 &rst
  ixpk= 156, nxpk= 10, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#  115 TYR  HA          126 PHE  HN          5.00    (#    158:10  Unique         4.71, 4.82 A)
 &rst
  ixpk= 158, nxpk= 10, iat=1813,2000, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  127 GLN  HN          126 PHE  HN          5.00    (#    159:10  Unique         3.89, 4.11 A)
 &rst
  ixpk= 159, nxpk= 10, iat=2020,2000, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  125 HIS  HN          126 PHE  HN          5.00    (#    160:10  Unique         4.29, 4.34 A)
 &rst
  ixpk= 160, nxpk= 10, iat=1983,2000, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  126 PHE  HA          126 PHE  HN          3.00    (#    162:10  Unique         2.87, 2.89 A)
 &rst
  ixpk= 162, nxpk= 10, iat=2002,2000, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  125 HIS  HA          126 PHE  HN          3.00    (#    163:10  Unique         2.39, 2.47 A)
 &rst
  ixpk= 163, nxpk= 10, iat=1985,2000, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  125 HIS  HB-         126 PHE  HN          4.00    (#    165:10  Unique         2.59, 3.68 A)
 &rst
  ixpk= 165, nxpk= 10, iat=  -1,2000, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1987,1988,
 &end
#
#  126 PHE  HB-         126 PHE  HN          4.00    (#    166:10  Unique         2.49, 3.14 A)
 &rst
  ixpk= 166, nxpk= 10, iat=  -1,2000, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2004,2005,
 &end
#
#  126 PHE  HB+         126 PHE  HN          3.00    (#    167:10  Unique         2.49, 3.14 A)
 &rst
  ixpk= 167, nxpk= 10, iat=  -1,2000, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2004,2005,
 &end
#
#  125 HIS  HB+         126 PHE  HN          4.00    (#    168:10  Unique         2.59, 3.68 A)
 &rst
  ixpk= 168, nxpk= 10, iat=  -1,2000, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1987,1988,
 &end
#
#    3 LEU  MDY         126 PHE  HN          5.00    (#    169:10  Unique         3.13, 5.68 A)
 &rst
  ixpk= 169, nxpk= 10, iat=  -1,2000, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#  123 LEU  MDY         126 PHE  HN          5.00    (#    170:10  Unique         3.67, 6.15 A)
 &rst
  ixpk= 170, nxpk= 10, iat=  -1,2000, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#   33 LEU  HN           65 VAL  HN          5.00    (#    171:10  Unique         3.06, 3.81 A)
 &rst
  ixpk= 171, nxpk= 10, iat= 525,1057, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HD2          65 VAL  HN          4.00    (#    172:10  Unique         3.26, 3.90 A)
 &rst
  ixpk= 172, nxpk= 10, iat= 576,1057, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 ILE  HA           65 VAL  HN          4.00    (#    173:10  Unique         3.05, 3.28 A)
 &rst
  ixpk= 173, nxpk= 10, iat= 546,1057, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   65 VAL  HA           65 VAL  HN          4.00    (#    174:10  Unique         2.83, 2.88 A)
 &rst
  ixpk= 174, nxpk= 10, iat=1059,1057, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   64 VAL  HB           65 VAL  HN          5.00    (#    175:10  Unique         3.44, 3.75 A)
 &rst
  ixpk= 175, nxpk= 10, iat=1045,1057, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 VAL  HN           65 VAL  HN          5.00    (#    176:10  Unique         4.16, 4.47 A)
 &rst
  ixpk= 176, nxpk= 10, iat=1041,1057, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 VAL  HA           65 VAL  HN          3.00    (#    177:10  Unique         2.20, 2.30 A)
 &rst
  ixpk= 177, nxpk= 10, iat=1043,1057, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:178     65 VAL  HN          4.00    (#    178:10  Single Ambig)
 &rst
  ixpk= 178, nxpk= 10, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1061, 554, 555,
 &end
#
#   33 LEU  HG           65 VAL  HN          5.00    (#    179:10  Unique         3.11, 4.26 A)
 &rst
  ixpk= 179, nxpk= 10, iat= 532,1057, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:180     65 VAL  HN          3.00    (#    180:10  Single Ambig)
 &rst
  ixpk= 180, nxpk= 10, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1047,1048,1049,1051,1052,1053, 534, 535, 536, 538,
       539, 540,
 &end
#
#   64 VAL  MGX          65 VAL  HN          4.00    (#    181:10  Unique         2.24, 4.30 A)
 &rst
  ixpk= 181, nxpk= 10, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  10-2:182     65 VAL  HN          3.00    (#    182:10  Single Ambig)
 &rst
  ixpk= 182, nxpk= 10, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1063,1064,1065,1067,1068,1069, 534, 535, 536, 538,
       539, 540,
 &end
#
#    0 AMB  10-2:183     65 VAL  HN          5.00    (#    183:10  Single Ambig)
 &rst
  ixpk= 183, nxpk= 10, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 424, 425, 426, 428, 429, 430,1017,1018,1019,1021,
      1022,1023,
 &end
#
#   34 ILE  QG2          65 VAL  HN          5.00    (#    184:10  Unique         5.11, 5.94 A)
 &rst
  ixpk= 184, nxpk= 10, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 550, 551, 552,
 &end
#
#  100 HIS  HD2         102 LEU  HN          5.00    (#    185:10  Unique         3.55, 5.74 A)
 &rst
  ixpk= 185, nxpk= 10, iat=1596,1610, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  101 ALA  HA          102 LEU  HN          4.00    (#    187:10  Unique         3.49, 3.57 A)
 &rst
  ixpk= 187, nxpk= 10, iat=1602,1610, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  102 LEU  HG          102 LEU  HN          5.00    (#    188:10  Unique         2.26, 3.33 A)
 &rst
  ixpk= 188, nxpk= 10, iat=1617,1610, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 LEU  MDX         102 LEU  HN          5.00    (#    189:10  Unique         1.94, 3.79 A)
 &rst
  ixpk= 189, nxpk= 10, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#  103 THR  HN          102 LEU  HN          3.00    (#    190:10  Unique         2.52, 2.63 A)
 &rst
  ixpk= 190, nxpk= 10, iat=1629,1610, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  101 ALA  HN          102 LEU  HN          4.00    (#    191:10  Unique         2.62, 2.84 A)
 &rst
  ixpk= 191, nxpk= 10, iat=1600,1610, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:192    102 LEU  HN          4.00    (#    192:10  Single Ambig)
 &rst
  ixpk= 192, nxpk= 10, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1612,1585,
 &end
#
#  101 ALA  MB          102 LEU  HN          3.00    (#    193:10  Unique         1.99, 3.51 A)
 &rst
  ixpk= 193, nxpk= 10, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1604,1605,1606,
 &end
#
#  102 LEU  HB-         102 LEU  HN          3.00    (#    194:10  Unique         1.99, 2.91 A)
 &rst
  ixpk= 194, nxpk= 10, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1614,1615,
 &end
#
#  102 LEU  HB+         102 LEU  HN          4.00    (#    195:10  Unique         1.99, 2.91 A)
 &rst
  ixpk= 195, nxpk= 10, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1614,1615,
 &end
#
#  102 LEU  MDY         102 LEU  HN          5.00    (#    196:10  Unique         1.94, 3.79 A)
 &rst
  ixpk= 196, nxpk= 10, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#  118 ASP  HN          124 ARG  HN          5.00    (#    197:10  Unique         3.74, 4.01 A)
 &rst
  ixpk= 197, nxpk= 10, iat=1868,1959, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  125 HIS  HN          124 ARG  HN          3.00    (#    198:10  Unique         1.86, 2.03 A)
 &rst
  ixpk= 198, nxpk= 10, iat=1983,1959, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  124 ARG  HG+         124 ARG  HN          5.00    (#    199:10  Unique         2.63, 3.83 A)
 &rst
  ixpk= 199, nxpk= 10, iat=  -1,1959, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1966,1967,
 &end
#
#  124 ARG  HG-         124 ARG  HN          5.00    (#    200:10  Unique         2.63, 3.83 A)
 &rst
  ixpk= 200, nxpk= 10, iat=  -1,1959, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1966,1967,
 &end
#
#    0 AMB  10-2:201    124 ARG  HN          5.00    (#    201:10  Single Ambig)
 &rst
  ixpk= 201, nxpk= 10, iat=  -1,1959, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1944,1945,  47,  48,
 &end
#
#    0 AMB  10-2:202    124 ARG  HN          4.00    (#    202:10  Single Ambig)
 &rst
  ixpk= 202, nxpk= 10, iat=  -1,1959, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1949,1950,1951,1953,1954,1955,1838,1839,1840,1842,
      1843,1844,
 &end
#
#  123 LEU  MDY         124 ARG  HN          3.00    (#    203:10  Unique         1.91, 4.26 A)
 &rst
  ixpk= 203, nxpk= 10, iat=  -1,1959, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#  117 PHE  HA          124 ARG  HN          4.00    (#    204:10  Unique         2.54, 2.75 A)
 &rst
  ixpk= 204, nxpk= 10, iat=1850,1959, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:205    124 ARG  HN          4.00    (#    205:10  Single Ambig)
 &rst
  ixpk= 205, nxpk= 10, iat=  -1,1959, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1961,1985,
 &end
#
#  123 LEU  HA          124 ARG  HN          3.00    (#    206:10  Unique         2.18, 2.21 A)
 &rst
  ixpk= 206, nxpk= 10, iat=1942,1959, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  124 ARG  HB+         124 ARG  HN          4.00    (#    207:10  Unique         2.16, 2.99 A)
 &rst
  ixpk= 207, nxpk= 10, iat=  -1,1959, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1963,1964,
 &end
#
#  124 ARG  HB-         124 ARG  HN          4.00    (#    208:10  Unique         2.16, 2.99 A)
 &rst
  ixpk= 208, nxpk= 10, iat=  -1,1959, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1963,1964,
 &end
#
#  123 LEU  HG          124 ARG  HN          5.00    (#    209:10  Unique         2.36, 3.58 A)
 &rst
  ixpk= 209, nxpk= 10, iat=1947,1959, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   41 CYS  HA           41 CYS  HN          3.00    (#    212:10  Unique         2.91, 2.92 A)
 &rst
  ixpk= 212, nxpk= 10, iat= 667, 665, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   40 SER  HA           41 CYS  HN          4.00    (#    213:10  Unique         2.87, 3.01 A)
 &rst
  ixpk= 213, nxpk= 10, iat= 656, 665, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:214     41 CYS  HN          5.00    (#    214:10  Single Ambig)
 &rst
  ixpk= 214, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 626, 714,
 &end
#
#   39 ILE  HA           41 CYS  HN          4.00    (#    215:10  Unique         3.38, 3.54 A)
 &rst
  ixpk= 215, nxpk= 10, iat= 637, 665, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   44 CYS  HB-          41 CYS  HN          5.00    (#    216:10  Unique         2.86, 3.73 A)
 &rst
  ixpk= 216, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 716, 717,
 &end
#
#   38 SER  HB-          41 CYS  HN          4.00    (#    217:10  Unique         2.99, 4.30 A)
 &rst
  ixpk= 217, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 628, 629,
 &end
#
#   38 SER  HB+          41 CYS  HN          4.00    (#    218:10  Unique         2.99, 4.30 A)
 &rst
  ixpk= 218, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 628, 629,
 &end
#
#   41 CYS  HB+          41 CYS  HN          3.00    (#    219:10  Unique         2.23, 3.01 A)
 &rst
  ixpk= 219, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 669, 670,
 &end
#
#   44 CYS  HB+          41 CYS  HN          5.00    (#    220:10  Unique         2.86, 3.73 A)
 &rst
  ixpk= 220, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 716, 717,
 &end
#
#   41 CYS  HB-          41 CYS  HN          3.00    (#    221:10  Unique         2.23, 3.01 A)
 &rst
  ixpk= 221, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 669, 670,
 &end
#
#  111 VAL  MGY          41 CYS  HN          5.00    (#    222:10  Unique         5.66, 7.52 A)
 &rst
  ixpk= 222, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#  110 TYR  HN          109 GLU  HN          4.00    (#    223:10  Unique         1.77, 1.89 A)
 &rst
  ixpk= 223, nxpk= 10, iat=1729,1714, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  108 ASN  HA          109 GLU  HN          3.00    (#    226:10  Unique         2.26, 2.33 A)
 &rst
  ixpk= 226, nxpk= 10, iat=1702,1714, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 GLU  HA          109 GLU  HN          4.00    (#    227:10  Unique         2.74, 2.80 A)
 &rst
  ixpk= 227, nxpk= 10, iat=1716,1714, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:228    109 GLU  HN          5.00    (#    228:10  Single Ambig)
 &rst
  ixpk= 228, nxpk= 10, iat=  -1,1714, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1721,1722,1784,1785,1786,
 &end
#
#  109 GLU  HB-         109 GLU  HN          3.00    (#    229:10  Unique         2.68, 3.30 A)
 &rst
  ixpk= 229, nxpk= 10, iat=  -1,1714, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1718,1719,
 &end
#
#  109 GLU  HG-         109 GLU  HN          5.00    (#    230:10  Unique         4.01, 4.64 A)
 &rst
  ixpk= 230, nxpk= 10, iat=  -1,1714, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1721,1722,
 &end
#
#  106 PHE  HN          105 ALA  HN          3.00    (#    231:10  Unique         2.07, 2.19 A)
 &rst
  ixpk= 231, nxpk= 10, iat=1665,1655, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  105 ALA  HA          105 ALA  HN          3.00    (#    233:10  Unique         2.89, 2.92 A)
 &rst
  ixpk= 233, nxpk= 10, iat=1657,1655, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  104 ASP  HB-         105 ALA  HN          3.00    (#    234:10  Unique         2.66, 3.48 A)
 &rst
  ixpk= 234, nxpk= 10, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1647,1648,
 &end
#
#  104 ASP  HN          105 ALA  HN          3.00    (#    236:10  Unique         2.04, 2.15 A)
 &rst
  ixpk= 236, nxpk= 10, iat=1643,1655, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  104 ASP  HA          105 ALA  HN          4.00    (#    238:10  Unique         3.43, 3.51 A)
 &rst
  ixpk= 238, nxpk= 10, iat=1645,1655, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  102 LEU  HA          105 ALA  HN          4.00    (#    239:10  Unique         2.73, 2.98 A)
 &rst
  ixpk= 239, nxpk= 10, iat=1612,1655, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  106 PHE  HA          105 ALA  HN          5.00    (#    240:10  Unique         4.71, 4.79 A)
 &rst
  ixpk= 240, nxpk= 10, iat=1667,1655, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:241    105 ALA  HN          5.00    (#    241:10  Single Ambig)
 &rst
  ixpk= 241, nxpk= 10, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1631,1687,
 &end
#
#    0 AMB  10-2:242    105 ALA  HN          5.00    (#    242:10  Single Ambig)
 &rst
  ixpk= 242, nxpk= 10, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1669,1670,  11,  12,
 &end
#
#  105 ALA  MB          105 ALA  HN          3.00    (#    244:10  Unique         2.12, 2.95 A)
 &rst
  ixpk= 244, nxpk= 10, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1659,1660,1661,
 &end
#
#    0 AMB  10-2:245    105 ALA  HN          5.00    (#    245:10  Single Ambig)
 &rst
  ixpk= 245, nxpk= 10, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1614,1615,1635,1636,1637,
 &end
#
#  102 LEU  MDX         105 ALA  HN          5.00    (#    246:10  Unique         4.51, 6.59 A)
 &rst
  ixpk= 246, nxpk= 10, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#   43 LEU  HN           44 CYS  HN          3.00    (#    248:10  Unique         2.71, 2.79 A)
 &rst
  ixpk= 248, nxpk= 10, iat= 693, 712, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:249     44 CYS  HN          5.00    (#    249:10  Single Ambig)
 &rst
  ixpk= 249, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 760, 624, 770,
 &end
#
#   45 LYS  HN           44 CYS  HN          4.00    (#    250:10  Unique         2.46, 2.58 A)
 &rst
  ixpk= 250, nxpk= 10, iat= 723, 712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   42 HIS  HA           44 CYS  HN          5.00    (#    252:10  Unique         3.61, 3.87 A)
 &rst
  ixpk= 252, nxpk= 10, iat= 678, 712, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 CYS  HA           44 CYS  HN          4.00    (#    253:10  Unique         2.71, 2.79 A)
 &rst
  ixpk= 253, nxpk= 10, iat= 714, 712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   44 CYS  HB+          44 CYS  HN          4.00    (#    254:10  Unique         2.13, 2.69 A)
 &rst
  ixpk= 254, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 716, 717,
 &end
#
#   41 CYS  HB-          44 CYS  HN          5.00    (#    255:10  Unique         2.20, 3.01 A)
 &rst
  ixpk= 255, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 669, 670,
 &end
#
#    0 AMB  10-2:256     44 CYS  HN          3.00    (#    256:10  Single Ambig)
 &rst
  ixpk= 256, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1770,1771,1770,1771, 697, 698,
 &end
#
#   43 LEU  HB+          44 CYS  HN          4.00    (#    257:10  Unique         2.59, 3.56 A)
 &rst
  ixpk= 257, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 697, 698,
 &end
#
#   43 LEU  MDY          44 CYS  HN          5.00    (#    258:10  Unique         4.36, 5.77 A)
 &rst
  ixpk= 258, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#   43 LEU  HA           44 CYS  HN          4.00    (#    259:10  Unique         3.44, 3.52 A)
 &rst
  ixpk= 259, nxpk= 10, iat= 695, 712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   44 CYS  HB-          44 CYS  HN          4.00    (#    260:10  Unique         2.13, 2.69 A)
 &rst
  ixpk= 260, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 716, 717,
 &end
#
#    0 AMB  10-2:261     44 CYS  HN          5.00    (#    261:10  Single Ambig)
 &rst
  ixpk= 261, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 702, 703, 704, 706, 707, 708,1756,1757,1758,1760,
      1761,1762,
 &end
#
#   94 ILE  QG2          68 HIS  HN          4.00    (#    262:10  Unique         3.05, 4.07 A)
 &rst
  ixpk= 262, nxpk= 10, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1499,1500,1501,
 &end
#
#   96 VAL  MGY          68 HIS  HN          5.00    (#    263:10  Unique         2.63, 5.01 A)
 &rst
  ixpk= 263, nxpk= 10, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1538,1539,1540,1542,1543,1544,
 &end
#
#   67 VAL  MGX          68 HIS  HN          4.00    (#    264:10  Unique         2.48, 4.64 A)
 &rst
  ixpk= 264, nxpk= 10, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   67 VAL  HA           68 HIS  HN          3.00    (#    266:10  Unique         2.18, 2.20 A)
 &rst
  ixpk= 266, nxpk= 10, iat=1085,1099, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   96 VAL  HA           68 HIS  HN          4.00    (#    267:10  Unique         2.31, 2.94 A)
 &rst
  ixpk= 267, nxpk= 10, iat=1534,1099, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 HIS  HA           68 HIS  HN          5.00    (#    268:10  Unique         2.82, 2.86 A)
 &rst
  ixpk= 268, nxpk= 10, iat=1101,1099, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   68 HIS  HB-          68 HIS  HN          4.00    (#    269:10  Unique         2.04, 2.65 A)
 &rst
  ixpk= 269, nxpk= 10, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1103,1104,
 &end
#
#    0 AMB  10-2:270     68 HIS  HN          4.00    (#    270:10  Single Ambig)
 &rst
  ixpk= 270, nxpk= 10, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1103,1104,1536,
 &end
#
#   67 VAL  MGY          68 HIS  HN          4.00    (#    271:10  Unique         2.48, 4.64 A)
 &rst
  ixpk= 271, nxpk= 10, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   41 CYS  HB+          44 CYS  HN          5.00    (#    274:10  Unique         2.20, 3.01 A)
 &rst
  ixpk= 274, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 669, 670,
 &end
#
#    0 AMB  10-2:276     44 CYS  HN          5.00    (#    276:10  Single Ambig)
 &rst
  ixpk= 276, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 730, 731, 764, 765, 766,
 &end
#
#   35 HIS  HD2          35 HIS  HN          3.00    (#    277:10  Unique         1.86, 2.33 A)
 &rst
  ixpk= 277, nxpk= 10, iat= 576, 563, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   35 HIS  HA           35 HIS  HN          4.00    (#    278:10  Unique         2.93, 2.93 A)
 &rst
  ixpk= 278, nxpk= 10, iat= 565, 563, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 ILE  HA           35 HIS  HN          3.00    (#    279:10  Unique         2.18, 2.18 A)
 &rst
  ixpk= 279, nxpk= 10, iat= 546, 563, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   35 HIS  HB-          35 HIS  HN          5.00    (#    280:10  Unique         2.72, 3.44 A)
 &rst
  ixpk= 280, nxpk= 10, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 567, 568,
 &end
#
#   35 HIS  HB+          35 HIS  HN          5.00    (#    281:10  Unique         2.72, 3.44 A)
 &rst
  ixpk= 281, nxpk= 10, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 567, 568,
 &end
#
#    0 AMB  10-2:282     35 HIS  HN          4.00    (#    282:10  Single Ambig)
 &rst
  ixpk= 282, nxpk= 10, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 534, 535, 536, 538, 539, 540, 554, 555,
 &end
#
#   34 ILE  QG2          35 HIS  HN          3.00    (#    283:10  Unique         2.69, 3.92 A)
 &rst
  ixpk= 283, nxpk= 10, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 550, 551, 552,
 &end
#
#   66 ALA  HA           35 HIS  HN          3.00    (#    285:10  Unique         2.43, 2.73 A)
 &rst
  ixpk= 285, nxpk= 10, iat=1075, 563, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:286      0 AMB  10-1:286    5.00    (#    286:10  Double Ambig)
 &rst
  ixpk= 286, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 532,1516,1517,
 igr2= 563,1099,
 &end
#
#    0 AMB  10-2:287     35 HIS  HN          5.00    (#    287:10  Single Ambig)
 &rst
  ixpk= 287, nxpk= 10, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 534, 535, 536, 538, 539, 540,1063,1064,1065,1067,
      1068,1069,1063,1064,1065,1067,1068,1069,
 &end
#
#   10 LEU  MDX          10 LEU  HN          5.00    (#    288:10  Unique         1.93, 4.02 A)
 &rst
  ixpk= 288, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 172, 173, 174, 176, 177, 178,
 &end
#
#   10 LEU  HA           10 LEU  HN          4.00    (#    289:10  Unique         2.21, 2.82 A)
 &rst
  ixpk= 289, nxpk= 10, iat= 165, 163, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    9 GLU  HA           10 LEU  HN          3.00    (#    290:10  Unique         2.20, 2.50 A)
 &rst
  ixpk= 290, nxpk= 10, iat= 150, 163, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    9 GLU  HG-          10 LEU  HN          5.00    (#    291:10  Unique         4.01, 4.80 A)
 &rst
  ixpk= 291, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 155, 156,
 &end
#
#   10 LEU  HB+          10 LEU  HN          4.00    (#    292:10  Unique         2.16, 3.13 A)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 167, 168,
 &end
#
#    9 GLU  HB-          10 LEU  HN          4.00    (#    293:10  Unique         2.16, 4.20 A)
 &rst
  ixpk= 293, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 152, 153,
 &end
#
#    9 GLU  HB+          10 LEU  HN          4.00    (#    294:10  Unique         2.16, 4.20 A)
 &rst
  ixpk= 294, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 152, 153,
 &end
#
#   10 LEU  HG           10 LEU  HN          4.00    (#    295:10  Unique         1.96, 3.64 A)
 &rst
  ixpk= 295, nxpk= 10, iat= 170, 163, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:296     10 LEU  HN          4.00    (#    296:10  Single Ambig)
 &rst
  ixpk= 296, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 167, 168,1604,1605,1606,
 &end
#
#    0 AMB  10-2:298     10 LEU  HN          5.00    (#    298:10  Single Ambig)
 &rst
  ixpk= 298, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 188, 189, 190, 138, 139,
 &end
#
#   10 LEU  MDY          10 LEU  HN          5.00    (#    299:10  Unique         1.93, 4.02 A)
 &rst
  ixpk= 299, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 172, 173, 174, 176, 177, 178,
 &end
#
#    0 AMB  10-2:300     35 HIS  HN          5.00    (#    300:10  Single Ambig)
 &rst
  ixpk= 300, nxpk= 10, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 554, 555,1061,
 &end
#
#   38 SER  HA           39 ILE  HN          3.00    (#    302:10  Unique         2.22, 2.35 A)
 &rst
  ixpk= 302, nxpk= 10, iat= 626, 635, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   39 ILE  HB           39 ILE  HN          4.00    (#    303:10  Unique         3.50, 3.56 A)
 &rst
  ixpk= 303, nxpk= 10, iat= 639, 635, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   39 ILE  HG1+         39 ILE  HN          4.00    (#    304:10  Unique         2.13, 2.72 A)
 &rst
  ixpk= 304, nxpk= 10, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 645, 646,
 &end
#
#   39 ILE  QG2          39 ILE  HN          4.00    (#    305:10  Unique         1.92, 2.98 A)
 &rst
  ixpk= 305, nxpk= 10, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 641, 642, 643,
 &end
#
#    0 AMB  10-2:306     39 ILE  HN          5.00    (#    306:10  Single Ambig)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 648, 649, 650,1756,1757,1758,1760,1761,1762,
 &end
#
#   39 ILE  HA           39 ILE  HN          4.00    (#    308:10  Unique         2.75, 2.83 A)
 &rst
  ixpk= 308, nxpk= 10, iat= 637, 635, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   39 ILE  HG1-         39 ILE  HN          4.00    (#    309:10  Unique         2.13, 2.72 A)
 &rst
  ixpk= 309, nxpk= 10, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 645, 646,
 &end
#
#    4 ARG  HN          123 LEU  HN          4.00    (#    310:10  Unique         3.44, 4.01 A)
 &rst
  ixpk= 310, nxpk= 10, iat=  62,1940, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  122 GLN  HN          123 LEU  HN          5.00    (#    311:10  Unique         4.20, 4.40 A)
 &rst
  ixpk= 311, nxpk= 10, iat=1923,1940, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 PRO  HA          123 LEU  HN          4.00    (#    314:10  Unique         2.54, 2.86 A)
 &rst
  ixpk= 314, nxpk= 10, iat= 113,1940, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  122 GLN  HA          123 LEU  HN          3.00    (#    315:10  Unique         2.20, 2.22 A)
 &rst
  ixpk= 315, nxpk= 10, iat=1925,1940, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:316    123 LEU  HN          3.00    (#    316:10  Single Ambig)
 &rst
  ixpk= 316, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1942,  64,
 &end
#
#    0 AMB  10-2:317    123 LEU  HN          5.00    (#    317:10  Single Ambig)
 &rst
  ixpk= 317, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1927,1928,1930,1931,  90,  91,
 &end
#
#  123 LEU  HB-         123 LEU  HN          3.00    (#    318:10  Unique         2.13, 2.45 A)
 &rst
  ixpk= 318, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1944,1945,
 &end
#
#    0 AMB  10-2:319    123 LEU  HN          4.00    (#    319:10  Single Ambig)
 &rst
  ixpk= 319, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1927,1928,1966,1967,  69,  70,
 &end
#
#  123 LEU  HB+         123 LEU  HN          3.00    (#    320:10  Unique         2.13, 2.45 A)
 &rst
  ixpk= 320, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1944,1945,
 &end
#
#    0 AMB  10-2:321    123 LEU  HN          5.00    (#    321:10  Single Ambig)
 &rst
  ixpk= 321, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1947, 124, 125,
 &end
#
#  123 LEU  MDY         123 LEU  HN          4.00    (#    322:10  Unique         3.82, 4.99 A)
 &rst
  ixpk= 322, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#    0 AMB  10-2:323    123 LEU  HN          5.00    (#    323:10  Single Ambig)
 &rst
  ixpk= 323, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 117,1868,
 &end
#
#    5 GLN  HN          123 LEU  HN          4.00    (#    324:10  Unique         2.75, 3.01 A)
 &rst
  ixpk= 324, nxpk= 10, iat=  86,1940, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  122 GLN  HG-         123 LEU  HN          5.00    (#    326:10  Unique         3.30, 4.48 A)
 &rst
  ixpk= 326, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1930,1931,
 &end
#
#    6 PRO  HB+         123 LEU  HN          5.00    (#    327:10  Unique         2.30, 4.18 A)
 &rst
  ixpk= 327, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 110, 111,
 &end
#
#  123 LEU  MDX         123 LEU  HN          4.00    (#    328:10  Unique         3.82, 4.99 A)
 &rst
  ixpk= 328, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#  113 ALA  HN           36 PHE  HN          4.00    (#    330:10  Unique         2.51, 2.81 A)
 &rst
  ixpk= 330, nxpk= 10, iat=1780, 580, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 PHE  HA           36 PHE  HN          4.00    (#    331:10  Unique         2.89, 2.92 A)
 &rst
  ixpk= 331, nxpk= 10, iat= 582, 580, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 HIS  HB+          36 PHE  HN          4.00    (#    332:10  Unique         3.14, 3.65 A)
 &rst
  ixpk= 332, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 567, 568,
 &end
#
#   37 TRP  HD1          36 PHE  HN          4.00    (#    333:10  Unique         3.70, 4.38 A)
 &rst
  ixpk= 333, nxpk= 10, iat= 608, 580, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 HIS  HA           36 PHE  HN          3.00    (#    334:10  Unique         2.19, 2.24 A)
 &rst
  ixpk= 334, nxpk= 10, iat= 565, 580, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   35 HIS  HB-          36 PHE  HN          4.00    (#    335:10  Unique         3.14, 3.65 A)
 &rst
  ixpk= 335, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 567, 568,
 &end
#
#   36 PHE  HB+          36 PHE  HN          4.00    (#    336:10  Unique         2.08, 2.90 A)
 &rst
  ixpk= 336, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 584, 585,
 &end
#
#   36 PHE  HB-          36 PHE  HN          4.00    (#    337:10  Unique         2.08, 2.90 A)
 &rst
  ixpk= 337, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 584, 585,
 &end
#
#  113 ALA  MB           36 PHE  HN          5.00    (#    338:10  Unique         2.49, 3.85 A)
 &rst
  ixpk= 338, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1784,1785,1786,
 &end
#
#    0 AMB  10-2:341     85 ALA  HN          5.00    (#    341:10  Single Ambig)
 &rst
  ixpk= 341, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1389,1390,1340,1341,
 &end
#
#   84 THR  HN           85 ALA  HN          3.00    (#    343:10  Unique         2.62, 2.86 A)
 &rst
  ixpk= 343, nxpk= 10, iat=1351,1365, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   82 LYS  HN           85 ALA  HN          5.00    (#    344:10  Unique         4.37, 4.55 A)
 &rst
  ixpk= 344, nxpk= 10, iat=1314,1365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 GLU  HN           85 ALA  HN          5.00    (#    345:10  Unique         3.84, 4.19 A)
 &rst
  ixpk= 345, nxpk= 10, iat=1336,1365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 GLU  HN           85 ALA  HN          5.00    (#    346:10  Unique         3.57, 3.80 A)
 &rst
  ixpk= 346, nxpk= 10, iat=1385,1365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 HIS  HD2          85 ALA  HN          5.00    (#    347:10  Unique         4.19, 4.58 A)
 &rst
  ixpk= 347, nxpk= 10, iat=1413,1365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 THR  HB           85 ALA  HN          3.00    (#    349:10  Unique         2.29, 2.83 A)
 &rst
  ixpk= 349, nxpk= 10, iat=1355,1365, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:350     85 ALA  HN          4.00    (#    350:10  Single Ambig)
 &rst
  ixpk= 350, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1353,1377,
 &end
#
#   83 GLU  HA           85 ALA  HN          5.00    (#    351:10  Unique         4.07, 4.43 A)
 &rst
  ixpk= 351, nxpk= 10, iat=1338,1365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:352     85 ALA  HN          3.00    (#    352:10  Single Ambig)
 &rst
  ixpk= 352, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1367,1316,
 &end
#
#   81 ILE  HA           85 ALA  HN          5.00    (#    353:10  Unique         2.90, 3.32 A)
 &rst
  ixpk= 353, nxpk= 10, iat=1297,1365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:354     85 ALA  HN          5.00    (#    354:10  Single Ambig)
 &rst
  ixpk= 354, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1433,1324,1325,
 &end
#
#   85 ALA  MB           85 ALA  HN          3.00    (#    355:10  Unique         2.04, 2.84 A)
 &rst
  ixpk= 355, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1369,1370,1371,
 &end
#
#    0 AMB  10-2:356     85 ALA  HN          3.00    (#    356:10  Single Ambig)
 &rst
  ixpk= 356, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1357,1358,1359,1379,1380,1381,
 &end
#
#   39 ILE  QG2          85 ALA  HN          5.00    (#    357:10  Unique         4.51, 5.75 A)
 &rst
  ixpk= 357, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 641, 642, 643,
 &end
#
#    0 AMB  10-2:358     85 ALA  HN          5.00    (#    358:10  Single Ambig)
 &rst
  ixpk= 358, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 283, 284, 285, 287, 288, 289,1506,1507,1508,
 &end
#
#   81 ILE  QG2          85 ALA  HN          4.00    (#    359:10  Unique         3.37, 4.64 A)
 &rst
  ixpk= 359, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1301,1302,1303,
 &end
#
#   90 ILE  QD1          85 ALA  HN          5.00    (#    360:10  Unique         4.04, 5.24 A)
 &rst
  ixpk= 360, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1442,1443,1444,
 &end
#
#   62 LEU  HB+          63 ASN  HN          5.00    (#    362:10  Unique         2.77, 3.65 A)
 &rst
  ixpk= 362, nxpk= 10, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1012,1013,
 &end
#
#   33 LEU  HN           63 ASN  HN          5.00    (#    363:10  Unique         4.21, 4.45 A)
 &rst
  ixpk= 363, nxpk= 10, iat= 525,1027, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 VAL  HN           63 ASN  HN          5.00    (#    364:10  Unique         4.36, 4.49 A)
 &rst
  ixpk= 364, nxpk= 10, iat=1041,1027, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ASN  HA           63 ASN  HN          4.00    (#    365:10  Unique         2.81, 2.86 A)
 &rst
  ixpk= 365, nxpk= 10, iat=1029,1027, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:366     63 ASN  HN          4.00    (#    366:10  Single Ambig)
 &rst
  ixpk= 366, nxpk= 10, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1012,1013, 479, 480,
 &end
#
#    0 AMB  10-2:367     63 ASN  HN          5.00    (#    367:10  Single Ambig)
 &rst
  ixpk= 367, nxpk= 10, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 485, 486, 529, 530, 482, 483,
 &end
#
#    0 AMB  10-2:368     63 ASN  HN          5.00    (#    368:10  Single Ambig)
 &rst
  ixpk= 368, nxpk= 10, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2294,2295,2296,2298,2299,2300, 440, 441, 442,
 &end
#
#   62 LEU  MDX          63 ASN  HN          3.00    (#    369:10  Unique         2.05, 4.49 A)
 &rst
  ixpk= 369, nxpk= 10, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1017,1018,1019,1021,1022,1023,
 &end
#
#   62 LEU  MDY          63 ASN  HN          4.00    (#    370:10  Unique         2.05, 4.49 A)
 &rst
  ixpk= 370, nxpk= 10, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1017,1018,1019,1021,1022,1023,
 &end
#
#   63 ASN  HD2-         63 ASN  HN          5.00    (#    372:10  Unique         1.94, 3.01 A)
 &rst
  ixpk= 372, nxpk= 10, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1036,1037,
 &end
#
#   32 THR  HA           63 ASN  HN          3.00    (#    373:10  Unique         2.74, 2.92 A)
 &rst
  ixpk= 373, nxpk= 10, iat= 513,1027, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 LEU  HA           63 ASN  HN          3.00    (#    374:10  Unique         2.19, 2.37 A)
 &rst
  ixpk= 374, nxpk= 10, iat=1010,1027, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 ASN  HB-          63 ASN  HN          3.00    (#    375:10  Unique         2.31, 3.05 A)
 &rst
  ixpk= 375, nxpk= 10, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1031,1032,
 &end
#
#   63 ASN  HB+          63 ASN  HN          4.00    (#    376:10  Unique         2.31, 3.05 A)
 &rst
  ixpk= 376, nxpk= 10, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1031,1032,
 &end
#
#   32 THR  MG2          63 ASN  HN          5.00    (#    377:10  Unique         5.05, 6.00 A)
 &rst
  ixpk= 377, nxpk= 10, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 517, 518, 519,
 &end
#
#    0 AMB  10-2:380     64 VAL  HN          4.00    (#    380:10  Single Ambig)
 &rst
  ixpk= 380, nxpk= 10, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1057,1027,
 &end
#
#   64 VAL  HA           64 VAL  HN          4.00    (#    381:10  Unique         2.89, 2.93 A)
 &rst
  ixpk= 381, nxpk= 10, iat=1043,1041, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   63 ASN  HA           64 VAL  HN          3.00    (#    382:10  Unique         2.25, 2.28 A)
 &rst
  ixpk= 382, nxpk= 10, iat=1029,1041, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 ASN  HB+          64 VAL  HN          4.00    (#    383:10  Unique         3.04, 3.82 A)
 &rst
  ixpk= 383, nxpk= 10, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1031,1032,
 &end
#
#   64 VAL  HB           64 VAL  HN          3.00    (#    384:10  Unique         2.59, 2.82 A)
 &rst
  ixpk= 384, nxpk= 10, iat=1045,1041, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   64 VAL  MGY          64 VAL  HN          4.00    (#    385:10  Unique         2.07, 3.74 A)
 &rst
  ixpk= 385, nxpk= 10, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#   65 VAL  MGX          64 VAL  HN          5.00    (#    386:10  Unique         3.92, 6.42 A)
 &rst
  ixpk= 386, nxpk= 10, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1063,1064,1065,1067,1068,1069,
 &end
#
#    0 AMB  10-2:387     64 VAL  HN          4.00    (#    387:10  Single Ambig)
 &rst
  ixpk= 387, nxpk= 10, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1017,1018,1019,1021,1022,1023, 424, 425, 426, 428,
       429, 430,
 &end
#
#  127 GLN  HN          128 ALA  HN          5.00    (#    389:10  Unique         4.21, 4.42 A)
 &rst
  ixpk= 389, nxpk= 10, iat=2020,2037, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 GLY  HN           80 LYS  HN          3.00    (#    391:10  Unique         2.24, 2.47 A)
 &rst
  ixpk= 391, nxpk= 10, iat=1266,1273, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:392      0 AMB  10-1:392    5.00    (#    392:10  Double Ambig)
 &rst
  ixpk= 392, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1314,1643,
 igr2=1273,1600,
 &end
#
#    0 AMB  10-2:394      0 AMB  10-1:394    3.00    (#    394:10  Double Ambig)
 &rst
  ixpk= 394, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1602,1275,
 igr2=1600,1273,
 &end
#
#   79 GLY  HA-          80 LYS  HN          3.00    (#    395:10  Unique         2.87, 3.29 A)
 &rst
  ixpk= 395, nxpk= 10, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1268,1269,
 &end
#
#   79 GLY  HA+          80 LYS  HN          3.00    (#    396:10  Unique         2.87, 3.29 A)
 &rst
  ixpk= 396, nxpk= 10, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1268,1269,
 &end
#
#   77 ASP  HB+          80 LYS  HN          4.00    (#    397:10  Unique         2.06, 3.26 A)
 &rst
  ixpk= 397, nxpk= 10, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1244,1245,
 &end
#
#   80 LYS  HB-          80 LYS  HN          3.00    (#    398:10  Unique         2.15, 2.97 A)
 &rst
  ixpk= 398, nxpk= 10, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1277,1278,
 &end
#
#   80 LYS  HD-          80 LYS  HN          4.00    (#    399:10  Unique         2.45, 3.72 A)
 &rst
  ixpk= 399, nxpk= 10, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1283,1284,
 &end
#
#   80 LYS  HG-          80 LYS  HN          4.00    (#    400:10  Unique         1.91, 3.20 A)
 &rst
  ixpk= 400, nxpk= 10, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1280,1281,
 &end
#
#   81 ILE  HG1+         80 LYS  HN          5.00    (#    401:10  Unique         3.71, 5.28 A)
 &rst
  ixpk= 401, nxpk= 10, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1305,1306,
 &end
#
#  100 HIS  HN          101 ALA  HN          4.00    (#    402:10  Unique         2.52, 3.00 A)
 &rst
  ixpk= 402, nxpk= 10, iat=1583,1600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 PHE  HZ          101 ALA  HN          4.00    (#    403:10  Unique         2.26, 5.29 A)
 &rst
  ixpk= 403, nxpk= 10, iat=1524,1600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:404      0 AMB  10-1:404    4.00    (#    404:10  Double Ambig)
 &rst
  ixpk= 404, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1244,1245,1575,1576,
 igr2=1273,1600,
 &end
#
#   97 ASP  HB+         101 ALA  HN          5.00    (#    405:10  Unique         2.66, 4.39 A)
 &rst
  ixpk= 405, nxpk= 10, iat=  -1,1600, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1552,1553,
 &end
#
#   80 LYS  HG+          80 LYS  HN          3.00    (#    406:10  Unique         1.91, 3.20 A)
 &rst
  ixpk= 406, nxpk= 10, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1280,1281,
 &end
#
#  102 LEU  HN          101 ALA  HN          4.00    (#    408:10  Unique         2.62, 2.84 A)
 &rst
  ixpk= 408, nxpk= 10, iat=1610,1600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  100 HIS  HA          101 ALA  HN          4.00    (#    409:10  Unique         2.20, 2.50 A)
 &rst
  ixpk= 409, nxpk= 10, iat=1585,1600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   63 ASN  HB-          64 VAL  HN          4.00    (#    410:10  Unique         3.04, 3.82 A)
 &rst
  ixpk= 410, nxpk= 10, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1031,1032,
 &end
#
#   64 VAL  MGX          64 VAL  HN          3.00    (#    412:10  Unique         2.07, 3.74 A)
 &rst
  ixpk= 412, nxpk= 10, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#  128 ALA  HA          128 ALA  HN          3.00    (#    413:10  Unique         2.90, 2.92 A)
 &rst
  ixpk= 413, nxpk= 10, iat=2039,2037, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  127 GLN  HA          128 ALA  HN          3.00    (#    416:10  Unique         2.23, 2.28 A)
 &rst
  ixpk= 416, nxpk= 10, iat=2022,2037, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  127 GLN  HB+         128 ALA  HN          4.00    (#    417:10  Unique         2.84, 3.92 A)
 &rst
  ixpk= 417, nxpk= 10, iat=  -1,2037, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2024,2025,
 &end
#
#  127 GLN  HB-         128 ALA  HN          4.00    (#    418:10  Unique         2.84, 3.92 A)
 &rst
  ixpk= 418, nxpk= 10, iat=  -1,2037, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2024,2025,
 &end
#
#  113 ALA  MB          128 ALA  HN          5.00    (#    419:10  Unique         4.57, 6.00 A)
 &rst
  ixpk= 419, nxpk= 10, iat=  -1,2037, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1784,1785,1786,
 &end
#
#  128 ALA  MB          128 ALA  HN          3.00    (#    420:10  Unique         2.51, 3.24 A)
 &rst
  ixpk= 420, nxpk= 10, iat=  -1,2037, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2041,2042,2043,
 &end
#
#   52 ASN  HN           51 VAL  HN          3.00    (#    421:10  Unique         2.29, 2.40 A)
 &rst
  ixpk= 421, nxpk= 10, iat= 834, 818, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   50 GLN  HN           51 VAL  HN          3.00    (#    422:10  Unique         2.35, 2.47 A)
 &rst
  ixpk= 422, nxpk= 10, iat= 801, 818, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 MET  HA           51 VAL  HN          4.00    (#    423:10  Unique         3.56, 3.65 A)
 &rst
  ixpk= 423, nxpk= 10, iat= 772, 818, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:424     51 VAL  HN          4.00    (#    424:10  Single Ambig)
 &rst
  ixpk= 424, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 803, 573,
 &end
#
#   51 VAL  HA           51 VAL  HN          4.00    (#    425:10  Unique         2.85, 2.87 A)
 &rst
  ixpk= 425, nxpk= 10, iat= 820, 818, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:426     51 VAL  HN          3.00    (#    426:10  Single Ambig)
 &rst
  ixpk= 426, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 805, 806, 808, 809,
 &end
#
#   51 VAL  HB           51 VAL  HN          3.00    (#    427:10  Unique         2.00, 2.10 A)
 &rst
  ixpk= 427, nxpk= 10, iat= 822, 818, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   51 VAL  MGY          51 VAL  HN          3.00    (#    428:10  Unique         2.76, 3.96 A)
 &rst
  ixpk= 428, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#   51 VAL  MGX          51 VAL  HN          4.00    (#    429:10  Unique         2.76, 3.96 A)
 &rst
  ixpk= 429, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#  133 MET  ME           51 VAL  HN          5.00    (#    430:10  Unique         3.55, 5.36 A)
 &rst
  ixpk= 430, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2090,2091,2092,
 &end
#
#   56 ASP  HN           57 LYS  HN          4.00    (#    431:10  Unique         2.58, 2.65 A)
 &rst
  ixpk= 431, nxpk= 10, iat= 907, 919, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   54 PHE  HA           57 LYS  HN          5.00    (#    432:10  Unique         3.13, 3.42 A)
 &rst
  ixpk= 432, nxpk= 10, iat= 865, 919, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 GLU  HA           57 LYS  HN          5.00    (#    433:10  Unique         4.18, 4.32 A)
 &rst
  ixpk= 433, nxpk= 10, iat= 850, 919, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:434      0 AMB  10-1:434    3.00    (#    434:10  Double Ambig)
 &rst
  ixpk= 434, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 911, 912,1466,1467,
 igr2= 919,1041,
 &end
#
#   58 TYR  HN           57 LYS  HN          3.00    (#    436:10  Unique         2.42, 2.82 A)
 &rst
  ixpk= 436, nxpk= 10, iat= 941, 919, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   56 ASP  HA           57 LYS  HN          5.00    (#    437:10  Unique         3.44, 3.48 A)
 &rst
  ixpk= 437, nxpk= 10, iat= 909, 919, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 LYS  HA           57 LYS  HN          3.00    (#    438:10  Unique         2.75, 2.80 A)
 &rst
  ixpk= 438, nxpk= 10, iat= 921, 919, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   57 LYS  HB-          57 LYS  HN          3.00    (#    439:10  Unique         2.01, 2.59 A)
 &rst
  ixpk= 439, nxpk= 10, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 923, 924,
 &end
#
#   57 LYS  HB+          57 LYS  HN          3.00    (#    440:10  Unique         2.01, 2.59 A)
 &rst
  ixpk= 440, nxpk= 10, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 923, 924,
 &end
#
#   94 ILE  HN           17 LEU  HN          4.00    (#    442:10  Unique         3.05, 3.41 A)
 &rst
  ixpk= 442, nxpk= 10, iat=1493, 274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16 TRP  HE3          17 LEU  HN          4.00    (#    443:10  Unique         3.33, 3.86 A)
 &rst
  ixpk= 443, nxpk= 10, iat= 269, 274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16 TRP  HA           17 LEU  HN          3.00    (#    444:10  Unique         2.21, 2.27 A)
 &rst
  ixpk= 444, nxpk= 10, iat= 252, 274, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   17 LEU  HA           17 LEU  HN          4.00    (#    445:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 445, nxpk= 10, iat= 276, 274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16 TRP  HB-          17 LEU  HN          4.00    (#    446:10  Unique         2.83, 3.62 A)
 &rst
  ixpk= 446, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 254, 255,
 &end
#
#    0 AMB  10-2:447     17 LEU  HN          5.00    (#    447:10  Single Ambig)
 &rst
  ixpk= 447, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 254, 255, 297, 298,
 &end
#
#   94 ILE  HB           17 LEU  HN          4.00    (#    448:10  Unique         2.60, 3.14 A)
 &rst
  ixpk= 448, nxpk= 10, iat=1497, 274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 LEU  HB-          17 LEU  HN          4.00    (#    449:10  Unique         2.38, 3.06 A)
 &rst
  ixpk= 449, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 278, 279,
 &end
#
#    0 AMB  10-2:450     17 LEU  HN          3.00    (#    450:10  Single Ambig)
 &rst
  ixpk= 450, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 281, 278, 279,
 &end
#
#    0 AMB  10-2:451     17 LEU  HN          4.00    (#    451:10  Single Ambig)
 &rst
  ixpk= 451, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 283, 284, 285, 287, 288, 289,1538,1539,1540,1542,
      1543,1544,
 &end
#
#    0 AMB  10-2:452     17 LEU  HN          4.00    (#    452:10  Single Ambig)
 &rst
  ixpk= 452, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 283, 284, 285, 287, 288, 289,1538,1539,1540,1542,
      1543,1544,
 &end
#
#    0 AMB  10-2:453     30 LYS  HN          5.00    (#    453:10  Single Ambig)
 &rst
  ixpk= 453, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1890,1891,1887,1888,
 &end
#
#   37 TRP  HD1          37 TRP  HN          3.00    (#    454:10  Unique         1.86, 2.71 A)
 &rst
  ixpk= 454, nxpk= 10, iat= 608, 600, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   37 TRP  HA           37 TRP  HN          4.00    (#    455:10  Unique         2.88, 2.92 A)
 &rst
  ixpk= 455, nxpk= 10, iat= 602, 600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:456      0 AMB  10-1:456    4.00    (#    456:10  Double Ambig)
 &rst
  ixpk= 456, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1101, 498, 499,
 igr2= 600, 475,
 &end
#
#   36 PHE  HA           37 TRP  HN          3.00    (#    457:10  Unique         2.19, 2.22 A)
 &rst
  ixpk= 457, nxpk= 10, iat= 582, 600, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    3 LEU  HN            2 LYS  HN          5.00    (#    458:10  Unique         2.56, 3.55 A)
 &rst
  ixpk= 458, nxpk= 10, iat=  43,  21, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    2 LYS  HA            2 LYS  HN          3.00    (#    464:10  Unique         2.82, 2.88 A)
 &rst
  ixpk= 464, nxpk= 10, iat=  23,  21, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    1 MET  HA            2 LYS  HN          3.00    (#    465:10  Unique         2.20, 2.46 A)
 &rst
  ixpk= 465, nxpk= 10, iat=   6,  21, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    5 GLN  HG+           2 LYS  HN          3.00    (#    466:10  Unique         1.88, 3.23 A)
 &rst
  ixpk= 466, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  93,  94,
 &end
#
#    5 GLN  HB+           2 LYS  HN          4.00    (#    467:10  Unique         3.12, 3.98 A)
 &rst
  ixpk= 467, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  90,  91,
 &end
#
#    5 GLN  HB-           2 LYS  HN          4.00    (#    468:10  Unique         3.12, 3.98 A)
 &rst
  ixpk= 468, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  90,  91,
 &end
#
#    1 MET  HB-           2 LYS  HN          4.00    (#    469:10  Unique         2.12, 3.45 A)
 &rst
  ixpk= 469, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=   8,   9,
 &end
#
#    1 MET  HB+           2 LYS  HN          3.00    (#    470:10  Unique         2.12, 3.45 A)
 &rst
  ixpk= 470, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=   8,   9,
 &end
#
#    2 LYS  HB-           2 LYS  HN          4.00    (#    471:10  Unique         3.07, 3.64 A)
 &rst
  ixpk= 471, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  25,  26,
 &end
#
#    2 LYS  HG-           2 LYS  HN          3.00    (#    472:10  Unique         2.21, 3.07 A)
 &rst
  ixpk= 472, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  28,  29,
 &end
#
#  123 LEU  MDX           2 LYS  HN          5.00    (#    473:10  Unique         2.64, 5.74 A)
 &rst
  ixpk= 473, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#   29 GLU  HN           30 LYS  HN          3.00    (#    477:10  Unique         1.74, 1.96 A)
 &rst
  ixpk= 477, nxpk= 10, iat= 460, 475, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   30 LYS  HA           30 LYS  HN          4.00    (#    478:10  Unique         2.91, 2.93 A)
 &rst
  ixpk= 478, nxpk= 10, iat= 477, 475, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:481     30 LYS  HN          4.00    (#    481:10  Single Ambig)
 &rst
  ixpk= 481, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 462, 455, 456,
 &end
#
#    0 AMB  10-2:482     30 LYS  HN          5.00    (#    482:10  Single Ambig)
 &rst
  ixpk= 482, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1882, 498, 499,
 &end
#
#   29 GLU  HG-          30 LYS  HN          5.00    (#    483:10  Unique         2.01, 3.98 A)
 &rst
  ixpk= 483, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 467, 468,
 &end
#
#   29 GLU  HG+          30 LYS  HN          5.00    (#    484:10  Unique         2.01, 3.98 A)
 &rst
  ixpk= 484, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 467, 468,
 &end
#
#   29 GLU  HB+          30 LYS  HN          4.00    (#    485:10  Unique         2.66, 3.59 A)
 &rst
  ixpk= 485, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 464, 465,
 &end
#
#    0 AMB  10-2:487     30 LYS  HN          3.00    (#    487:10  Single Ambig)
 &rst
  ixpk= 487, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 479, 480,1884,1885,
 &end
#
#   30 LYS  HD+          30 LYS  HN          5.00    (#    488:10  Unique         2.68, 3.82 A)
 &rst
  ixpk= 488, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 485, 486,
 &end
#
#    0 AMB  10-2:489     30 LYS  HN          3.00    (#    489:10  Single Ambig)
 &rst
  ixpk= 489, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 482, 483, 485, 486,
 &end
#
#   27 ILE  HG1-         23 ARG  HN          5.00    (#    490:10  Unique         5.41, 6.01 A)
 &rst
  ixpk= 490, nxpk= 10, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 444, 445,
 &end
#
#   24 GLU  HN           23 ARG  HN          4.00    (#    491:10  Unique         2.69, 2.95 A)
 &rst
  ixpk= 491, nxpk= 10, iat= 383, 359, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 THR  HA           23 ARG  HN          3.00    (#    492:10  Unique         2.30, 2.40 A)
 &rst
  ixpk= 492, nxpk= 10, iat= 347, 359, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   22 THR  HB           23 ARG  HN          3.00    (#    493:10  Unique         2.77, 3.04 A)
 &rst
  ixpk= 493, nxpk= 10, iat= 349, 359, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   23 ARG  HA           23 ARG  HN          3.00    (#    494:10  Unique         2.61, 2.65 A)
 &rst
  ixpk= 494, nxpk= 10, iat= 361, 359, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   23 ARG  HB+          23 ARG  HN          3.00    (#    495:10  Unique         2.30, 2.97 A)
 &rst
  ixpk= 495, nxpk= 10, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 363, 364,
 &end
#
#   23 ARG  HG-          23 ARG  HN          4.00    (#    496:10  Unique         1.99, 2.94 A)
 &rst
  ixpk= 496, nxpk= 10, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 366, 367,
 &end
#
#   22 THR  MG2          23 ARG  HN          4.00    (#    497:10  Unique         1.97, 3.73 A)
 &rst
  ixpk= 497, nxpk= 10, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 351, 352, 353,
 &end
#
#   10 LEU  MDX          23 ARG  HN          5.00    (#    498:10  Unique         2.15, 5.06 A)
 &rst
  ixpk= 498, nxpk= 10, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 172, 173, 174, 176, 177, 178,
 &end
#
#   80 LYS  HA           81 ILE  HN          5.00    (#    501:10  Unique         3.56, 3.62 A)
 &rst
  ixpk= 501, nxpk= 10, iat=1275,1295, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 GLY  HN           81 ILE  HN          5.00    (#    502:10  Unique         3.87, 4.23 A)
 &rst
  ixpk= 502, nxpk= 10, iat=1266,1295, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 LYS  HN           81 ILE  HN          3.00    (#    503:10  Unique         2.74, 2.95 A)
 &rst
  ixpk= 503, nxpk= 10, iat=1314,1295, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   80 LYS  HN           81 ILE  HN          3.00    (#    504:10  Unique         2.35, 2.53 A)
 &rst
  ixpk= 504, nxpk= 10, iat=1273,1295, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:505     81 ILE  HN          4.00    (#    505:10  Single Ambig)
 &rst
  ixpk= 505, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1262,1109,
 &end
#
#   81 ILE  HA           81 ILE  HN          4.00    (#    506:10  Unique         2.66, 2.70 A)
 &rst
  ixpk= 506, nxpk= 10, iat=1297,1295, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   82 LYS  HB-          81 ILE  HN          5.00    (#    507:10  Unique         4.45, 5.28 A)
 &rst
  ixpk= 507, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1318,1319,
 &end
#
#   80 LYS  HB-          81 ILE  HN          4.00    (#    508:10  Unique         2.36, 3.10 A)
 &rst
  ixpk= 508, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1277,1278,
 &end
#
#   81 ILE  HB           81 ILE  HN          3.00    (#    509:10  Unique         2.23, 2.39 A)
 &rst
  ixpk= 509, nxpk= 10, iat=1299,1295, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   81 ILE  HG1+         81 ILE  HN          3.00    (#    510:10  Unique         1.91, 3.00 A)
 &rst
  ixpk= 510, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1305,1306,
 &end
#
#   39 ILE  QG2          81 ILE  HN          5.00    (#    511:10  Unique         4.08, 5.45 A)
 &rst
  ixpk= 511, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 641, 642, 643,
 &end
#
#   39 ILE  QD1          81 ILE  HN          4.00    (#    512:10  Unique         3.09, 4.63 A)
 &rst
  ixpk= 512, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 648, 649, 650,
 &end
#
#   81 ILE  QG2          81 ILE  HN          4.00    (#    513:10  Unique         4.18, 4.45 A)
 &rst
  ixpk= 513, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1301,1302,1303,
 &end
#
#   81 ILE  QD1          81 ILE  HN          4.00    (#    514:10  Unique         1.99, 3.59 A)
 &rst
  ixpk= 514, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1308,1309,1310,
 &end
#
#   81 ILE  HG1-         81 ILE  HN          4.00    (#    515:10  Unique         1.91, 3.00 A)
 &rst
  ixpk= 515, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1305,1306,
 &end
#
#   83 GLU  HN           81 ILE  HN          5.00    (#    516:10  Unique         3.93, 4.60 A)
 &rst
  ixpk= 516, nxpk= 10, iat=1336,1295, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  125 HIS  HN          116 VAL  HN          4.00    (#    519:10  Unique         2.95, 3.11 A)
 &rst
  ixpk= 519, nxpk= 10, iat=1983,1832, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  126 PHE  HA          116 VAL  HN          4.00    (#    521:10  Unique         2.88, 3.03 A)
 &rst
  ixpk= 521, nxpk= 10, iat=2002,1832, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:523    116 VAL  HN          3.00    (#    523:10  Single Ambig)
 &rst
  ixpk= 523, nxpk= 10, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1813,1834,
 &end
#
#    0 AMB  10-2:524    116 VAL  HN          5.00    (#    524:10  Single Ambig)
 &rst
  ixpk= 524, nxpk= 10, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1985,1961,
 &end
#
#  125 HIS  HB-         116 VAL  HN          5.00    (#    525:10  Unique         4.16, 5.19 A)
 &rst
  ixpk= 525, nxpk= 10, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1987,1988,
 &end
#
#  115 TYR  HB+         116 VAL  HN          4.00    (#    526:10  Unique         2.84, 3.68 A)
 &rst
  ixpk= 526, nxpk= 10, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1815,1816,
 &end
#
#    0 AMB  10-2:527    116 VAL  HN          5.00    (#    527:10  Single Ambig)
 &rst
  ixpk= 527, nxpk= 10, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1987,1988, 529, 530,
 &end
#
#  116 VAL  HB          116 VAL  HN          3.00    (#    528:10  Unique         2.30, 2.51 A)
 &rst
  ixpk= 528, nxpk= 10, iat=1836,1832, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:529    116 VAL  HN          3.00    (#    529:10  Single Ambig)
 &rst
  ixpk= 529, nxpk= 10, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,1949,1950,1951,1953,1954,1955,
 &end
#
#  123 LEU  MDY         116 VAL  HN          3.00    (#    530:10  Unique         2.90, 4.81 A)
 &rst
  ixpk= 530, nxpk= 10, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#  124 ARG  HN          116 VAL  HN          5.00    (#    531:10  Unique         3.87, 4.06 A)
 &rst
  ixpk= 531, nxpk= 10, iat=1959,1832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 PRO  HB-           7 MET  HN          4.00    (#    532:10  Unique         2.08, 3.86 A)
 &rst
  ixpk= 532, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 110, 111,
 &end
#
#    6 PRO  HA            7 MET  HN          3.00    (#    536:10  Unique         2.15, 2.33 A)
 &rst
  ixpk= 536, nxpk= 10, iat= 113, 117, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  122 GLN  HA            7 MET  HN          5.00    (#    538:10  Unique         3.90, 4.45 A)
 &rst
  ixpk= 538, nxpk= 10, iat=1925, 117, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    7 MET  HA            7 MET  HN          4.00    (#    539:10  Unique         2.18, 2.32 A)
 &rst
  ixpk= 539, nxpk= 10, iat= 119, 117, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  121 GLY  HA+           7 MET  HN          5.00    (#    540:10  Unique         3.44, 4.76 A)
 &rst
  ixpk= 540, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1918,1919,
 &end
#
#    8 PRO  HD+           7 MET  HN          5.00    (#    541:10  Unique         2.83, 3.78 A)
 &rst
  ixpk= 541, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 135, 136,
 &end
#
#    7 MET  HG+           7 MET  HN          4.00    (#    542:10  Unique         1.92, 3.20 A)
 &rst
  ixpk= 542, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 124, 125,
 &end
#
#    6 PRO  HB+           7 MET  HN          4.00    (#    543:10  Unique         2.08, 3.86 A)
 &rst
  ixpk= 543, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 110, 111,
 &end
#
#    5 GLN  HB-           7 MET  HN          5.00    (#    544:10  Unique         3.16, 5.70 A)
 &rst
  ixpk= 544, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  90,  91,
 &end
#
#    7 MET  ME            7 MET  HN          4.00    (#    545:10  Unique         2.09, 3.50 A)
 &rst
  ixpk= 545, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 128, 129, 130,
 &end
#
#   60 ASP  HN           59 GLN  HN          4.00    (#    547:10  Unique         2.24, 2.72 A)
 &rst
  ixpk= 547, nxpk= 10, iat= 979, 962, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   57 LYS  HN           59 GLN  HN          5.00    (#    548:10  Unique         3.72, 3.88 A)
 &rst
  ixpk= 548, nxpk= 10, iat= 919, 962, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 TYR  HN           59 GLN  HN          3.00    (#    549:10  Unique         1.92, 2.64 A)
 &rst
  ixpk= 549, nxpk= 10, iat= 941, 962, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   58 TYR  HA           59 GLN  HN          4.00    (#    553:10  Unique         2.82, 2.94 A)
 &rst
  ixpk= 553, nxpk= 10, iat= 943, 962, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 ASP  HA           59 GLN  HN          4.00    (#    555:10  Unique         3.25, 3.48 A)
 &rst
  ixpk= 555, nxpk= 10, iat= 909, 962, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GLN  HA           59 GLN  HN          3.00    (#    556:10  Unique         2.30, 2.72 A)
 &rst
  ixpk= 556, nxpk= 10, iat= 964, 962, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   57 LYS  HA           59 GLN  HN          5.00    (#    557:10  Unique         3.93, 4.53 A)
 &rst
  ixpk= 557, nxpk= 10, iat= 921, 962, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 TYR  HB-          59 GLN  HN          5.00    (#    558:10  Unique         2.74, 4.32 A)
 &rst
  ixpk= 558, nxpk= 10, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 945, 946,
 &end
#
#   59 GLN  HG-          59 GLN  HN          4.00    (#    559:10  Unique         1.79, 3.82 A)
 &rst
  ixpk= 559, nxpk= 10, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 969, 970,
 &end
#
#    0 AMB  10-2:560     59 GLN  HN          3.00    (#    560:10  Single Ambig)
 &rst
  ixpk= 560, nxpk= 10, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 969, 970, 966, 967,
 &end
#
#   59 GLN  HB-          59 GLN  HN          3.00    (#    561:10  Unique         2.02, 2.83 A)
 &rst
  ixpk= 561, nxpk= 10, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 966, 967,
 &end
#
#   57 LYS  HB+          59 GLN  HN          5.00    (#    562:10  Unique         4.24, 5.01 A)
 &rst
  ixpk= 562, nxpk= 10, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 923, 924,
 &end
#
#   72 SER  HN           71 ARG  HN          3.00    (#    564:10  Unique         2.31, 2.47 A)
 &rst
  ixpk= 564, nxpk= 10, iat=1171,1147, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:567     71 ARG  HN          5.00    (#    567:10  Single Ambig)
 &rst
  ixpk= 567, nxpk= 10, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1173,1223,
 &end
#
#   71 ARG  HA           71 ARG  HN          3.00    (#    568:10  Unique         2.75, 2.83 A)
 &rst
  ixpk= 568, nxpk= 10, iat=1149,1147, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:569     71 ARG  HN          4.00    (#    569:10  Single Ambig)
 &rst
  ixpk= 569, nxpk= 10, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1213,1214,1157,1158,
 &end
#
#   75 ASP  HB-          71 ARG  HN          4.00    (#    570:10  Unique         2.69, 3.55 A)
 &rst
  ixpk= 570, nxpk= 10, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1213,1214,
 &end
#
#   71 ARG  HB-          71 ARG  HN          3.00    (#    571:10  Unique         2.05, 2.60 A)
 &rst
  ixpk= 571, nxpk= 10, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1151,1152,
 &end
#
#   71 ARG  HB+          71 ARG  HN          3.00    (#    572:10  Unique         2.05, 2.60 A)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1151,1152,
 &end
#
#   70 PRO  HB-          71 ARG  HN          4.00    (#    573:10  Unique         4.41, 4.56 A)
 &rst
  ixpk= 573, nxpk= 10, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1140,1141,
 &end
#
#   71 ARG  HG-          71 ARG  HN          4.00    (#    574:10  Unique         3.72, 4.23 A)
 &rst
  ixpk= 574, nxpk= 10, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1154,1155,
 &end
#
#    0 AMB  10-2:575    115 TYR  HN          5.00    (#    575:10  Single Ambig)
 &rst
  ixpk= 575, nxpk= 10, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 563,1832,
 &end
#
#   34 ILE  HB          115 TYR  HN          4.00    (#    579:10  Unique         3.74, 3.93 A)
 &rst
  ixpk= 579, nxpk= 10, iat= 548,1811, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:580    115 TYR  HN          5.00    (#    580:10  Single Ambig)
 &rst
  ixpk= 580, nxpk= 10, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844, 557, 558, 559,1949,1950,1951,1953,1954,
      1955,
 &end
#
#   34 ILE  HN          115 TYR  HN          4.00    (#    581:10  Unique         2.63, 3.10 A)
 &rst
  ixpk= 581, nxpk= 10, iat= 544,1811, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 HIS  HA          115 TYR  HN          4.00    (#    584:10  Unique         2.78, 2.94 A)
 &rst
  ixpk= 584, nxpk= 10, iat= 565,1811, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:585    115 TYR  HN          5.00    (#    585:10  Single Ambig)
 &rst
  ixpk= 585, nxpk= 10, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 527, 546,
 &end
#
#  114 TYR  HA          115 TYR  HN          3.00    (#    586:10  Unique         2.19, 2.20 A)
 &rst
  ixpk= 586, nxpk= 10, iat=1792,1811, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  115 TYR  HA          115 TYR  HN          4.00    (#    587:10  Unique         2.93, 2.94 A)
 &rst
  ixpk= 587, nxpk= 10, iat=1813,1811, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  115 TYR  HB-         115 TYR  HN          4.00    (#    588:10  Unique         2.18, 2.88 A)
 &rst
  ixpk= 588, nxpk= 10, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1815,1816,
 &end
#
#  115 TYR  HB+         115 TYR  HN          4.00    (#    589:10  Unique         2.18, 2.88 A)
 &rst
  ixpk= 589, nxpk= 10, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1815,1816,
 &end
#
#    0 AMB  10-2:590    115 TYR  HN          4.00    (#    590:10  Single Ambig)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1794,1795,2004,2005,
 &end
#
#  114 TYR  HB+         115 TYR  HN          5.00    (#    591:10  Unique         3.56, 3.94 A)
 &rst
  ixpk= 591, nxpk= 10, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1794,1795,
 &end
#
#   33 LEU  MDY         115 TYR  HN          4.00    (#    592:10  Unique         2.45, 4.75 A)
 &rst
  ixpk= 592, nxpk= 10, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#    0 AMB  10-2:593    115 TYR  HN          4.00    (#    593:10  Single Ambig)
 &rst
  ixpk= 593, nxpk= 10, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2144,2145,2146,2148,2149,2150,1949,1950,1951,1953,
      1954,1955,
 &end
#
#  102 LEU  HN          103 THR  HN          3.00    (#    598:10  Unique         2.52, 2.63 A)
 &rst
  ixpk= 598, nxpk= 10, iat=1610,1629, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  104 ASP  HN          103 THR  HN          4.00    (#    599:10  Unique         2.62, 2.72 A)
 &rst
  ixpk= 599, nxpk= 10, iat=1643,1629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:602    103 THR  HN          4.00    (#    602:10  Single Ambig)
 &rst
  ixpk= 602, nxpk= 10, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1585,1612,
 &end
#
#  103 THR  HA          103 THR  HN          3.00    (#    603:10  Unique         2.75, 2.79 A)
 &rst
  ixpk= 603, nxpk= 10, iat=1631,1629, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  103 THR  HB          103 THR  HN          4.00    (#    604:10  Unique         2.09, 2.77 A)
 &rst
  ixpk= 604, nxpk= 10, iat=1633,1629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  102 LEU  HB-         103 THR  HN          4.00    (#    605:10  Unique         2.65, 3.60 A)
 &rst
  ixpk= 605, nxpk= 10, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1614,1615,
 &end
#
#    0 AMB  10-2:606    103 THR  HN          4.00    (#    606:10  Single Ambig)
 &rst
  ixpk= 606, nxpk= 10, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1635,1636,1637,1614,1615,
 &end
#
#  141 ASN  HN          140 VAL  HN          3.00    (#    608:10  Unique         2.21, 2.54 A)
 &rst
  ixpk= 608, nxpk= 10, iat=2231,2215, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  139 ARG  HN          140 VAL  HN          3.00    (#    609:10  Unique         2.54, 2.77 A)
 &rst
  ixpk= 609, nxpk= 10, iat=2191,2215, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:610    140 VAL  HN          4.00    (#    610:10  Single Ambig)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2245,2169,
 &end
#
#  138 LYS  HA          140 VAL  HN          5.00    (#    611:10  Unique         3.63, 3.96 A)
 &rst
  ixpk= 611, nxpk= 10, iat=2171,2215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  139 ARG  HA          140 VAL  HN          4.00    (#    612:10  Unique         3.49, 3.56 A)
 &rst
  ixpk= 612, nxpk= 10, iat=2193,2215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  136 LEU  HA          140 VAL  HN          5.00    (#    613:10  Unique         3.49, 3.90 A)
 &rst
  ixpk= 613, nxpk= 10, iat=2137,2215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  137 GLU  HA          140 VAL  HN          4.00    (#    614:10  Unique         3.43, 3.82 A)
 &rst
  ixpk= 614, nxpk= 10, iat=2156,2215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  140 VAL  HA          140 VAL  HN          3.00    (#    615:10  Unique         2.77, 2.84 A)
 &rst
  ixpk= 615, nxpk= 10, iat=2217,2215, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  140 VAL  HB          140 VAL  HN          3.00    (#    616:10  Unique         1.96, 2.12 A)
 &rst
  ixpk= 616, nxpk= 10, iat=2219,2215, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  139 ARG  HB-         140 VAL  HN          3.00    (#    617:10  Unique         2.59, 3.30 A)
 &rst
  ixpk= 617, nxpk= 10, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2195,2196,
 &end
#
#  139 ARG  HB+         140 VAL  HN          4.00    (#    618:10  Unique         2.59, 3.30 A)
 &rst
  ixpk= 618, nxpk= 10, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2195,2196,
 &end
#
#    0 AMB  10-2:619    140 VAL  HN          4.00    (#    619:10  Single Ambig)
 &rst
  ixpk= 619, nxpk= 10, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#  140 VAL  MGX         140 VAL  HN          3.00    (#    620:10  Unique         2.18, 3.92 A)
 &rst
  ixpk= 620, nxpk= 10, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#   62 LEU  MDY         140 VAL  HN          5.00    (#    621:10  Unique         5.84, 6.98 A)
 &rst
  ixpk= 621, nxpk= 10, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1017,1018,1019,1021,1022,1023,
 &end
#
#  140 VAL  MGY         140 VAL  HN          3.00    (#    622:10  Unique         2.18, 3.92 A)
 &rst
  ixpk= 622, nxpk= 10, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#  136 LEU  MDY         140 VAL  HN          5.00    (#    623:10  Unique         2.73, 4.90 A)
 &rst
  ixpk= 623, nxpk= 10, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  10-2:624    140 VAL  HN          5.00    (#    624:10  Single Ambig)
 &rst
  ixpk= 624, nxpk= 10, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2235,2236,2201,2202,
 &end
#
#    0 AMB  10-2:625    140 VAL  HN          5.00    (#    625:10  Single Ambig)
 &rst
  ixpk= 625, nxpk= 10, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=2249,2250,2273,2158,2159,
 &end
#
#  142 ARG  HN          144 LEU  HN          5.00    (#    626:10  Unique         3.51, 3.75 A)
 &rst
  ixpk= 626, nxpk= 10, iat=2245,2285, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  145 ALA  HN          144 LEU  HN          3.00    (#    627:10  Unique         2.28, 2.53 A)
 &rst
  ixpk= 627, nxpk= 10, iat=2304,2285, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  143 VAL  HN          144 LEU  HN          3.00    (#    628:10  Unique         2.28, 2.49 A)
 &rst
  ixpk= 628, nxpk= 10, iat=2269,2285, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  141 ASN  HA          144 LEU  HN          4.00    (#    629:10  Unique         3.17, 3.38 A)
 &rst
  ixpk= 629, nxpk= 10, iat=2233,2285, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:630    144 LEU  HN          3.00    (#    630:10  Single Ambig)
 &rst
  ixpk= 630, nxpk= 10, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2287,2247,
 &end
#
#  143 VAL  HA          144 LEU  HN          4.00    (#    631:10  Unique         3.45, 3.53 A)
 &rst
  ixpk= 631, nxpk= 10, iat=2271,2285, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  140 VAL  HA          144 LEU  HN          5.00    (#    632:10  Unique         4.17, 4.72 A)
 &rst
  ixpk= 632, nxpk= 10, iat=2217,2285, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:633    144 LEU  HN          4.00    (#    633:10  Single Ambig)
 &rst
  ixpk= 633, nxpk= 10, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2273,2249,2250,
 &end
#
#  144 LEU  HB+         144 LEU  HN          3.00    (#    634:10  Unique         2.36, 3.02 A)
 &rst
  ixpk= 634, nxpk= 10, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2289,2290,
 &end
#
#  144 LEU  HG          144 LEU  HN          3.00    (#    636:10  Unique         2.05, 2.19 A)
 &rst
  ixpk= 636, nxpk= 10, iat=2292,2285, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  144 LEU  HB-         144 LEU  HN          3.00    (#    637:10  Unique         2.36, 3.02 A)
 &rst
  ixpk= 637, nxpk= 10, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2289,2290,
 &end
#
#    0 AMB  10-2:638    144 LEU  HN          3.00    (#    638:10  Single Ambig)
 &rst
  ixpk= 638, nxpk= 10, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#  144 LEU  MDX         144 LEU  HN          4.00    (#    639:10  Unique         3.44, 4.24 A)
 &rst
  ixpk= 639, nxpk= 10, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#  144 LEU  MDY         144 LEU  HN          4.00    (#    640:10  Unique         3.44, 4.24 A)
 &rst
  ixpk= 640, nxpk= 10, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  10-2:642    104 ASP  HN          4.00    (#    642:10  Single Ambig)
 &rst
  ixpk= 642, nxpk= 10, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1635,1636,1637,1614,1615,
 &end
#
#  103 THR  HN          104 ASP  HN          4.00    (#    643:10  Unique         2.62, 2.72 A)
 &rst
  ixpk= 643, nxpk= 10, iat=1629,1643, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  105 ALA  HN          104 ASP  HN          3.00    (#    645:10  Unique         2.04, 2.15 A)
 &rst
  ixpk= 645, nxpk= 10, iat=1655,1643, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  104 ASP  HA          104 ASP  HN          3.00    (#    646:10  Unique         2.85, 2.88 A)
 &rst
  ixpk= 646, nxpk= 10, iat=1645,1643, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:647    104 ASP  HN          4.00    (#    647:10  Single Ambig)
 &rst
  ixpk= 647, nxpk= 10, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1602,1657,
 &end
#
#    0 AMB  10-2:648    104 ASP  HN          4.00    (#    648:10  Single Ambig)
 &rst
  ixpk= 648, nxpk= 10, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1631,1687,
 &end
#
#  104 ASP  HB-         104 ASP  HN          3.00    (#    649:10  Unique         2.18, 2.80 A)
 &rst
  ixpk= 649, nxpk= 10, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1647,1648,
 &end
#
#  104 ASP  HB+         104 ASP  HN          3.00    (#    650:10  Unique         2.18, 2.80 A)
 &rst
  ixpk= 650, nxpk= 10, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1647,1648,
 &end
#
#  137 GLU  HN          136 LEU  HN          3.00    (#    651:10  Unique         2.29, 2.69 A)
 &rst
  ixpk= 651, nxpk= 10, iat=2154,2135, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  133 MET  HA          136 LEU  HN          4.00    (#    655:10  Unique         2.84, 3.23 A)
 &rst
  ixpk= 655, nxpk= 10, iat=2081,2135, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  136 LEU  HA          136 LEU  HN          3.00    (#    656:10  Unique         2.70, 2.80 A)
 &rst
  ixpk= 656, nxpk= 10, iat=2137,2135, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  135 MET  HB-         136 LEU  HN          5.00    (#    657:10  Unique         2.43, 3.41 A)
 &rst
  ixpk= 657, nxpk= 10, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2122,2123,
 &end
#
#  136 LEU  HB+         136 LEU  HN          3.00    (#    659:10  Unique         2.10, 2.50 A)
 &rst
  ixpk= 659, nxpk= 10, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2139,2140,
 &end
#
#  136 LEU  MDX         136 LEU  HN          4.00    (#    660:10  Unique         3.51, 5.06 A)
 &rst
  ixpk= 660, nxpk= 10, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  136 LEU  MDY         136 LEU  HN          4.00    (#    661:10  Unique         3.51, 5.06 A)
 &rst
  ixpk= 661, nxpk= 10, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  135 MET  HB+         136 LEU  HN          5.00    (#    662:10  Unique         2.43, 3.41 A)
 &rst
  ixpk= 662, nxpk= 10, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2122,2123,
 &end
#
#   37 TRP  HD1          67 VAL  HN          4.00    (#    663:10  Unique         2.09, 3.17 A)
 &rst
  ixpk= 663, nxpk= 10, iat= 608,1083, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 PHE  HA           67 VAL  HN          3.00    (#    664:10  Unique         2.24, 2.48 A)
 &rst
  ixpk= 664, nxpk= 10, iat= 582,1083, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   67 VAL  HA           67 VAL  HN          4.00    (#    665:10  Unique         2.92, 2.93 A)
 &rst
  ixpk= 665, nxpk= 10, iat=1085,1083, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   66 ALA  HA           67 VAL  HN          3.00    (#    666:10  Unique         2.22, 2.37 A)
 &rst
  ixpk= 666, nxpk= 10, iat=1075,1083, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   66 ALA  MB           67 VAL  HN          4.00    (#    667:10  Unique         2.61, 3.55 A)
 &rst
  ixpk= 667, nxpk= 10, iat=  -1,1083, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1077,1078,1079,
 &end
#
#   34 ILE  QG2          67 VAL  HN          5.00    (#    668:10  Unique         3.71, 5.36 A)
 &rst
  ixpk= 668, nxpk= 10, iat=  -1,1083, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 550, 551, 552,
 &end
#
#   67 VAL  HB           67 VAL  HN          4.00    (#    669:10  Unique         2.45, 2.85 A)
 &rst
  ixpk= 669, nxpk= 10, iat=1087,1083, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 VAL  MGY          67 VAL  HN          4.00    (#    670:10  Unique         1.94, 4.05 A)
 &rst
  ixpk= 670, nxpk= 10, iat=  -1,1083, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   67 VAL  MGX          67 VAL  HN          3.00    (#    671:10  Unique         1.94, 4.05 A)
 &rst
  ixpk= 671, nxpk= 10, iat=  -1,1083, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   35 HIS  HD2          67 VAL  HN          5.00    (#    672:10  Unique         3.42, 4.05 A)
 &rst
  ixpk= 672, nxpk= 10, iat= 576,1083, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 THR  HB          104 ASP  HN          5.00    (#    675:10  Unique         3.36, 3.72 A)
 &rst
  ixpk= 675, nxpk= 10, iat=1633,1643, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 ARG  HN            5 GLN  HN          3.00    (#    677:10  Unique         1.77, 2.58 A)
 &rst
  ixpk= 677, nxpk= 10, iat=  62,  86, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  123 LEU  HN            5 GLN  HN          4.00    (#    678:10  Unique         2.75, 3.01 A)
 &rst
  ixpk= 678, nxpk= 10, iat=1940,  86, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  122 GLN  HA            5 GLN  HN          5.00    (#    681:10  Unique         4.56, 4.83 A)
 &rst
  ixpk= 681, nxpk= 10, iat=1925,  86, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 GLN  HA            5 GLN  HN          3.00    (#    682:10  Unique         2.78, 2.90 A)
 &rst
  ixpk= 682, nxpk= 10, iat=  88,  86, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    6 PRO  HD+           5 GLN  HN          5.00    (#    683:10  Unique         2.48, 3.88 A)
 &rst
  ixpk= 683, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 104, 105,
 &end
#
#    3 LEU  HA            5 GLN  HN          4.00    (#    684:10  Unique         2.95, 3.25 A)
 &rst
  ixpk= 684, nxpk= 10, iat=  45,  86, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    6 PRO  HD-           5 GLN  HN          5.00    (#    685:10  Unique         2.48, 3.88 A)
 &rst
  ixpk= 685, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 104, 105,
 &end
#
#    5 GLN  HG+           5 GLN  HN          3.00    (#    687:10  Unique         1.68, 3.00 A)
 &rst
  ixpk= 687, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  93,  94,
 &end
#
#    5 GLN  HB+           5 GLN  HN          3.00    (#    688:10  Unique         2.17, 3.24 A)
 &rst
  ixpk= 688, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  90,  91,
 &end
#
#    5 GLN  HB-           5 GLN  HN          3.00    (#    690:10  Unique         2.17, 3.24 A)
 &rst
  ixpk= 690, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  90,  91,
 &end
#
#  123 LEU  HB-           5 GLN  HN          3.00    (#    691:10  Unique         1.75, 2.20 A)
 &rst
  ixpk= 691, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1944,1945,
 &end
#
#    0 AMB  10-2:693      5 GLN  HN          5.00    (#    693:10  Single Ambig)
 &rst
  ixpk= 693, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  47,  48,  50,
 &end
#
#  123 LEU  HB+           5 GLN  HN          3.00    (#    694:10  Unique         1.75, 2.20 A)
 &rst
  ixpk= 694, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1944,1945,
 &end
#
#  123 LEU  HG            5 GLN  HN          4.00    (#    695:10  Unique         3.43, 3.91 A)
 &rst
  ixpk= 695, nxpk= 10, iat=1947,  86, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  123 LEU  MDX           5 GLN  HN          4.00    (#    696:10  Unique         2.18, 4.62 A)
 &rst
  ixpk= 696, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#    0 AMB  10-2:697      5 GLN  HN          5.00    (#    697:10  Single Ambig)
 &rst
  ixpk= 697, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=  69,  70,  15,  16,  17,
 &end
#
#  123 LEU  MDY           5 GLN  HN          5.00    (#    698:10  Unique         2.18, 4.62 A)
 &rst
  ixpk= 698, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#   49 PRO  HA           53 GLU  HN          5.00    (#    699:10  Unique         3.76, 3.98 A)
 &rst
  ixpk= 699, nxpk= 10, iat= 797, 848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:700     53 GLU  HN          4.00    (#    700:10  Single Ambig)
 &rst
  ixpk= 700, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 867, 868, 820,
 &end
#
#   54 PHE  HN           53 GLU  HN          3.00    (#    701:10  Unique         2.51, 2.64 A)
 &rst
  ixpk= 701, nxpk= 10, iat= 863, 848, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   52 ASN  HA           53 GLU  HN          4.00    (#    702:10  Unique         3.59, 3.61 A)
 &rst
  ixpk= 702, nxpk= 10, iat= 836, 848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:703      0 AMB  10-1:703    5.00    (#    703:10  Double Ambig)
 &rst
  ixpk= 703, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1253,1254,1431, 885, 788, 789,
 igr2=1240, 848,
 &end
#
#   77 ASP  HB+          77 ASP  HN          3.00    (#    704:10  Unique         2.01, 2.65 A)
 &rst
  ixpk= 704, nxpk= 10, iat=  -1,1240, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1244,1245,
 &end
#
#   77 ASP  HB-          77 ASP  HN          3.00    (#    705:10  Unique         2.01, 2.65 A)
 &rst
  ixpk= 705, nxpk= 10, iat=  -1,1240, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1244,1245,
 &end
#
#    0 AMB  10-2:706     77 ASP  HN          4.00    (#    706:10  Single Ambig)
 &rst
  ixpk= 706, nxpk= 10, iat=  -1,1240, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1225,1226,1277,1278,
 &end
#
#    0 AMB  10-2:707     77 ASP  HN          4.00    (#    707:10  Single Ambig)
 &rst
  ixpk= 707, nxpk= 10, iat=  -1,1240, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1228,1283,1284,
 &end
#
#    0 AMB  10-2:708      0 AMB  10-1:708    5.00    (#    708:10  Double Ambig)
 &rst
  ixpk= 708, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1280,1281, 929, 930,2090,2091,2092, 645, 646,
 igr2=1240, 848,
 &end
#
#   76 LEU  MDY          77 ASP  HN          5.00    (#    710:10  Unique         2.21, 5.03 A)
 &rst
  ixpk= 710, nxpk= 10, iat=  -1,1240, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1230,1231,1232,1234,1235,1236,
 &end
#
#   76 LEU  MDX          77 ASP  HN          5.00    (#    711:10  Unique         2.21, 5.03 A)
 &rst
  ixpk= 711, nxpk= 10, iat=  -1,1240, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1230,1231,1232,1234,1235,1236,
 &end
#
#   76 LEU  HN           77 ASP  HN          3.00    (#    712:10  Unique         1.95, 2.60 A)
 &rst
  ixpk= 712, nxpk= 10, iat=1221,1240, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:714     77 ASP  HN          4.00    (#    714:10  Single Ambig)
 &rst
  ixpk= 714, nxpk= 10, iat=  -1,1240, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1225,1226,1280,1281,
 &end
#
#  135 MET  HN          136 LEU  HN          3.00    (#    715:10  Unique         2.15, 2.48 A)
 &rst
  ixpk= 715, nxpk= 10, iat=2118,2135, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  135 MET  HA          136 LEU  HN          4.00    (#    716:10  Unique         3.38, 3.56 A)
 &rst
  ixpk= 716, nxpk= 10, iat=2120,2135, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  135 MET  ME          136 LEU  HN          3.00    (#    717:10  Unique         2.58, 3.81 A)
 &rst
  ixpk= 717, nxpk= 10, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2129,2130,2131,
 &end
#
#  136 LEU  HB-         136 LEU  HN          3.00    (#    719:10  Unique         2.10, 2.50 A)
 &rst
  ixpk= 719, nxpk= 10, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2139,2140,
 &end
#
#   52 ASN  HN           54 PHE  HN          5.00    (#    724:10  Unique         4.04, 4.14 A)
 &rst
  ixpk= 724, nxpk= 10, iat= 834, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 ARG  HN           54 PHE  HN          3.00    (#    725:10  Unique         2.66, 2.79 A)
 &rst
  ixpk= 725, nxpk= 10, iat= 883, 863, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   56 ASP  HN           54 PHE  HN          5.00    (#    726:10  Unique         4.36, 4.64 A)
 &rst
  ixpk= 726, nxpk= 10, iat= 907, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 GLU  HN           54 PHE  HN          3.00    (#    727:10  Unique         2.51, 2.64 A)
 &rst
  ixpk= 727, nxpk= 10, iat= 848, 863, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   54 PHE  HD           54 PHE  HN          4.00    (#    728:10  Unique         2.80, 4.44 A)
 &rst
  ixpk= 728, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 871, 879,
 &end
#
#   54 PHE  HA           54 PHE  HN          3.00    (#    729:10  Unique         2.73, 2.76 A)
 &rst
  ixpk= 729, nxpk= 10, iat= 865, 863, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   52 ASN  HA           54 PHE  HN          5.00    (#    730:10  Unique         4.69, 4.81 A)
 &rst
  ixpk= 730, nxpk= 10, iat= 836, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:731     54 PHE  HN          4.00    (#    731:10  Single Ambig)
 &rst
  ixpk= 731, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 803, 850,
 &end
#
#   54 PHE  HB-          54 PHE  HN          3.00    (#    732:10  Unique         1.90, 2.39 A)
 &rst
  ixpk= 732, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 867, 868,
 &end
#
#   54 PHE  HB+          54 PHE  HN          3.00    (#    733:10  Unique         1.90, 2.39 A)
 &rst
  ixpk= 733, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 867, 868,
 &end
#
#   53 GLU  HG+          54 PHE  HN          5.00    (#    734:10  Unique         1.86, 2.23 A)
 &rst
  ixpk= 734, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 855, 856,
 &end
#
#   53 GLU  HB-          54 PHE  HN          4.00    (#    735:10  Unique         2.79, 3.74 A)
 &rst
  ixpk= 735, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 852, 853,
 &end
#
#   53 GLU  HB+          54 PHE  HN          4.00    (#    736:10  Unique         2.79, 3.74 A)
 &rst
  ixpk= 736, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 852, 853,
 &end
#
#    0 AMB  10-2:737     54 PHE  HN          5.00    (#    737:10  Single Ambig)
 &rst
  ixpk= 737, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 923, 924, 887, 888,
 &end
#
#    0 AMB  10-2:738     54 PHE  HN          5.00    (#    738:10  Single Ambig)
 &rst
  ixpk= 738, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=2090,2091,2092, 929, 930, 923, 924,
 &end
#
#   52 ASN  HN           53 GLU  HN          3.00    (#    739:10  Unique         2.45, 2.54 A)
 &rst
  ixpk= 739, nxpk= 10, iat= 834, 848, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:740     53 GLU  HN          3.00    (#    740:10  Single Ambig)
 &rst
  ixpk= 740, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 850, 803,
 &end
#
#   53 GLU  HG+          53 GLU  HN          4.00    (#    741:10  Unique         1.80, 2.99 A)
 &rst
  ixpk= 741, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 855, 856,
 &end
#
#   53 GLU  HB-          53 GLU  HN          3.00    (#    742:10  Unique         2.04, 2.94 A)
 &rst
  ixpk= 742, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 852, 853,
 &end
#
#   53 GLU  HB+          53 GLU  HN          3.00    (#    743:10  Unique         2.04, 2.94 A)
 &rst
  ixpk= 743, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 852, 853,
 &end
#
#   30 LYS  HN           29 GLU  HN          3.00    (#    744:10  Unique         1.74, 1.96 A)
 &rst
  ixpk= 744, nxpk= 10, iat= 475, 460, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:748     29 GLU  HN          3.00    (#    748:10  Single Ambig)
 &rst
  ixpk= 748, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 462, 455, 456,
 &end
#
#   28 GLY  HA+          29 GLU  HN          4.00    (#    749:10  Unique         2.30, 3.27 A)
 &rst
  ixpk= 749, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 455, 456,
 &end
#
#   29 GLU  HG-          29 GLU  HN          5.00    (#    750:10  Unique         2.66, 4.30 A)
 &rst
  ixpk= 750, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 467, 468,
 &end
#
#   29 GLU  HG+          29 GLU  HN          5.00    (#    751:10  Unique         2.66, 4.30 A)
 &rst
  ixpk= 751, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 467, 468,
 &end
#
#   29 GLU  HB+          29 GLU  HN          4.00    (#    752:10  Unique         2.64, 3.49 A)
 &rst
  ixpk= 752, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 464, 465,
 &end
#
#   29 GLU  HB-          29 GLU  HN          4.00    (#    753:10  Unique         2.64, 3.49 A)
 &rst
  ixpk= 753, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 464, 465,
 &end
#
#    0 AMB  10-2:754     29 GLU  HN          4.00    (#    754:10  Single Ambig)
 &rst
  ixpk= 754, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1884,1885, 479, 480,
 &end
#
#    0 AMB  10-2:755     29 GLU  HN          5.00    (#    755:10  Single Ambig)
 &rst
  ixpk= 755, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1884,1885, 482, 483, 485, 486,
 &end
#
#   27 ILE  HA           29 GLU  HN          4.00    (#    756:10  Unique         3.36, 3.71 A)
 &rst
  ixpk= 756, nxpk= 10, iat= 436, 460, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 HIS  HN           87 GLU  HN          3.00    (#    758:10  Unique         2.00, 2.24 A)
 &rst
  ixpk= 758, nxpk= 10, iat=1400,1385, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   87 GLU  HA           87 GLU  HN          3.00    (#    759:10  Unique         2.84, 2.89 A)
 &rst
  ixpk= 759, nxpk= 10, iat=1387,1385, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   87 GLU  HG+          87 GLU  HN          3.00    (#    760:10  Unique         2.85, 3.55 A)
 &rst
  ixpk= 760, nxpk= 10, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1392,1393,
 &end
#
#   87 GLU  HB-          87 GLU  HN          3.00    (#    761:10  Unique         2.12, 2.90 A)
 &rst
  ixpk= 761, nxpk= 10, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1389,1390,
 &end
#
#   86 ALA  MB           87 GLU  HN          3.00    (#    762:10  Unique         2.96, 3.84 A)
 &rst
  ixpk= 762, nxpk= 10, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1379,1380,1381,
 &end
#
#   83 GLU  HA           87 GLU  HN          5.00    (#    763:10  Unique         3.99, 4.20 A)
 &rst
  ixpk= 763, nxpk= 10, iat=1338,1385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 ILE  HB           94 ILE  HN          4.00    (#    767:10  Unique         2.41, 2.59 A)
 &rst
  ixpk= 767, nxpk= 10, iat=1497,1493, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:768     94 ILE  HN          4.00    (#    768:10  Single Ambig)
 &rst
  ixpk= 768, nxpk= 10, iat=  -1,1493, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 309, 310, 297, 298,
 &end
#
#    0 AMB  10-2:770     14 LYS  HN          4.00    (#    770:10  Single Ambig)
 &rst
  ixpk= 770, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1560, 240,
 &end
#
#   14 LYS  HB-          14 LYS  HN          4.00    (#    773:10  Unique         2.39, 3.24 A)
 &rst
  ixpk= 773, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 222, 223,
 &end
#
#   14 LYS  HA           14 LYS  HN          5.00    (#    774:10  Unique         2.21, 2.74 A)
 &rst
  ixpk= 774, nxpk= 10, iat= 220, 218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 LEU  MDY          82 LYS  HN          5.00    (#    775:10  Unique         2.74, 4.59 A)
 &rst
  ixpk= 775, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#   79 GLY  HN           82 LYS  HN          5.00    (#    776:10  Unique         4.75, 4.87 A)
 &rst
  ixpk= 776, nxpk= 10, iat=1266,1314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 ILE  HN           82 LYS  HN          4.00    (#    778:10  Unique         2.74, 2.95 A)
 &rst
  ixpk= 778, nxpk= 10, iat=1295,1314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 LYS  HN           82 LYS  HN          5.00    (#    779:10  Unique         3.66, 4.02 A)
 &rst
  ixpk= 779, nxpk= 10, iat=1273,1314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 LYS  HA           82 LYS  HN          3.00    (#    780:10  Unique         2.68, 2.74 A)
 &rst
  ixpk= 780, nxpk= 10, iat=1316,1314, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   81 ILE  HA           82 LYS  HN          5.00    (#    781:10  Unique         3.56, 3.61 A)
 &rst
  ixpk= 781, nxpk= 10, iat=1297,1314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 LYS  HB+          82 LYS  HN          3.00    (#    782:10  Unique         2.01, 2.59 A)
 &rst
  ixpk= 782, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1318,1319,
 &end
#
#   82 LYS  HB-          82 LYS  HN          3.00    (#    783:10  Unique         2.01, 2.59 A)
 &rst
  ixpk= 783, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1318,1319,
 &end
#
#    0 AMB  10-2:784     82 LYS  HN          5.00    (#    784:10  Single Ambig)
 &rst
  ixpk= 784, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1277,1278,1256,1257,
 &end
#
#   82 LYS  HD+          82 LYS  HN          4.00    (#    785:10  Unique         3.10, 4.44 A)
 &rst
  ixpk= 785, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1324,1325,
 &end
#
#    0 AMB  10-2:787     82 LYS  HN          3.00    (#    787:10  Single Ambig)
 &rst
  ixpk= 787, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1299,1321,1322,
 &end
#
#   81 ILE  HG1+         82 LYS  HN          5.00    (#    788:10  Unique         4.20, 4.88 A)
 &rst
  ixpk= 788, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1305,1306,
 &end
#
#   17 LEU  MDX          82 LYS  HN          4.00    (#    789:10  Unique         2.74, 4.59 A)
 &rst
  ixpk= 789, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#   81 ILE  QG2          82 LYS  HN          4.00    (#    790:10  Unique         2.97, 4.12 A)
 &rst
  ixpk= 790, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1301,1302,1303,
 &end
#
#   81 ILE  QD1          82 LYS  HN          5.00    (#    791:10  Unique         4.56, 5.33 A)
 &rst
  ixpk= 791, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1308,1309,1310,
 &end
#
#   85 ALA  HN           87 GLU  HN          5.00    (#    793:10  Unique         3.57, 3.80 A)
 &rst
  ixpk= 793, nxpk= 10, iat=1365,1385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:794     87 GLU  HN          4.00    (#    794:10  Single Ambig)
 &rst
  ixpk= 794, nxpk= 10, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1353,1377,
 &end
#
#   90 ILE  HG1-         87 GLU  HN          5.00    (#    796:10  Unique         4.53, 5.72 A)
 &rst
  ixpk= 796, nxpk= 10, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1439,1440,
 &end
#
#  136 LEU  HN          135 MET  HN          4.00    (#    797:10  Unique         2.15, 2.48 A)
 &rst
  ixpk= 797, nxpk= 10, iat=2135,2118, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  135 MET  HA          135 MET  HN          3.00    (#    800:10  Unique         2.65, 2.82 A)
 &rst
  ixpk= 800, nxpk= 10, iat=2120,2118, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  135 MET  HB-         135 MET  HN          5.00    (#    801:10  Unique         2.20, 2.65 A)
 &rst
  ixpk= 801, nxpk= 10, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2122,2123,
 &end
#
#    0 AMB  10-2:802    135 MET  HN          4.00    (#    802:10  Single Ambig)
 &rst
  ixpk= 802, nxpk= 10, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=2129,2130,2131,2158,2159,
 &end
#
#    0 AMB  10-2:805     82 LYS  HN          4.00    (#    805:10  Single Ambig)
 &rst
  ixpk= 805, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1259,1260,1340,1341,
 &end
#
#  123 LEU  HN          122 GLN  HN          5.00    (#    807:10  Unique         4.20, 4.40 A)
 &rst
  ixpk= 807, nxpk= 10, iat=1940,1923, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:808    122 GLN  HN          3.00    (#    808:10  Single Ambig)
 &rst
  ixpk= 808, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1916,1868,
 &end
#
#  120 THR  HN          122 GLN  HN          4.00    (#    809:10  Unique         3.25, 3.51 A)
 &rst
  ixpk= 809, nxpk= 10, iat=1902,1923, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  122 GLN  HA          122 GLN  HN          3.00    (#    812:10  Unique         2.82, 2.89 A)
 &rst
  ixpk= 812, nxpk= 10, iat=1925,1923, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:814    122 GLN  HN          5.00    (#    814:10  Single Ambig)
 &rst
  ixpk= 814, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1942,  64,
 &end
#
#    0 AMB  10-2:815      0 AMB  10-1:815    4.00    (#    815:10  Double Ambig)
 &rst
  ixpk= 815, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1918,1919,1633,
 igr2=1923,1685,
 &end
#
#  117 PHE  HB-         122 GLN  HN          5.00    (#    816:10  Unique         2.66, 3.97 A)
 &rst
  ixpk= 816, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1852,1853,
 &end
#
#  122 GLN  HG-         122 GLN  HN          3.00    (#    817:10  Unique         2.39, 3.35 A)
 &rst
  ixpk= 817, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1930,1931,
 &end
#
#    0 AMB  10-2:818    122 GLN  HN          3.00    (#    818:10  Single Ambig)
 &rst
  ixpk= 818, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1927,1928,1930,1931,
 &end
#
#  122 GLN  HB+         122 GLN  HN          3.00    (#    819:10  Unique         2.16, 3.08 A)
 &rst
  ixpk= 819, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1927,1928,
 &end
#
#    0 AMB  10-2:820      0 AMB  10-1:820    5.00    (#    820:10  Double Ambig)
 &rst
  ixpk= 820, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 128, 129, 130,1617,
 igr2=1923,1685,
 &end
#
#  120 THR  MG2         122 GLN  HN          5.00    (#    821:10  Unique         1.92, 3.95 A)
 &rst
  ixpk= 821, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1908,1909,1910,
 &end
#
#  117 PHE  HA          122 GLN  HN          5.00    (#    822:10  Unique         3.40, 4.07 A)
 &rst
  ixpk= 822, nxpk= 10, iat=1850,1923, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 THR  HN           86 ALA  HN          5.00    (#    823:10  Unique         3.57, 4.05 A)
 &rst
  ixpk= 823, nxpk= 10, iat=1351,1375, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 THR  HB           86 ALA  HN          5.00    (#    824:10  Unique         4.70, 4.98 A)
 &rst
  ixpk= 824, nxpk= 10, iat=1355,1375, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 HIS  HN           86 ALA  HN          5.00    (#    825:10  Unique         3.61, 4.00 A)
 &rst
  ixpk= 825, nxpk= 10, iat=1400,1375, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:826     86 ALA  HN          5.00    (#    826:10  Single Ambig)
 &rst
  ixpk= 826, nxpk= 10, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1389,1390,1340,1341,
 &end
#
#   85 ALA  HN           86 ALA  HN          3.00    (#    827:10  Unique         2.25, 2.51 A)
 &rst
  ixpk= 827, nxpk= 10, iat=1365,1375, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   86 ALA  HA           86 ALA  HN          3.00    (#    829:10  Unique         2.68, 2.81 A)
 &rst
  ixpk= 829, nxpk= 10, iat=1377,1375, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   83 GLU  HA           86 ALA  HN          4.00    (#    830:10  Unique         2.91, 3.25 A)
 &rst
  ixpk= 830, nxpk= 10, iat=1338,1375, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:831     86 ALA  HN          4.00    (#    831:10  Single Ambig)
 &rst
  ixpk= 831, nxpk= 10, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1316,1367,
 &end
#
#   85 ALA  MB           86 ALA  HN          3.00    (#    832:10  Unique         2.32, 3.56 A)
 &rst
  ixpk= 832, nxpk= 10, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1369,1370,1371,
 &end
#
#   86 ALA  MB           86 ALA  HN          3.00    (#    833:10  Unique         2.21, 2.82 A)
 &rst
  ixpk= 833, nxpk= 10, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1379,1380,1381,
 &end
#
#  128 ALA  HA          127 GLN  HN          5.00    (#    837:10  Unique         4.59, 4.87 A)
 &rst
  ixpk= 837, nxpk= 10, iat=2039,2020, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  114 TYR  HB+         127 GLN  HN          5.00    (#    838:10  Unique         2.94, 4.20 A)
 &rst
  ixpk= 838, nxpk= 10, iat=  -1,2020, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1794,1795,
 &end
#
#  135 MET  HB+         135 MET  HN          4.00    (#    839:10  Unique         2.20, 2.65 A)
 &rst
  ixpk= 839, nxpk= 10, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2122,2123,
 &end
#
#   50 GLN  HE2-        135 MET  HN          5.00    (#    840:10  Unique         4.48, 5.48 A)
 &rst
  ixpk= 840, nxpk= 10, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 813, 814,
 &end
#
#  125 HIS  HD2         127 GLN  HN          5.00    (#    841:10  Unique         2.83, 3.37 A)
 &rst
  ixpk= 841, nxpk= 10, iat=1996,2020, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  144 LEU  HN          145 ALA  HN          3.00    (#    843:10  Unique         2.28, 2.53 A)
 &rst
  ixpk= 843, nxpk= 10, iat=2285,2304, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  145 ALA  HA          145 ALA  HN          3.00    (#    844:10  Unique         2.83, 2.86 A)
 &rst
  ixpk= 844, nxpk= 10, iat=2306,2304, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:845    145 ALA  HN          3.00    (#    845:10  Single Ambig)
 &rst
  ixpk= 845, nxpk= 10, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2247,2287,
 &end
#
#  143 VAL  HA          145 ALA  HN          5.00    (#    846:10  Unique         4.16, 4.29 A)
 &rst
  ixpk= 846, nxpk= 10, iat=2271,2304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  144 LEU  HB+         145 ALA  HN          3.00    (#    848:10  Unique         2.59, 3.31 A)
 &rst
  ixpk= 848, nxpk= 10, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2289,2290,
 &end
#
#  144 LEU  HG          145 ALA  HN          5.00    (#    850:10  Unique         4.18, 4.32 A)
 &rst
  ixpk= 850, nxpk= 10, iat=2292,2304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:851    145 ALA  HN          3.00    (#    851:10  Single Ambig)
 &rst
  ixpk= 851, nxpk= 10, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=2308,2309,2310,2289,2290,
 &end
#
#    0 AMB  10-2:852    145 ALA  HN          5.00    (#    852:10  Single Ambig)
 &rst
  ixpk= 852, nxpk= 10, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#  144 LEU  MDX         145 ALA  HN          5.00    (#    853:10  Unique         4.46, 5.69 A)
 &rst
  ixpk= 853, nxpk= 10, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#  144 LEU  MDY         145 ALA  HN          4.00    (#    855:10  Unique         4.46, 5.69 A)
 &rst
  ixpk= 855, nxpk= 10, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#   47 ALA  MB           48 MET  HN          4.00    (#    856:10  Unique         2.99, 3.79 A)
 &rst
  ixpk= 856, nxpk= 10, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 764, 765, 766,
 &end
#
#   47 ALA  HA           48 MET  HN          4.00    (#    857:10  Unique         3.44, 3.51 A)
 &rst
  ixpk= 857, nxpk= 10, iat= 762, 770, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 MET  HA           48 MET  HN          3.00    (#    858:10  Unique         2.65, 2.70 A)
 &rst
  ixpk= 858, nxpk= 10, iat= 772, 770, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   49 PRO  HD+          48 MET  HN          4.00    (#    859:10  Unique         2.27, 2.56 A)
 &rst
  ixpk= 859, nxpk= 10, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 788, 789,
 &end
#
#   49 PRO  HD-          48 MET  HN          4.00    (#    860:10  Unique         2.27, 2.56 A)
 &rst
  ixpk= 860, nxpk= 10, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 788, 789,
 &end
#
#   48 MET  HB+          48 MET  HN          3.00    (#    863:10  Unique         1.97, 2.64 A)
 &rst
  ixpk= 863, nxpk= 10, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 774, 775,
 &end
#
#    0 AMB  10-2:868     52 ASN  HN          3.00    (#    868:10  Single Ambig)
 &rst
  ixpk= 868, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 818, 848,
 &end
#
#   50 GLN  HN           52 ASN  HN          4.00    (#    869:10  Unique         4.00, 4.08 A)
 &rst
  ixpk= 869, nxpk= 10, iat= 801, 834, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   52 ASN  HD2+         52 ASN  HN          5.00    (#    870:10  Unique         2.69, 3.54 A)
 &rst
  ixpk= 870, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 843, 844,
 &end
#
#   48 MET  HA           52 ASN  HN          5.00    (#    871:10  Unique         4.33, 4.45 A)
 &rst
  ixpk= 871, nxpk= 10, iat= 772, 834, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 PRO  HA           52 ASN  HN          5.00    (#    872:10  Unique         3.15, 3.27 A)
 &rst
  ixpk= 872, nxpk= 10, iat= 797, 834, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 ASN  HA           52 ASN  HN          3.00    (#    873:10  Unique         2.76, 2.79 A)
 &rst
  ixpk= 873, nxpk= 10, iat= 836, 834, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:874     52 ASN  HN          4.00    (#    874:10  Single Ambig)
 &rst
  ixpk= 874, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 803, 850,
 &end
#
#   52 ASN  HB+          52 ASN  HN          3.00    (#    875:10  Unique         2.03, 2.79 A)
 &rst
  ixpk= 875, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 838, 839,
 &end
#
#    0 AMB  10-2:876     52 ASN  HN          5.00    (#    876:10  Single Ambig)
 &rst
  ixpk= 876, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 805, 806, 774, 775, 808, 809,
 &end
#
#   51 VAL  HB           52 ASN  HN          4.00    (#    877:10  Unique         2.88, 3.34 A)
 &rst
  ixpk= 877, nxpk= 10, iat= 822, 834, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 VAL  MGY          52 ASN  HN          4.00    (#    878:10  Unique         2.04, 4.23 A)
 &rst
  ixpk= 878, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#   51 VAL  MGX          52 ASN  HN          4.00    (#    879:10  Unique         2.04, 4.23 A)
 &rst
  ixpk= 879, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#    0 AMB  10-2:880     52 ASN  HN          4.00    (#    880:10  Single Ambig)
 &rst
  ixpk= 880, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 820, 867, 868,
 &end
#
#   75 ASP  HN           74 ASP  HN          3.00    (#    881:10  Unique         2.19, 2.58 A)
 &rst
  ixpk= 881, nxpk= 10, iat=1209,1197, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   74 ASP  HA           74 ASP  HN          3.00    (#    886:10  Unique         2.64, 2.79 A)
 &rst
  ixpk= 886, nxpk= 10, iat=1199,1197, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   72 SER  HB-          74 ASP  HN          3.00    (#    888:10  Unique         1.96, 2.97 A)
 &rst
  ixpk= 888, nxpk= 10, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1175,1176,
 &end
#
#   72 SER  HB+          74 ASP  HN          4.00    (#    889:10  Unique         1.96, 2.97 A)
 &rst
  ixpk= 889, nxpk= 10, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1175,1176,
 &end
#
#   74 ASP  HB+          74 ASP  HN          4.00    (#    890:10  Unique         2.03, 2.89 A)
 &rst
  ixpk= 890, nxpk= 10, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1201,1202,
 &end
#
#   74 ASP  HB-          74 ASP  HN          3.00    (#    891:10  Unique         2.03, 2.89 A)
 &rst
  ixpk= 891, nxpk= 10, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1201,1202,
 &end
#
#   83 GLU  HA           83 GLU  HN          3.00    (#    894:10  Unique         2.73, 2.79 A)
 &rst
  ixpk= 894, nxpk= 10, iat=1338,1336, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   82 LYS  HA           83 GLU  HN          4.00    (#    895:10  Unique         3.60, 3.63 A)
 &rst
  ixpk= 895, nxpk= 10, iat=1316,1336, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 GLU  HG-          83 GLU  HN          4.00    (#    896:10  Unique         3.56, 4.18 A)
 &rst
  ixpk= 896, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1343,1344,
 &end
#
#   83 GLU  HB+          83 GLU  HN          4.00    (#    897:10  Unique         2.02, 2.58 A)
 &rst
  ixpk= 897, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1340,1341,
 &end
#
#   83 GLU  HB-          83 GLU  HN          3.00    (#    898:10  Unique         2.02, 2.58 A)
 &rst
  ixpk= 898, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1340,1341,
 &end
#
#   82 LYS  HB+          83 GLU  HN          3.00    (#    899:10  Unique         2.18, 3.00 A)
 &rst
  ixpk= 899, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1318,1319,
 &end
#
#   82 LYS  HB-          83 GLU  HN          3.00    (#    900:10  Unique         2.18, 3.00 A)
 &rst
  ixpk= 900, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1318,1319,
 &end
#
#   85 ALA  HN           83 GLU  HN          5.00    (#    901:10  Unique         3.84, 4.19 A)
 &rst
  ixpk= 901, nxpk= 10, iat=1365,1336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 THR  HN           83 GLU  HN          3.00    (#    903:10  Unique         2.47, 2.66 A)
 &rst
  ixpk= 903, nxpk= 10, iat=1351,1336, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 THR  HB           83 GLU  HN          5.00    (#    904:10  Unique         4.09, 4.41 A)
 &rst
  ixpk= 904, nxpk= 10, iat=1355,1336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 LYS  HD+          83 GLU  HN          5.00    (#    905:10  Unique         2.30, 4.53 A)
 &rst
  ixpk= 905, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1324,1325,
 &end
#
#    0 AMB  10-2:906     83 GLU  HN          4.00    (#    906:10  Single Ambig)
 &rst
  ixpk= 906, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1321,1322,1321,1322,1379,1380,1381,1299,
 &end
#
#    0 AMB  10-2:907     83 GLU  HN          5.00    (#    907:10  Single Ambig)
 &rst
  ixpk= 907, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 283, 284, 285, 287, 288, 289, 648, 649, 650,
 &end
#
#  104 ASP  HN          107 GLU  HN          5.00    (#    912:10  Unique         3.35, 3.81 A)
 &rst
  ixpk= 912, nxpk= 10, iat=1643,1685, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:913      0 AMB  10-1:913    3.00    (#    913:10  Double Ambig)
 &rst
  ixpk= 913, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1689,1690,1692,1693,1966,1967, 107, 108,
 igr2=1685,1923,
 &end
#
#  102 LEU  HB+         107 GLU  HN          5.00    (#    914:10  Unique         4.31, 5.41 A)
 &rst
  ixpk= 914, nxpk= 10, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1614,1615,
 &end
#
#  106 PHE  HN          107 GLU  HN          3.00    (#    915:10  Unique         1.87, 2.11 A)
 &rst
  ixpk= 915, nxpk= 10, iat=1665,1685, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  108 ASN  HN          107 GLU  HN          3.00    (#    916:10  Unique         2.34, 2.58 A)
 &rst
  ixpk= 916, nxpk= 10, iat=1700,1685, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  122 GLN  HE2-        122 GLN  HN          5.00    (#    917:10  Unique         3.70, 5.43 A)
 &rst
  ixpk= 917, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1935,1936,
 &end
#
#    0 AMB  10-2:918      0 AMB  10-1:918    4.00    (#    918:10  Double Ambig)
 &rst
  ixpk= 918, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1645, 507,
 igr2=1685,1923,
 &end
#
#    0 AMB  10-2:919    107 GLU  HN          3.00    (#    919:10  Single Ambig)
 &rst
  ixpk= 919, nxpk= 10, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1631,1687,
 &end
#
#    0 AMB  10-2:921      0 AMB  10-1:921    4.00    (#    921:10  Double Ambig)
 &rst
  ixpk= 921, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1669,1670,1852,1853,
 igr2=1685,1923,
 &end
#
#  106 PHE  HB+         107 GLU  HN          4.00    (#    922:10  Unique         2.58, 3.28 A)
 &rst
  ixpk= 922, nxpk= 10, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1669,1670,
 &end
#
#   60 ASP  HN           62 LEU  HN          4.00    (#    924:10  Unique         2.30, 3.87 A)
 &rst
  ixpk= 924, nxpk= 10, iat= 979,1008, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   62 LEU  HG           62 LEU  HN          5.00    (#    929:10  Unique         3.07, 3.84 A)
 &rst
  ixpk= 929, nxpk= 10, iat=1015,1008, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LYS  HD+          62 LEU  HN          5.00    (#    930:10  Unique         3.76, 5.45 A)
 &rst
  ixpk= 930, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 485, 486,
 &end
#
#    0 AMB  10-2:931      0 AMB  10-1:931    5.00    (#    931:10  Double Ambig)
 &rst
  ixpk= 931, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 479, 480,1784,1785,1786,
 igr2=1008,2020,
 &end
#
#  114 TYR  HN          127 GLN  HN          4.00    (#    932:10  Unique         3.09, 3.39 A)
 &rst
  ixpk= 932, nxpk= 10, iat=1790,2020, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  136 LEU  MDX         127 GLN  HN          5.00    (#    934:10  Unique         2.80, 5.83 A)
 &rst
  ixpk= 934, nxpk= 10, iat=  -1,2020, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  128 ALA  HN          127 GLN  HN          5.00    (#    935:10  Unique         4.21, 4.42 A)
 &rst
  ixpk= 935, nxpk= 10, iat=2037,2020, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  126 PHE  HN          127 GLN  HN          5.00    (#    936:10  Unique         3.89, 4.11 A)
 &rst
  ixpk= 936, nxpk= 10, iat=2000,2020, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  126 PHE  HA          127 GLN  HN          3.00    (#    938:10  Unique         2.19, 2.21 A)
 &rst
  ixpk= 938, nxpk= 10, iat=2002,2020, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  115 TYR  HA          127 GLN  HN          4.00    (#    939:10  Unique         3.01, 3.44 A)
 &rst
  ixpk= 939, nxpk= 10, iat=1813,2020, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  127 GLN  HA          127 GLN  HN          3.00    (#    940:10  Unique         2.88, 2.91 A)
 &rst
  ixpk= 940, nxpk= 10, iat=2022,2020, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:941    127 GLN  HN          4.00    (#    941:10  Single Ambig)
 &rst
  ixpk= 941, nxpk= 10, iat=  -1,2020, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1794,1795,2004,2005,
 &end
#
#  127 GLN  HB-         127 GLN  HN          3.00    (#    942:10  Unique         2.44, 2.94 A)
 &rst
  ixpk= 942, nxpk= 10, iat=  -1,2020, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2024,2025,
 &end
#
#  128 ALA  MB          127 GLN  HN          5.00    (#    943:10  Unique         4.80, 5.83 A)
 &rst
  ixpk= 943, nxpk= 10, iat=  -1,2020, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2041,2042,2043,
 &end
#
#  140 VAL  HN          142 ARG  HN          5.00    (#    946:10  Unique         3.41, 3.68 A)
 &rst
  ixpk= 946, nxpk= 10, iat=2215,2245, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  141 ASN  HN          142 ARG  HN          3.00    (#    947:10  Unique         2.41, 2.56 A)
 &rst
  ixpk= 947, nxpk= 10, iat=2231,2245, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  144 LEU  HN          142 ARG  HN          5.00    (#    948:10  Unique         3.51, 3.75 A)
 &rst
  ixpk= 948, nxpk= 10, iat=2285,2245, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  141 ASN  HA          142 ARG  HN          4.00    (#    950:10  Unique         3.43, 3.45 A)
 &rst
  ixpk= 950, nxpk= 10, iat=2233,2245, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  142 ARG  HA          142 ARG  HN          3.00    (#    951:10  Unique         2.82, 2.84 A)
 &rst
  ixpk= 951, nxpk= 10, iat=2247,2245, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  138 LYS  HA          142 ARG  HN          5.00    (#    952:10  Unique         3.99, 4.55 A)
 &rst
  ixpk= 952, nxpk= 10, iat=2171,2245, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:953      0 AMB  10-1:953    3.00    (#    953:10  Double Ambig)
 &rst
  ixpk= 953, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 361,2193,
 igr2= 415,2245,
 &end
#
#  142 ARG  HD+         142 ARG  HN          5.00    (#    955:10  Unique         4.26, 4.75 A)
 &rst
  ixpk= 955, nxpk= 10, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2255,2256,
 &end
#
#    0 AMB  10-2:956    142 ARG  HN          4.00    (#    956:10  Single Ambig)
 &rst
  ixpk= 956, nxpk= 10, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2235,2236,2201,2202,
 &end
#
#  141 ASN  HB+         142 ARG  HN          4.00    (#    957:10  Unique         2.95, 3.76 A)
 &rst
  ixpk= 957, nxpk= 10, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2235,2236,
 &end
#
#  142 ARG  HB-         142 ARG  HN          5.00    (#    958:10  Unique         2.09, 2.54 A)
 &rst
  ixpk= 958, nxpk= 10, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2249,2250,
 &end
#
#  142 ARG  HB+         142 ARG  HN          3.00    (#    959:10  Unique         2.09, 2.54 A)
 &rst
  ixpk= 959, nxpk= 10, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2249,2250,
 &end
#
#    0 AMB  10-2:960      0 AMB  10-1:960    4.00    (#    960:10  Double Ambig)
 &rst
  ixpk= 960, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=2289,2290,2195,2196, 366, 367,2308,2309,2310,
 igr2=2245, 415,
 &end
#
#    0 AMB  10-2:961      0 AMB  10-1:961    4.00    (#    961:10  Double Ambig)
 &rst
  ixpk= 961, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,1063,1064,1065,1067,1068,1069,
 igr2=2245, 415,
 &end
#
#  111 VAL  MGY         113 ALA  HN          5.00    (#    965:10  Unique         3.75, 5.50 A)
 &rst
  ixpk= 965, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#   36 PHE  HN          113 ALA  HN          4.00    (#    966:10  Unique         2.51, 2.81 A)
 &rst
  ixpk= 966, nxpk= 10, iat= 580,1780, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   37 TRP  HD1         113 ALA  HN          5.00    (#    967:10  Unique         3.53, 4.89 A)
 &rst
  ixpk= 967, nxpk= 10, iat= 608,1780, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HA          113 ALA  HN          5.00    (#    968:10  Unique         4.11, 4.28 A)
 &rst
  ixpk= 968, nxpk= 10, iat= 565,1780, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:969    113 ALA  HN          3.00    (#    969:10  Single Ambig)
 &rst
  ixpk= 969, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1776,1782,
 &end
#
#  111 VAL  HA          113 ALA  HN          3.00    (#    970:10  Unique         2.48, 2.94 A)
 &rst
  ixpk= 970, nxpk= 10, iat=1752,1780, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:971    113 ALA  HN          4.00    (#    971:10  Single Ambig)
 &rst
  ixpk= 971, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 584, 585, 604, 605,
 &end
#
#  112 PRO  HB-         113 ALA  HN          4.00    (#    972:10  Unique         2.71, 3.22 A)
 &rst
  ixpk= 972, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1773,1774,
 &end
#
#   36 PHE  HB-         113 ALA  HN          4.00    (#    973:10  Unique         2.97, 3.98 A)
 &rst
  ixpk= 973, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 584, 585,
 &end
#
#    0 AMB  10-2:974    113 ALA  HN          4.00    (#    974:10  Single Ambig)
 &rst
  ixpk= 974, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1773,1774,1754,
 &end
#
#  113 ALA  MB          113 ALA  HN          3.00    (#    975:10  Unique         2.81, 3.47 A)
 &rst
  ixpk= 975, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1784,1785,1786,
 &end
#
#  111 VAL  MGX         113 ALA  HN          4.00    (#    976:10  Unique         3.75, 5.50 A)
 &rst
  ixpk= 976, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#    0 AMB  10-2:977     52 ASN  HN          5.00    (#    977:10  Single Ambig)
 &rst
  ixpk= 977, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 855, 856, 794, 795,
 &end
#
#   52 ASN  HN           55 ARG  HN          5.00    (#    978:10  Unique         4.47, 4.62 A)
 &rst
  ixpk= 978, nxpk= 10, iat= 834, 883, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 ARG  HN            3 LEU  HN          5.00    (#    981:10  Unique         3.10, 4.34 A)
 &rst
  ixpk= 981, nxpk= 10, iat=  62,  43, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    2 LYS  HA            3 LEU  HN          3.00    (#    983:10  Unique         2.18, 2.58 A)
 &rst
  ixpk= 983, nxpk= 10, iat=  23,  43, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    3 LEU  HA            3 LEU  HN          4.00    (#    985:10  Unique         2.21, 2.43 A)
 &rst
  ixpk= 985, nxpk= 10, iat=  45,  43, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:986      3 LEU  HN          4.00    (#    986:10  Single Ambig)
 &rst
  ixpk= 986, nxpk= 10, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  50,  47,  48,
 &end
#
#    2 LYS  HB-           3 LEU  HN          4.00    (#    987:10  Unique         1.93, 3.82 A)
 &rst
  ixpk= 987, nxpk= 10, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  25,  26,
 &end
#
#    0 AMB  10-2:988      3 LEU  HN          4.00    (#    988:10  Single Ambig)
 &rst
  ixpk= 988, nxpk= 10, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  47,  48,1944,1945,
 &end
#
#    3 LEU  MDX           3 LEU  HN          4.00    (#    989:10  Unique         1.92, 4.23 A)
 &rst
  ixpk= 989, nxpk= 10, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    3 LEU  MDY           3 LEU  HN          3.00    (#    990:10  Unique         1.92, 4.23 A)
 &rst
  ixpk= 990, nxpk= 10, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#   61 GLN  HN           62 LEU  HN          3.00    (#    994:10  Unique         1.88, 2.01 A)
 &rst
  ixpk= 994, nxpk= 10, iat= 991,1008, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   59 GLN  HN           62 LEU  HN          5.00    (#    996:10  Unique         4.51, 4.98 A)
 &rst
  ixpk= 996, nxpk= 10, iat= 962,1008, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ASN  HD2+         62 LEU  HN          5.00    (#    997:10  Unique         5.97, 6.58 A)
 &rst
  ixpk= 997, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1036,1037,
 &end
#
#   62 LEU  HA           62 LEU  HN          3.00    (#    998:10  Unique         2.86, 2.89 A)
 &rst
  ixpk= 998, nxpk= 10, iat=1010,1008, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 GLN  HA           62 LEU  HN          4.00    (#    999:10  Unique         3.50, 3.57 A)
 &rst
  ixpk= 999, nxpk= 10, iat= 993,1008, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GLN  HA           62 LEU  HN          4.00    (#   1000:10  Unique         3.41, 3.75 A)
 &rst
  ixpk= 1000, nxpk= 10, iat= 964,1008, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   58 TYR  HB-          62 LEU  HN          4.00    (#   1001:10  Unique         2.90, 3.90 A)
 &rst
  ixpk= 1001, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 945, 946,
 &end
#
#   58 TYR  HB+          62 LEU  HN          4.00    (#   1002:10  Unique         2.90, 3.90 A)
 &rst
  ixpk= 1002, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 945, 946,
 &end
#
#    0 AMB  10-2:1003    62 LEU  HN          3.00    (#   1003:10  Single Ambig)
 &rst
  ixpk= 1003, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 995, 996, 998, 999,
 &end
#
#    0 AMB  10-2:1004    62 LEU  HN          3.00    (#   1004:10  Single Ambig)
 &rst
  ixpk= 1004, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 995, 996,1012,1013,
 &end
#
#   62 LEU  HB+          62 LEU  HN          3.00    (#   1005:10  Unique         2.82, 3.44 A)
 &rst
  ixpk= 1005, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1012,1013,
 &end
#
#   64 VAL  MGX          62 LEU  HN          5.00    (#   1006:10  Unique         4.31, 6.55 A)
 &rst
  ixpk= 1006, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#  144 LEU  MDX          62 LEU  HN          5.00    (#   1007:10  Unique         4.41, 5.66 A)
 &rst
  ixpk= 1007, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#   62 LEU  MDY          62 LEU  HN          4.00    (#   1008:10  Unique         1.91, 4.58 A)
 &rst
  ixpk= 1008, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1017,1018,1019,1021,1022,1023,
 &end
#
#   63 ASN  HN           62 LEU  HN          5.00    (#   1009:10  Unique         4.13, 4.34 A)
 &rst
  ixpk= 1009, nxpk= 10, iat=1027,1008, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 TYR  HA           62 LEU  HN          5.00    (#   1010:10  Unique         3.50, 4.80 A)
 &rst
  ixpk= 1010, nxpk= 10, iat= 943,1008, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1011    62 LEU  HN          5.00    (#   1011:10  Single Ambig)
 &rst
  ixpk= 1011, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 485, 486, 482, 483,
 &end
#
#    0 AMB  10-2:1012     0 AMB  10-1:1012   3.00    (#   1012:10  Double Ambig)
 &rst
  ixpk= 1012, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2269, 398, 345,
 igr2=2245, 415,
 &end
#
#    0 AMB  10-2:1013     0 AMB  10-1:1013   4.00    (#   1013:10  Double Ambig)
 &rst
  ixpk= 1013, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=2252,2253,2252,2253, 438,
 igr2=2245, 415,
 &end
#
#    0 AMB  10-2:1014     0 AMB  10-1:1014   5.00    (#   1014:10  Double Ambig)
 &rst
  ixpk= 1014, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=2195,2196, 517, 518, 519, 351, 352, 353,
 igr2=2245, 415,
 &end
#
#    0 AMB  10-2:1015     0 AMB  10-1:1015   5.00    (#   1015:10  Double Ambig)
 &rst
  ixpk= 1015, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 405, 406,2321,2322,
 igr2= 415,2245,
 &end
#
#    0 AMB  10-2:1016    26 LEU  HN          4.00    (#   1016:10  Single Ambig)
 &rst
  ixpk= 1016, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 335, 336, 337, 339, 340, 341, 424, 425, 426, 428,
       429, 430,
 &end
#
#   27 ILE  HN           26 LEU  HN          3.00    (#   1017:10  Unique         2.36, 2.55 A)
 &rst
  ixpk= 1017, nxpk= 10, iat= 434, 415, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1018    26 LEU  HN          3.00    (#   1018:10  Single Ambig)
 &rst
  ixpk= 1018, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 417, 400,
 &end
#
#    0 AMB  10-2:1019    26 LEU  HN          4.00    (#   1019:10  Single Ambig)
 &rst
  ixpk= 1019, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 402, 403, 390, 391,
 &end
#
#    0 AMB  10-2:1020    26 LEU  HN          3.00    (#   1020:10  Single Ambig)
 &rst
  ixpk= 1020, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 419, 420, 419, 420, 422,
 &end
#
#   27 ILE  HG1+         26 LEU  HN          5.00    (#   1021:10  Unique         3.83, 4.05 A)
 &rst
  ixpk= 1021, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 444, 445,
 &end
#
#    0 AMB  10-2:1022   142 ARG  HN          5.00    (#   1022:10  Single Ambig)
 &rst
  ixpk= 1022, nxpk= 10, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  10-2:1023    26 LEU  HN          3.00    (#   1023:10  Single Ambig)
 &rst
  ixpk= 1023, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 335, 336, 337, 339, 340, 341, 424, 425, 426, 428,
       429, 430,
 &end
#
#   24 GLU  HN           26 LEU  HN          5.00    (#   1024:10  Unique         3.43, 3.70 A)
 &rst
  ixpk= 1024, nxpk= 10, iat= 383, 415, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  127 GLN  HN          114 TYR  HN          4.00    (#   1027:10  Unique         3.09, 3.39 A)
 &rst
  ixpk= 1027, nxpk= 10, iat=2020,1790, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  113 ALA  HN          114 TYR  HN          5.00    (#   1028:10  Unique         4.18, 4.30 A)
 &rst
  ixpk= 1028, nxpk= 10, iat=1780,1790, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  126 PHE  HA          114 TYR  HN          5.00    (#   1032:10  Unique         4.54, 4.77 A)
 &rst
  ixpk= 1032, nxpk= 10, iat=2002,1790, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  114 TYR  HA          114 TYR  HN          4.00    (#   1033:10  Unique         2.89, 2.92 A)
 &rst
  ixpk= 1033, nxpk= 10, iat=1792,1790, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  128 ALA  HA          114 TYR  HN          3.00    (#   1034:10  Unique         2.76, 2.96 A)
 &rst
  ixpk= 1034, nxpk= 10, iat=2039,1790, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  114 TYR  HB-         114 TYR  HN          4.00    (#   1036:10  Unique         2.46, 3.28 A)
 &rst
  ixpk= 1036, nxpk= 10, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1794,1795,
 &end
#
#  114 TYR  HB+         114 TYR  HN          4.00    (#   1037:10  Unique         2.46, 3.28 A)
 &rst
  ixpk= 1037, nxpk= 10, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1794,1795,
 &end
#
#  127 GLN  HB-         114 TYR  HN          5.00    (#   1038:10  Unique         4.54, 4.97 A)
 &rst
  ixpk= 1038, nxpk= 10, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2024,2025,
 &end
#
#  127 GLN  HB-         114 TYR  HN          5.00    (#   1039:10  Unique         4.54, 4.97 A)
 &rst
  ixpk= 1039, nxpk= 10, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2024,2025,
 &end
#
#  113 ALA  MB          114 TYR  HN          3.00    (#   1040:10  Unique         2.54, 3.55 A)
 &rst
  ixpk= 1040, nxpk= 10, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1784,1785,1786,
 &end
#
#  128 ALA  MB          114 TYR  HN          4.00    (#   1041:10  Unique         2.58, 4.08 A)
 &rst
  ixpk= 1041, nxpk= 10, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2041,2042,2043,
 &end
#
#   33 LEU  MDY         114 TYR  HN          5.00    (#   1042:10  Unique         5.23, 7.25 A)
 &rst
  ixpk= 1042, nxpk= 10, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#   56 ASP  HN           55 ARG  HN          5.00    (#   1043:10  Unique         2.78, 2.89 A)
 &rst
  ixpk= 1043, nxpk= 10, iat= 907, 883, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PHE  HN           55 ARG  HN          4.00    (#   1044:10  Unique         2.66, 2.79 A)
 &rst
  ixpk= 1044, nxpk= 10, iat= 863, 883, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1045    55 ARG  HN          4.00    (#   1045:10  Single Ambig)
 &rst
  ixpk= 1045, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 867, 868, 820,
 &end
#
#   54 PHE  HB+          55 ARG  HN          5.00    (#   1046:10  Unique         2.45, 3.36 A)
 &rst
  ixpk= 1046, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 867, 868,
 &end
#
#   55 ARG  HB-          55 ARG  HN          4.00    (#   1047:10  Unique         2.03, 2.52 A)
 &rst
  ixpk= 1047, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 887, 888,
 &end
#
#    0 AMB  10-2:1048    46 GLU  HN          3.00    (#   1048:10  Single Ambig)
 &rst
  ixpk= 1048, nxpk= 10, iat=  -1, 745, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 747,2074,2075,
 &end
#
#   45 LYS  HN           46 GLU  HN          4.00    (#   1049:10  Unique         2.42, 2.61 A)
 &rst
  ixpk= 1049, nxpk= 10, iat= 723, 745, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   46 GLU  HG-          46 GLU  HN          3.00    (#   1050:10  Unique         1.93, 2.52 A)
 &rst
  ixpk= 1050, nxpk= 10, iat=  -1, 745, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 752, 753,
 &end
#
#   46 GLU  HB-          46 GLU  HN          3.00    (#   1051:10  Unique         2.53, 3.09 A)
 &rst
  ixpk= 1051, nxpk= 10, iat=  -1, 745, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 749, 750,
 &end
#
#   45 LYS  HB+          46 GLU  HN          3.00    (#   1052:10  Unique         2.15, 3.48 A)
 &rst
  ixpk= 1052, nxpk= 10, iat=  -1, 745, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 727, 728,
 &end
#
#   37 TRP  HD1          92 GLN  HE2+        5.00    (#   1054:10  Unique         4.89, 5.70 A)
 &rst
  ixpk= 1054, nxpk= 10, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1474,1475,
 &end
#
#   92 GLN  HG-          92 GLN  HE2+        4.00    (#   1055:10  Unique         2.10, 3.16 A)
 &rst
  ixpk= 1055, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1469,1470,
 igr2=1474,1475,
 &end
#
#   66 ALA  MB           92 GLN  HE2+        4.00    (#   1056:10  Unique         1.84, 3.29 A)
 &rst
  ixpk= 1056, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1077,1078,1079,
 igr2=1474,1475,
 &end
#
#   64 VAL  MGY          92 GLN  HE2+        4.00    (#   1057:10  Unique         2.11, 5.49 A)
 &rst
  ixpk= 1057, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1047,1048,1049,1051,1052,1053,
 igr2=1474,1475,
 &end
#
#   90 ILE  QG2          92 GLN  HE2+        5.00    (#   1058:10  Unique         2.33, 4.47 A)
 &rst
  ixpk= 1058, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1435,1436,1437,
 igr2=1474,1475,
 &end
#
#   51 VAL  MGX          92 GLN  HE2+        5.00    (#   1059:10  Unique         1.93, 3.80 A)
 &rst
  ixpk= 1059, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 824, 825, 826, 828, 829, 830,
 igr2=1474,1475,
 &end
#
#   92 GLN  HG-          92 GLN  HE2-        5.00    (#   1061:10  Unique         2.10, 3.16 A)
 &rst
  ixpk= 1061, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1469,1470,
 igr2=1474,1475,
 &end
#
#   92 GLN  HG+          92 GLN  HE2-        5.00    (#   1062:10  Unique         2.10, 3.16 A)
 &rst
  ixpk= 1062, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1469,1470,
 igr2=1474,1475,
 &end
#
#   90 ILE  QG2          92 GLN  HE2-        5.00    (#   1063:10  Unique         2.33, 4.47 A)
 &rst
  ixpk= 1063, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1435,1436,1437,
 igr2=1474,1475,
 &end
#
#   64 VAL  MGY          92 GLN  HE2-        4.00    (#   1065:10  Unique         2.11, 5.49 A)
 &rst
  ixpk= 1065, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1047,1048,1049,1051,1052,1053,
 igr2=1474,1475,
 &end
#
#   37 TRP  HD1          92 GLN  HE2-        5.00    (#   1066:10  Unique         4.89, 5.70 A)
 &rst
  ixpk= 1066, nxpk= 10, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1474,1475,
 &end
#
#   92 GLN  HG-          92 GLN  HE2-        5.00    (#   1067:10  Unique         2.10, 3.16 A)
 &rst
  ixpk= 1067, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1469,1470,
 igr2=1474,1475,
 &end
#
#   92 GLN  HG+          92 GLN  HE2+        5.00    (#   1069:10  Unique         2.10, 3.16 A)
 &rst
  ixpk= 1069, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1469,1470,
 igr2=1474,1475,
 &end
#
#    0 AMB  10-2:1075   138 LYS  HN          5.00    (#   1075:10  Single Ambig)
 &rst
  ixpk= 1075, nxpk= 10, iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2182,2183,2109,2110,2235,2236,2201,2202,
 &end
#
#  138 LYS  HD+         138 LYS  HN          4.00    (#   1076:10  Unique         1.94, 2.61 A)
 &rst
  ixpk= 1076, nxpk= 10, iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2179,2180,
 &end
#
#  137 GLU  HN          138 LYS  HN          3.00    (#   1077:10  Unique         2.82, 2.93 A)
 &rst
  ixpk= 1077, nxpk= 10, iat=2154,2169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  139 ARG  HN          138 LYS  HN          3.00    (#   1079:10  Unique         2.24, 2.35 A)
 &rst
  ixpk= 1079, nxpk= 10, iat=2191,2169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  135 MET  HA          138 LYS  HN          4.00    (#   1080:10  Unique         3.51, 3.72 A)
 &rst
  ixpk= 1080, nxpk= 10, iat=2120,2169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  138 LYS  HA          138 LYS  HN          3.00    (#   1081:10  Unique         2.80, 2.89 A)
 &rst
  ixpk= 1081, nxpk= 10, iat=2171,2169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  137 GLU  HA          138 LYS  HN          4.00    (#   1082:10  Unique         3.50, 3.55 A)
 &rst
  ixpk= 1082, nxpk= 10, iat=2156,2169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  137 GLU  HB-         138 LYS  HN          3.00    (#   1083:10  Unique         2.96, 3.46 A)
 &rst
  ixpk= 1083, nxpk= 10, iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2158,2159,
 &end
#
#    0 AMB  10-2:1084   138 LYS  HN          3.00    (#   1084:10  Single Ambig)
 &rst
  ixpk= 1084, nxpk= 10, iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=2158,2159,2129,2130,2131,
 &end
#
#    0 AMB  10-2:1085   138 LYS  HN          3.00    (#   1085:10  Single Ambig)
 &rst
  ixpk= 1085, nxpk= 10, iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2161,2162,2173,2174,
 &end
#
#  138 LYS  HB+         138 LYS  HN          3.00    (#   1086:10  Unique         2.74, 3.24 A)
 &rst
  ixpk= 1086, nxpk= 10, iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2173,2174,
 &end
#
#  138 LYS  HG+         138 LYS  HN          3.00    (#   1087:10  Unique         1.79, 2.67 A)
 &rst
  ixpk= 1087, nxpk= 10, iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2176,2177,
 &end
#
#  138 LYS  HG-         138 LYS  HN          4.00    (#   1088:10  Unique         1.79, 2.67 A)
 &rst
  ixpk= 1088, nxpk= 10, iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2176,2177,
 &end
#
#   44 CYS  HA           45 LYS  HN          5.00    (#   1089:10  Unique         3.58, 3.60 A)
 &rst
  ixpk= 1089, nxpk= 10, iat= 714, 723, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 CYS  HN           45 LYS  HN          5.00    (#   1090:10  Unique         2.46, 2.58 A)
 &rst
  ixpk= 1090, nxpk= 10, iat= 712, 723, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 CYS  HB+          45 LYS  HN          5.00    (#   1091:10  Unique         2.61, 3.51 A)
 &rst
  ixpk= 1091, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 716, 717,
 &end
#
#   45 LYS  HB+          45 LYS  HN          3.00    (#   1092:10  Unique         2.23, 3.09 A)
 &rst
  ixpk= 1092, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 727, 728,
 &end
#
#   45 LYS  HG+          45 LYS  HN          4.00    (#   1093:10  Unique         1.92, 2.85 A)
 &rst
  ixpk= 1093, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 730, 731,
 &end
#
#   46 GLU  HN           45 LYS  HN          4.00    (#   1094:10  Unique         2.42, 2.61 A)
 &rst
  ixpk= 1094, nxpk= 10, iat= 745, 723, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   42 HIS  HA           45 LYS  HN          4.00    (#   1096:10  Unique         3.07, 3.22 A)
 &rst
  ixpk= 1096, nxpk= 10, iat= 678, 723, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   44 CYS  HB-          45 LYS  HN          4.00    (#   1097:10  Unique         2.61, 3.51 A)
 &rst
  ixpk= 1097, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 716, 717,
 &end
#
#   45 LYS  HA           45 LYS  HN          4.00    (#   1098:10  Unique         2.79, 2.82 A)
 &rst
  ixpk= 1098, nxpk= 10, iat= 725, 723, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  124 ARG  HD+         118 ASP  HN          5.00    (#   1100:10  Unique         2.10, 3.97 A)
 &rst
  ixpk= 1100, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1969,1970,
 &end
#
#  124 ARG  HG-         118 ASP  HN          4.00    (#   1101:10  Unique         2.02, 3.22 A)
 &rst
  ixpk= 1101, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1966,1967,
 &end
#
#   89 ASP  HN           90 ILE  HN          3.00    (#   1102:10  Unique         2.24, 2.87 A)
 &rst
  ixpk= 1102, nxpk= 10, iat=1417,1429, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   89 ASP  HA           90 ILE  HN          4.00    (#   1103:10  Unique         3.02, 3.49 A)
 &rst
  ixpk= 1103, nxpk= 10, iat=1419,1429, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 ASP  HB+          90 ILE  HN          5.00    (#   1104:10  Unique         2.45, 3.43 A)
 &rst
  ixpk= 1104, nxpk= 10, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1421,1422,
 &end
#
#   90 ILE  HB           90 ILE  HN          4.00    (#   1105:10  Unique         2.14, 3.15 A)
 &rst
  ixpk= 1105, nxpk= 10, iat=1433,1429, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 ALA  MB           90 ILE  HN          5.00    (#   1106:10  Unique         3.66, 5.66 A)
 &rst
  ixpk= 1106, nxpk= 10, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1369,1370,1371,
 &end
#
#   91 THR  MG2          90 ILE  HN          5.00    (#   1107:10  Unique         4.01, 5.45 A)
 &rst
  ixpk= 1107, nxpk= 10, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1454,1455,1456,
 &end
#
#   90 ILE  QD1          90 ILE  HN          4.00    (#   1108:10  Unique         1.85, 3.86 A)
 &rst
  ixpk= 1108, nxpk= 10, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1442,1443,1444,
 &end
#
#   90 ILE  HA           90 ILE  HN          3.00    (#   1109:10  Unique         2.34, 2.56 A)
 &rst
  ixpk= 1109, nxpk= 10, iat=1431,1429, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 MET  ME           90 ILE  HN          5.00    (#   1110:10  Unique         3.80, 5.69 A)
 &rst
  ixpk= 1110, nxpk= 10, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 781, 782, 783,
 &end
#
#   90 ILE  HG1-         90 ILE  HN          3.00    (#   1111:10  Unique         1.87, 2.32 A)
 &rst
  ixpk= 1111, nxpk= 10, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1439,1440,
 &end
#
#   94 ILE  QD1          90 ILE  HN          5.00    (#   1112:10  Unique         5.07, 6.14 A)
 &rst
  ixpk= 1112, nxpk= 10, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1506,1507,1508,
 &end
#
#   90 ILE  HG1+         90 ILE  HN          4.00    (#   1113:10  Unique         1.87, 2.32 A)
 &rst
  ixpk= 1113, nxpk= 10, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1439,1440,
 &end
#
#  139 ARG  HN          137 GLU  HN          5.00    (#   1114:10  Unique         4.01, 4.36 A)
 &rst
  ixpk= 1114, nxpk= 10, iat=2191,2154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  138 LYS  HN          137 GLU  HN          3.00    (#   1115:10  Unique         2.82, 2.93 A)
 &rst
  ixpk= 1115, nxpk= 10, iat=2169,2154, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  136 LEU  HN          137 GLU  HN          3.00    (#   1116:10  Unique         2.29, 2.69 A)
 &rst
  ixpk= 1116, nxpk= 10, iat=2135,2154, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   50 GLN  HE2-        137 GLU  HN          5.00    (#   1118:10  Unique         5.31, 6.35 A)
 &rst
  ixpk= 1118, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 813, 814,
 &end
#
#  133 MET  HA          137 GLU  HN          5.00    (#   1120:10  Unique         3.91, 4.39 A)
 &rst
  ixpk= 1120, nxpk= 10, iat=2081,2154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  136 LEU  HA          137 GLU  HN          4.00    (#   1122:10  Unique         3.52, 3.62 A)
 &rst
  ixpk= 1122, nxpk= 10, iat=2137,2154, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  137 GLU  HA          137 GLU  HN          3.00    (#   1123:10  Unique         2.62, 2.65 A)
 &rst
  ixpk= 1123, nxpk= 10, iat=2156,2154, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  137 GLU  HB-         137 GLU  HN          3.00    (#   1124:10  Unique         2.05, 2.58 A)
 &rst
  ixpk= 1124, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2158,2159,
 &end
#
#  137 GLU  HB+         137 GLU  HN          3.00    (#   1125:10  Unique         2.05, 2.58 A)
 &rst
  ixpk= 1125, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2158,2159,
 &end
#
#  133 MET  HB-         137 GLU  HN          4.00    (#   1126:10  Unique         2.79, 4.07 A)
 &rst
  ixpk= 1126, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2083,2084,
 &end
#
#  136 LEU  HB-         137 GLU  HN          3.00    (#   1127:10  Unique         2.42, 3.35 A)
 &rst
  ixpk= 1127, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2139,2140,
 &end
#
#  133 MET  ME          137 GLU  HN          5.00    (#   1128:10  Unique         1.84, 3.93 A)
 &rst
  ixpk= 1128, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2090,2091,2092,
 &end
#
#    0 AMB  10-2:1129   137 GLU  HN          3.00    (#   1129:10  Single Ambig)
 &rst
  ixpk= 1129, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2139,2140,2142,
 &end
#
#  136 LEU  MDY         137 GLU  HN          4.00    (#   1130:10  Unique         2.19, 4.79 A)
 &rst
  ixpk= 1130, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  138 LYS  HD+         139 ARG  HN          5.00    (#   1132:10  Unique         3.58, 4.60 A)
 &rst
  ixpk= 1132, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2179,2180,
 &end
#
#   90 ILE  HN           89 ASP  HN          3.00    (#   1133:10  Unique         2.24, 2.87 A)
 &rst
  ixpk= 1133, nxpk= 10, iat=1429,1417, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 HIS  HN           89 ASP  HN          3.00    (#   1135:10  Unique         1.88, 2.36 A)
 &rst
  ixpk= 1135, nxpk= 10, iat=1400,1417, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 HIS  HA           89 ASP  HN          4.00    (#   1136:10  Unique         3.20, 3.44 A)
 &rst
  ixpk= 1136, nxpk= 10, iat=1402,1417, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 ASP  HA           89 ASP  HN          3.00    (#   1137:10  Unique         2.22, 2.24 A)
 &rst
  ixpk= 1137, nxpk= 10, iat=1419,1417, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   87 GLU  HA           89 ASP  HN          5.00    (#   1139:10  Unique         3.44, 3.75 A)
 &rst
  ixpk= 1139, nxpk= 10, iat=1387,1417, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 HIS  HB-          89 ASP  HN          5.00    (#   1140:10  Unique         3.05, 3.75 A)
 &rst
  ixpk= 1140, nxpk= 10, iat=  -1,1417, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1404,1405,
 &end
#
#   89 ASP  HB-          89 ASP  HN          4.00    (#   1141:10  Unique         3.32, 3.75 A)
 &rst
  ixpk= 1141, nxpk= 10, iat=  -1,1417, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1421,1422,
 &end
#
#   88 HIS  HB+          89 ASP  HN          5.00    (#   1142:10  Unique         3.05, 3.75 A)
 &rst
  ixpk= 1142, nxpk= 10, iat=  -1,1417, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1404,1405,
 &end
#
#   89 ASP  HB+          89 ASP  HN          4.00    (#   1143:10  Unique         3.32, 3.75 A)
 &rst
  ixpk= 1143, nxpk= 10, iat=  -1,1417, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1421,1422,
 &end
#
#   90 ILE  HG1-         89 ASP  HN          5.00    (#   1147:10  Unique         2.94, 4.07 A)
 &rst
  ixpk= 1147, nxpk= 10, iat=  -1,1417, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1439,1440,
 &end
#
#   91 THR  MG2          89 ASP  HN          5.00    (#   1148:10  Unique         5.57, 6.49 A)
 &rst
  ixpk= 1148, nxpk= 10, iat=  -1,1417, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1454,1455,1456,
 &end
#
#    0 AMB  10-2:1151   119 LYS  HN          5.00    (#   1151:10  Single Ambig)
 &rst
  ixpk= 1151, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1916,1868,
 &end
#
#  120 THR  HN          119 LYS  HN          4.00    (#   1152:10  Unique         2.63, 2.66 A)
 &rst
  ixpk= 1152, nxpk= 10, iat=1902,1880, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  118 ASP  HA          119 LYS  HN          3.00    (#   1153:10  Unique         2.49, 2.59 A)
 &rst
  ixpk= 1153, nxpk= 10, iat=1870,1880, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  118 ASP  HB-         119 LYS  HN          4.00    (#   1154:10  Unique         2.14, 3.27 A)
 &rst
  ixpk= 1154, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1872,1873,
 &end
#
#   31 PRO  HB-         119 LYS  HN          5.00    (#   1155:10  Unique         2.93, 3.93 A)
 &rst
  ixpk= 1155, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 504, 505,
 &end
#
#  119 LYS  HB-         119 LYS  HN          3.00    (#   1156:10  Unique         2.15, 2.90 A)
 &rst
  ixpk= 1156, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1884,1885,
 &end
#
#  119 LYS  HG+         119 LYS  HN          3.00    (#   1157:10  Unique         2.30, 2.89 A)
 &rst
  ixpk= 1157, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1887,1888,
 &end
#
#  119 LYS  HB+         119 LYS  HN          3.00    (#   1158:10  Unique         2.15, 2.90 A)
 &rst
  ixpk= 1158, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1884,1885,
 &end
#
#  120 THR  MG2         119 LYS  HN          5.00    (#   1159:10  Unique         3.48, 5.01 A)
 &rst
  ixpk= 1159, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1908,1909,1910,
 &end
#
#   31 PRO  HA          119 LYS  HN          5.00    (#   1161:10  Unique         3.26, 3.39 A)
 &rst
  ixpk= 1161, nxpk= 10, iat= 507,1880, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  119 LYS  HA          119 LYS  HN          3.00    (#   1162:10  Unique         2.76, 2.79 A)
 &rst
  ixpk= 1162, nxpk= 10, iat=1882,1880, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  119 LYS  HE+         119 LYS  HN          5.00    (#   1163:10  Unique         4.27, 5.28 A)
 &rst
  ixpk= 1163, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1893,1894,
 &end
#
#  118 ASP  HB+         119 LYS  HN          4.00    (#   1164:10  Unique         2.14, 3.27 A)
 &rst
  ixpk= 1164, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1872,1873,
 &end
#
#    0 AMB  10-2:1165   119 LYS  HN          4.00    (#   1165:10  Single Ambig)
 &rst
  ixpk= 1165, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 504, 505, 501, 502,
 &end
#
#  119 LYS  HG-         119 LYS  HN          4.00    (#   1166:10  Unique         2.30, 2.89 A)
 &rst
  ixpk= 1166, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1887,1888,
 &end
#
#    0 AMB  10-2:1167   119 LYS  HN          4.00    (#   1167:10  Single Ambig)
 &rst
  ixpk= 1167, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#  124 ARG  HN          118 ASP  HN          5.00    (#   1168:10  Unique         3.74, 4.01 A)
 &rst
  ixpk= 1168, nxpk= 10, iat=1959,1868, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  119 LYS  HN          118 ASP  HN          5.00    (#   1169:10  Unique         4.58, 4.64 A)
 &rst
  ixpk= 1169, nxpk= 10, iat=1880,1868, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  122 GLN  HN          118 ASP  HN          4.00    (#   1170:10  Unique         2.38, 2.90 A)
 &rst
  ixpk= 1170, nxpk= 10, iat=1923,1868, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  117 PHE  HA          118 ASP  HN          3.00    (#   1172:10  Unique         2.19, 2.22 A)
 &rst
  ixpk= 1172, nxpk= 10, iat=1850,1868, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  124 ARG  HA          118 ASP  HN          5.00    (#   1173:10  Unique         4.62, 4.93 A)
 &rst
  ixpk= 1173, nxpk= 10, iat=1961,1868, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  118 ASP  HA          118 ASP  HN          3.00    (#   1174:10  Unique         2.62, 2.70 A)
 &rst
  ixpk= 1174, nxpk= 10, iat=1870,1868, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  118 ASP  HB-         118 ASP  HN          3.00    (#   1175:10  Unique         2.03, 2.75 A)
 &rst
  ixpk= 1175, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1872,1873,
 &end
#
#  124 ARG  HD-         118 ASP  HN          4.00    (#   1176:10  Unique         2.10, 3.97 A)
 &rst
  ixpk= 1176, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1969,1970,
 &end
#
#  117 PHE  HB+         118 ASP  HN          4.00    (#   1177:10  Unique         3.10, 3.80 A)
 &rst
  ixpk= 1177, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1852,1853,
 &end
#
#  118 ASP  HB+         118 ASP  HN          4.00    (#   1178:10  Unique         2.03, 2.75 A)
 &rst
  ixpk= 1178, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1872,1873,
 &end
#
#    0 AMB  10-2:1179   118 ASP  HN          5.00    (#   1179:10  Single Ambig)
 &rst
  ixpk= 1179, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1930,1931,1927,1928,
 &end
#
#  124 ARG  HB+         118 ASP  HN          4.00    (#   1180:10  Unique         3.20, 4.41 A)
 &rst
  ixpk= 1180, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1963,1964,
 &end
#
#  124 ARG  HG+         118 ASP  HN          4.00    (#   1181:10  Unique         2.02, 3.22 A)
 &rst
  ixpk= 1181, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1966,1967,
 &end
#
#  124 ARG  HB-         118 ASP  HN          5.00    (#   1182:10  Unique         3.20, 4.41 A)
 &rst
  ixpk= 1182, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1963,1964,
 &end
#
#    0 AMB  10-2:1183   118 ASP  HN          5.00    (#   1183:10  Single Ambig)
 &rst
  ixpk= 1183, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#    0 AMB  10-2:1184   118 ASP  HN          5.00    (#   1184:10  Single Ambig)
 &rst
  ixpk= 1184, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1838,1839,1840,1842,1843,1844,1949,1950,1951,1953,
      1954,1955,
 &end
#
#  123 LEU  MDY         118 ASP  HN          5.00    (#   1185:10  Unique         5.45, 7.36 A)
 &rst
  ixpk= 1185, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#  140 VAL  HN          141 ASN  HN          3.00    (#   1186:10  Unique         2.21, 2.54 A)
 &rst
  ixpk= 1186, nxpk= 10, iat=2215,2231, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  139 ARG  HN          141 ASN  HN          5.00    (#   1188:10  Unique         3.91, 4.28 A)
 &rst
  ixpk= 1188, nxpk= 10, iat=2191,2231, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  143 VAL  HN          141 ASN  HN          5.00    (#   1189:10  Unique         4.04, 4.30 A)
 &rst
  ixpk= 1189, nxpk= 10, iat=2269,2231, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  141 ASN  HD2-        141 ASN  HN          5.00    (#   1190:10  Unique         2.35, 3.85 A)
 &rst
  ixpk= 1190, nxpk= 10, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2240,2241,
 &end
#
#  140 VAL  MGY         141 ASN  HN          3.00    (#   1193:10  Unique         2.07, 4.34 A)
 &rst
  ixpk= 1193, nxpk= 10, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#  136 LEU  MDX         137 GLU  HN          5.00    (#   1194:10  Unique         2.19, 4.79 A)
 &rst
  ixpk= 1194, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  140 VAL  HN          139 ARG  HN          3.00    (#   1197:10  Unique         2.54, 2.77 A)
 &rst
  ixpk= 1197, nxpk= 10, iat=2215,2191, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  141 ASN  HN          139 ARG  HN          5.00    (#   1198:10  Unique         3.91, 4.28 A)
 &rst
  ixpk= 1198, nxpk= 10, iat=2231,2191, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  137 GLU  HN          139 ARG  HN          5.00    (#   1199:10  Unique         4.01, 4.36 A)
 &rst
  ixpk= 1199, nxpk= 10, iat=2154,2191, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  138 LYS  HN          139 ARG  HN          3.00    (#   1201:10  Unique         2.24, 2.35 A)
 &rst
  ixpk= 1201, nxpk= 10, iat=2169,2191, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  135 MET  HA          139 ARG  HN          5.00    (#   1202:10  Unique         4.13, 4.54 A)
 &rst
  ixpk= 1202, nxpk= 10, iat=2120,2191, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  138 LYS  HA          139 ARG  HN          4.00    (#   1203:10  Unique         3.55, 3.61 A)
 &rst
  ixpk= 1203, nxpk= 10, iat=2171,2191, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  139 ARG  HA          139 ARG  HN          3.00    (#   1204:10  Unique         2.63, 2.71 A)
 &rst
  ixpk= 1204, nxpk= 10, iat=2193,2191, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  136 LEU  HA          139 ARG  HN          4.00    (#   1205:10  Unique         2.62, 2.85 A)
 &rst
  ixpk= 1205, nxpk= 10, iat=2137,2191, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  137 GLU  HA          139 ARG  HN          5.00    (#   1206:10  Unique         4.15, 4.76 A)
 &rst
  ixpk= 1206, nxpk= 10, iat=2156,2191, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  139 ARG  HD-         139 ARG  HN          5.00    (#   1207:10  Unique         2.61, 4.58 A)
 &rst
  ixpk= 1207, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2201,2202,
 &end
#
#  139 ARG  HD+         139 ARG  HN          5.00    (#   1208:10  Unique         2.61, 4.58 A)
 &rst
  ixpk= 1208, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2201,2202,
 &end
#
#  135 MET  ME          139 ARG  HN          5.00    (#   1209:10  Unique         3.12, 4.66 A)
 &rst
  ixpk= 1209, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2129,2130,2131,
 &end
#
#    0 AMB  10-2:1210   139 ARG  HN          3.00    (#   1210:10  Single Ambig)
 &rst
  ixpk= 1210, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2173,2174,2249,2250,
 &end
#
#  139 ARG  HB-         139 ARG  HN          3.00    (#   1211:10  Unique         2.03, 2.62 A)
 &rst
  ixpk= 1211, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2195,2196,
 &end
#
#    0 AMB  10-2:1212   139 ARG  HN          4.00    (#   1212:10  Single Ambig)
 &rst
  ixpk= 1212, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2176,2177,2198,2199,
 &end
#
#  139 ARG  HB+         139 ARG  HN          3.00    (#   1213:10  Unique         2.03, 2.62 A)
 &rst
  ixpk= 1213, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2195,2196,
 &end
#
#  140 VAL  MGX         139 ARG  HN          5.00    (#   1214:10  Unique         4.32, 6.43 A)
 &rst
  ixpk= 1214, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#  136 LEU  MDX         139 ARG  HN          5.00    (#   1215:10  Unique         3.68, 5.73 A)
 &rst
  ixpk= 1215, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  136 LEU  MDY         139 ARG  HN          4.00    (#   1216:10  Unique         3.68, 5.73 A)
 &rst
  ixpk= 1216, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#   63 ASN  HB-          63 ASN  HD2-        4.00    (#   1222:10  Unique         2.11, 3.27 A)
 &rst
  ixpk= 1222, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1031,1032,
 igr2=1036,1037,
 &end
#
#    0 AMB  10-2:1223    63 ASN  HD2-        5.00    (#   1223:10  Single Ambig)
 &rst
  ixpk= 1223, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 424, 425, 426, 428, 429, 430,1017,1018,1019,1021,
      1022,1023,
 igr2=1036,1037,
 &end
#
#   26 LEU  HA           63 ASN  HD2-        4.00    (#   1224:10  Unique         4.04, 4.47 A)
 &rst
  ixpk= 1224, nxpk= 10, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1036,1037,
 &end
#
#   63 ASN  HB+          63 ASN  HD2-        4.00    (#   1225:10  Unique         2.11, 3.27 A)
 &rst
  ixpk= 1225, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1031,1032,
 igr2=1036,1037,
 &end
#
#    0 AMB  10-2:1226    63 ASN  HD2-        5.00    (#   1226:10  Single Ambig)
 &rst
  ixpk= 1226, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 485, 486, 482, 483,
 igr2=1036,1037,
 &end
#
#   32 THR  MG2          63 ASN  HD2-        5.00    (#   1227:10  Unique         3.56, 6.12 A)
 &rst
  ixpk= 1227, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 517, 518, 519,
 igr2=1036,1037,
 &end
#
#    0 AMB  10-2:1228    63 ASN  HD2-        4.00    (#   1228:10  Single Ambig)
 &rst
  ixpk= 1228, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 424, 425, 426, 428, 429, 430,1017,1018,1019,1021,
      1022,1023,
 igr2=1036,1037,
 &end
#
#   30 LYS  HB-          63 ASN  HD2-        4.00    (#   1229:10  Unique         2.18, 3.69 A)
 &rst
  ixpk= 1229, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 479, 480,
 igr2=1036,1037,
 &end
#
#   28 GLY  HN           27 ILE  HN          5.00    (#   1230:10  Unique         4.42, 4.49 A)
 &rst
  ixpk= 1230, nxpk= 10, iat= 453, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 LEU  HN           27 ILE  HN          3.00    (#   1231:10  Unique         2.36, 2.55 A)
 &rst
  ixpk= 1231, nxpk= 10, iat= 415, 434, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 GLN  HN           27 ILE  HN          4.00    (#   1232:10  Unique         3.91, 4.09 A)
 &rst
  ixpk= 1232, nxpk= 10, iat= 398, 434, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 ILE  HA           27 ILE  HN          3.00    (#   1235:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 1235, nxpk= 10, iat= 436, 434, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1236    27 ILE  HN          4.00    (#   1236:10  Single Ambig)
 &rst
  ixpk= 1236, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 417, 400,
 &end
#
#   24 GLU  HA           27 ILE  HN          4.00    (#   1237:10  Unique         3.56, 3.73 A)
 &rst
  ixpk= 1237, nxpk= 10, iat= 385, 434, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1238    27 ILE  HN          5.00    (#   1238:10  Single Ambig)
 &rst
  ixpk= 1238, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 455, 456,1918,1919,
 &end
#
#    0 AMB  10-2:1240    27 ILE  HN          4.00    (#   1240:10  Single Ambig)
 &rst
  ixpk= 1240, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 419, 420, 419, 420,
 &end
#
#   27 ILE  HB           27 ILE  HN          4.00    (#   1241:10  Unique         2.39, 3.33 A)
 &rst
  ixpk= 1241, nxpk= 10, iat= 438, 434, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 ILE  HG1-         27 ILE  HN          3.00    (#   1242:10  Unique         1.94, 2.23 A)
 &rst
  ixpk= 1242, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 444, 445,
 &end
#
#   27 ILE  HG1+         27 ILE  HN          3.00    (#   1243:10  Unique         1.94, 2.23 A)
 &rst
  ixpk= 1243, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 444, 445,
 &end
#
#   27 ILE  QG2          27 ILE  HN          4.00    (#   1244:10  Unique         3.74, 4.29 A)
 &rst
  ixpk= 1244, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 440, 441, 442,
 &end
#
#    0 AMB  10-2:1245    27 ILE  HN          4.00    (#   1245:10  Single Ambig)
 &rst
  ixpk= 1245, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 447, 448, 449, 335, 336, 337, 339, 340, 341,
 &end
#
#   63 ASN  HN           63 ASN  HD2+        5.00    (#   1246:10  Unique         1.94, 3.01 A)
 &rst
  ixpk= 1246, nxpk= 10, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1036,1037,
 &end
#
#   32 THR  HA           63 ASN  HD2+        5.00    (#   1247:10  Unique         2.19, 3.93 A)
 &rst
  ixpk= 1247, nxpk= 10, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1036,1037,
 &end
#
#   32 THR  MG2          63 ASN  HD2+        5.00    (#   1248:10  Unique         3.56, 6.12 A)
 &rst
  ixpk= 1248, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 517, 518, 519,
 igr2=1036,1037,
 &end
#
#   32 THR  HG1          63 ASN  HD2+        5.00    (#   1250:10  Unique         2.41, 3.89 A)
 &rst
  ixpk= 1250, nxpk= 10, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1036,1037,
 &end
#
#   26 LEU  HA           63 ASN  HD2+        4.00    (#   1251:10  Unique         4.04, 4.47 A)
 &rst
  ixpk= 1251, nxpk= 10, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1036,1037,
 &end
#
#   63 ASN  HB-          63 ASN  HD2+        4.00    (#   1252:10  Unique         2.11, 3.27 A)
 &rst
  ixpk= 1252, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1031,1032,
 igr2=1036,1037,
 &end
#
#   63 ASN  HB+          63 ASN  HD2+        4.00    (#   1253:10  Unique         2.11, 3.27 A)
 &rst
  ixpk= 1253, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1031,1032,
 igr2=1036,1037,
 &end
#
#   26 LEU  HB+          63 ASN  HD2+        5.00    (#   1254:10  Unique         4.32, 5.93 A)
 &rst
  ixpk= 1254, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 419, 420,
 igr2=1036,1037,
 &end
#
#    0 AMB  10-2:1255     0 AMB  10-1:1255   4.00    (#   1255:10  Double Ambig)
 &rst
  ixpk= 1255, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 424, 425, 426, 428, 429, 430,1017,1018,1019,1021,
      1022,1023,
 igr2=1036,1037,1036,1037,
 &end
#
#  144 LEU  HN          141 ASN  HN          5.00    (#   1256:10  Unique         4.66, 4.98 A)
 &rst
  ixpk= 1256, nxpk= 10, iat=2285,2231, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  142 ARG  HN          141 ASN  HN          3.00    (#   1257:10  Unique         2.41, 2.56 A)
 &rst
  ixpk= 1257, nxpk= 10, iat=2245,2231, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  141 ASN  HD2+        141 ASN  HN          4.00    (#   1258:10  Unique         2.35, 3.85 A)
 &rst
  ixpk= 1258, nxpk= 10, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2240,2241,
 &end
#
#  141 ASN  HA          141 ASN  HN          3.00    (#   1259:10  Unique         2.73, 2.78 A)
 &rst
  ixpk= 1259, nxpk= 10, iat=2233,2231, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  138 LYS  HA          141 ASN  HN          4.00    (#   1260:10  Unique         2.86, 3.12 A)
 &rst
  ixpk= 1260, nxpk= 10, iat=2171,2231, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  137 GLU  HA          141 ASN  HN          5.00    (#   1261:10  Unique         4.46, 4.72 A)
 &rst
  ixpk= 1261, nxpk= 10, iat=2156,2231, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  140 VAL  HA          141 ASN  HN          4.00    (#   1262:10  Unique         3.51, 3.59 A)
 &rst
  ixpk= 1262, nxpk= 10, iat=2217,2231, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  141 ASN  HB-         141 ASN  HN          3.00    (#   1263:10  Unique         2.13, 3.02 A)
 &rst
  ixpk= 1263, nxpk= 10, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2235,2236,
 &end
#
#  141 ASN  HB+         141 ASN  HN          3.00    (#   1264:10  Unique         2.13, 3.02 A)
 &rst
  ixpk= 1264, nxpk= 10, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2235,2236,
 &end
#
#    0 AMB  10-2:1265   141 ASN  HN          5.00    (#   1265:10  Single Ambig)
 &rst
  ixpk= 1265, nxpk= 10, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=2249,2250,2161,2162,2273,
 &end
#
#  140 VAL  HB          141 ASN  HN          3.00    (#   1267:10  Unique         2.27, 3.06 A)
 &rst
  ixpk= 1267, nxpk= 10, iat=2219,2231, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  140 VAL  MGX         141 ASN  HN          4.00    (#   1268:10  Unique         2.07, 4.34 A)
 &rst
  ixpk= 1268, nxpk= 10, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#   85 ALA  HN           84 THR  HN          3.00    (#   1270:10  Unique         2.62, 2.86 A)
 &rst
  ixpk= 1270, nxpk= 10, iat=1365,1351, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   83 GLU  HN           84 THR  HN          3.00    (#   1271:10  Unique         2.47, 2.66 A)
 &rst
  ixpk= 1271, nxpk= 10, iat=1336,1351, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   83 GLU  HB-          84 THR  HN          3.00    (#   1273:10  Unique         2.39, 3.13 A)
 &rst
  ixpk= 1273, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1340,1341,
 &end
#
#   84 THR  MG2          84 THR  HN          4.00    (#   1274:10  Unique         3.79, 4.33 A)
 &rst
  ixpk= 1274, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1357,1358,1359,
 &end
#
#   84 THR  HB           84 THR  HN          3.00    (#   1276:10  Unique         1.97, 2.14 A)
 &rst
  ixpk= 1276, nxpk= 10, iat=1355,1351, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 THR  HA           84 THR  HN          3.00    (#   1277:10  Unique         2.71, 2.76 A)
 &rst
  ixpk= 1277, nxpk= 10, iat=1353,1351, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   83 GLU  HA           84 THR  HN          4.00    (#   1278:10  Unique         3.55, 3.62 A)
 &rst
  ixpk= 1278, nxpk= 10, iat=1338,1351, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 ILE  HA           84 THR  HN          5.00    (#   1279:10  Unique         3.23, 3.49 A)
 &rst
  ixpk= 1279, nxpk= 10, iat=1297,1351, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 GLU  HB+          84 THR  HN          5.00    (#   1280:10  Unique         2.39, 3.13 A)
 &rst
  ixpk= 1280, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1340,1341,
 &end
#
#    0 AMB  10-2:1281    84 THR  HN          5.00    (#   1281:10  Single Ambig)
 &rst
  ixpk= 1281, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1318,1319, 639,
 &end
#
#   39 ILE  QG2          84 THR  HN          5.00    (#   1282:10  Unique         5.09, 6.23 A)
 &rst
  ixpk= 1282, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 641, 642, 643,
 &end
#
#  144 LEU  HN          146 GLU  HN          4.00    (#   1289:10  Unique         3.48, 3.74 A)
 &rst
  ixpk= 1289, nxpk= 10, iat=2285,2314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  147 THR  HN          146 GLU  HN          4.00    (#   1290:10  Unique         1.85, 2.19 A)
 &rst
  ixpk= 1290, nxpk= 10, iat=2329,2314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1294   146 GLU  HN          3.00    (#   1294:10  Single Ambig)
 &rst
  ixpk= 1294, nxpk= 10, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2316,2306,
 &end
#
#    0 AMB  10-2:1296   146 GLU  HN          4.00    (#   1296:10  Single Ambig)
 &rst
  ixpk= 1296, nxpk= 10, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2287,2247,
 &end
#
#  143 VAL  HA          146 GLU  HN          4.00    (#   1297:10  Unique         3.00, 3.33 A)
 &rst
  ixpk= 1297, nxpk= 10, iat=2271,2314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  146 GLU  HG-         146 GLU  HN          3.00    (#   1298:10  Unique         2.06, 3.10 A)
 &rst
  ixpk= 1298, nxpk= 10, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2321,2322,
 &end
#
#  146 GLU  HG+         146 GLU  HN          3.00    (#   1299:10  Unique         2.06, 3.10 A)
 &rst
  ixpk= 1299, nxpk= 10, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2321,2322,
 &end
#
#  146 GLU  HB-         146 GLU  HN          3.00    (#   1301:10  Unique         2.35, 3.17 A)
 &rst
  ixpk= 1301, nxpk= 10, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2318,2319,
 &end
#
#    0 AMB  10-2:1302   146 GLU  HN          5.00    (#   1302:10  Single Ambig)
 &rst
  ixpk= 1302, nxpk= 10, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2289,2290,1966,1967,
 &end
#
#  145 ALA  MB          146 GLU  HN          4.00    (#   1304:10  Unique         2.77, 4.01 A)
 &rst
  ixpk= 1304, nxpk= 10, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2308,2309,2310,
 &end
#
#    0 AMB  10-2:1305   146 GLU  HN          5.00    (#   1305:10  Single Ambig)
 &rst
  ixpk= 1305, nxpk= 10, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#  144 LEU  HN          143 VAL  HN          3.00    (#   1308:10  Unique         2.28, 2.49 A)
 &rst
  ixpk= 1308, nxpk= 10, iat=2285,2269, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  142 ARG  HN          143 VAL  HN          3.00    (#   1309:10  Unique         2.30, 2.40 A)
 &rst
  ixpk= 1309, nxpk= 10, iat=2245,2269, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1310     0 AMB  10-1:1310   3.00    (#   1310:10  Double Ambig)
 &rst
  ixpk= 1310, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=2074,2075,2271, 658, 659,
 igr2= 760,2269,1209,
 &end
#
#  140 VAL  HA          143 VAL  HN          4.00    (#   1311:10  Unique         3.14, 3.27 A)
 &rst
  ixpk= 1311, nxpk= 10, iat=2217,2269, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1312   146 GLU  HN          5.00    (#   1312:10  Single Ambig)
 &rst
  ixpk= 1312, nxpk= 10, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2347,2348,2249,2250, 501, 502,
 &end
#
#    0 AMB  10-2:1313   143 VAL  HN          3.00    (#   1313:10  Single Ambig)
 &rst
  ixpk= 1313, nxpk= 10, iat=  -1,2269, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#    0 AMB  10-2:1314   143 VAL  HN          4.00    (#   1314:10  Single Ambig)
 &rst
  ixpk= 1314, nxpk= 10, iat=  -1,2269, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1838,1839,1840,1842,1843,1844,2294,2295,2296,2298,
      2299,2300,
 &end
#
#  140 VAL  MGY         143 VAL  HN          5.00    (#   1316:10  Unique         4.49, 5.75 A)
 &rst
  ixpk= 1316, nxpk= 10, iat=  -1,2269, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#    0 AMB  10-2:1317     0 AMB  10-1:1317   4.00    (#   1317:10  Double Ambig)
 &rst
  ixpk= 1317, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1175,1176,2247, 695,
 igr2=1209,2269, 760,
 &end
#
#    0 AMB  10-2:1318     0 AMB  10-1:1318   3.00    (#   1318:10  Double Ambig)
 &rst
  ixpk= 1318, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=2273,2249,2250, 749, 750,
 igr2=2269, 760,
 &end
#
#    0 AMB  10-2:1320     0 AMB  10-1:1320   4.00    (#   1320:10  Double Ambig)
 &rst
  ixpk= 1320, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,1230,1231,1232,1234,1235,1236,
 igr2=2269,1209,
 &end
#
#   71 ARG  HN           75 ASP  HN          5.00    (#   1322:10  Unique         4.68, 5.02 A)
 &rst
  ixpk= 1322, nxpk= 10, iat=1147,1209, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 THR  HG1          63 ASN  HD2-        5.00    (#   1324:10  Unique         2.41, 3.89 A)
 &rst
  ixpk= 1324, nxpk= 10, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1036,1037,
 &end
#
#   32 THR  HA           63 ASN  HD2-        5.00    (#   1325:10  Unique         2.19, 3.93 A)
 &rst
  ixpk= 1325, nxpk= 10, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1036,1037,
 &end
#
#    0 AMB  10-2:1329     0 AMB  10-1:1329   5.00    (#   1329:10  Double Ambig)
 &rst
  ixpk= 1329, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 485, 486, 482, 483,
 igr2=1036,1037,1036,1037,
 &end
#
#   30 LYS  HB+          63 ASN  HD2+        4.00    (#   1330:10  Unique         2.18, 3.69 A)
 &rst
  ixpk= 1330, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 479, 480,
 igr2=1036,1037,
 &end
#
#   30 LYS  HB-          63 ASN  HD2+        4.00    (#   1331:10  Unique         2.18, 3.69 A)
 &rst
  ixpk= 1331, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 479, 480,
 igr2=1036,1037,
 &end
#
#    0 AMB  10-2:1332     0 AMB  10-1:1332   5.00    (#   1332:10  Double Ambig)
 &rst
  ixpk= 1332, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 485, 486, 444, 445,
 igr2=1036,1037,1036,1037,
 &end
#
#   85 ALA  MB           84 THR  HN          5.00    (#   1333:10  Unique         4.66, 5.56 A)
 &rst
  ixpk= 1333, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1369,1370,1371,
 &end
#
#    0 AMB  10-2:1335     0 AMB  10-1:1335   4.00    (#   1335:10  Double Ambig)
 &rst
  ixpk= 1335, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 714,2233,
 igr2= 760,2269,
 &end
#
#    0 AMB  10-2:1336     0 AMB  10-1:1336   4.00    (#   1336:10  Double Ambig)
 &rst
  ixpk= 1336, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2252,2253,2252,2253,1283,1284,
 igr2=2269,1209,
 &end
#
#    0 AMB  10-2:1337   143 VAL  HN          5.00    (#   1337:10  Single Ambig)
 &rst
  ixpk= 1337, nxpk= 10, iat=  -1,2269, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=2289,2290,2308,2309,2310,1963,1964,
 &end
#
#    0 AMB  10-2:1339     0 AMB  10-1:1339   3.00    (#   1339:10  Double Ambig)
 &rst
  ixpk= 1339, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 762,1143,
 igr2= 760,1209,
 &end
#
#    0 AMB  10-2:1340     0 AMB  10-1:1340   5.00    (#   1340:10  Double Ambig)
 &rst
  ixpk= 1340, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 772,1149,
 igr2= 760,1209,
 &end
#
#    0 AMB  10-2:1342     0 AMB  10-1:1342   5.00    (#   1342:10  Double Ambig)
 &rst
  ixpk= 1342, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 725, 628, 629,
 igr2= 760,1209,
 &end
#
#   47 ALA  MB           47 ALA  HN          3.00    (#   1344:10  Unique         2.03, 2.85 A)
 &rst
  ixpk= 1344, nxpk= 10, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 764, 765, 766,
 &end
#
#    0 AMB  10-2:1345     0 AMB  10-1:1345   3.00    (#   1345:10  Double Ambig)
 &rst
  ixpk= 1345, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1197, 745,
 igr2=1209, 760,
 &end
#
#   72 SER  HN           75 ASP  HN          4.00    (#   1346:10  Unique         2.97, 3.38 A)
 &rst
  ixpk= 1346, nxpk= 10, iat=1171,1209, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 LEU  HN           75 ASP  HN          3.00    (#   1347:10  Unique         2.21, 2.47 A)
 &rst
  ixpk= 1347, nxpk= 10, iat=1221,1209, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   75 ASP  HB+          75 ASP  HN          3.00    (#   1350:10  Unique         2.04, 3.06 A)
 &rst
  ixpk= 1350, nxpk= 10, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1213,1214,
 &end
#
#   75 ASP  HB-          75 ASP  HN          3.00    (#   1351:10  Unique         2.04, 3.06 A)
 &rst
  ixpk= 1351, nxpk= 10, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1213,1214,
 &end
#
#   74 ASP  HB+          75 ASP  HN          4.00    (#   1352:10  Unique         2.20, 2.99 A)
 &rst
  ixpk= 1352, nxpk= 10, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1201,1202,
 &end
#
#   74 ASP  HB-          75 ASP  HN          4.00    (#   1353:10  Unique         2.20, 2.99 A)
 &rst
  ixpk= 1353, nxpk= 10, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1201,1202,
 &end
#
#    0 AMB  10-2:1354     0 AMB  10-1:1354   4.00    (#   1354:10  Double Ambig)
 &rst
  ixpk= 1354, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 752, 753,2321,2322, 808, 809,
 igr2= 760,2269,
 &end
#
#    0 AMB  10-2:1355     0 AMB  10-1:1355   5.00    (#   1355:10  Double Ambig)
 &rst
  ixpk= 1355, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=1228,1283,1284, 733, 734,
 igr2=1209, 760,
 &end
#
#   62 LEU  HN           60 ASP  HN          5.00    (#   1356:10  Unique         2.30, 3.87 A)
 &rst
  ixpk= 1356, nxpk= 10, iat=1008, 979, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 TYR  HA           60 ASP  HN          4.00    (#   1357:10  Unique         2.84, 3.09 A)
 &rst
  ixpk= 1357, nxpk= 10, iat= 943, 979, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   60 ASP  HA           60 ASP  HN          3.00    (#   1358:10  Unique         2.75, 2.89 A)
 &rst
  ixpk= 1358, nxpk= 10, iat= 981, 979, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1361    60 ASP  HN          4.00    (#   1361:10  Single Ambig)
 &rst
  ixpk= 1361, nxpk= 10, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 969, 970, 966, 967, 998, 999,
 &end
#
#   59 GLN  HB-          60 ASP  HN          4.00    (#   1362:10  Unique         3.12, 4.19 A)
 &rst
  ixpk= 1362, nxpk= 10, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 966, 967,
 &end
#
#   61 GLN  HN           60 ASP  HN          3.00    (#   1363:10  Unique         1.76, 2.25 A)
 &rst
  ixpk= 1363, nxpk= 10, iat= 991, 979, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   59 GLN  HN           60 ASP  HN          4.00    (#   1364:10  Unique         2.24, 2.72 A)
 &rst
  ixpk= 1364, nxpk= 10, iat= 962, 979, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GLN  HA           60 ASP  HN          4.00    (#   1366:10  Unique         2.74, 3.38 A)
 &rst
  ixpk= 1366, nxpk= 10, iat= 964, 979, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1367    60 ASP  HN          3.00    (#   1367:10  Single Ambig)
 &rst
  ixpk= 1367, nxpk= 10, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 983, 984, 983, 984,
 &end
#
#    0 AMB  10-2:1368    60 ASP  HN          4.00    (#   1368:10  Single Ambig)
 &rst
  ixpk= 1368, nxpk= 10, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 969, 970, 945, 946,
 &end
#
#   99 ASP  HB-          99 ASP  HN          4.00    (#   1370:10  Unique         2.04, 2.93 A)
 &rst
  ixpk= 1370, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1575,1576,
 &end
#
#  100 HIS  HN           99 ASP  HN          3.00    (#   1371:10  Unique         1.80, 2.34 A)
 &rst
  ixpk= 1371, nxpk= 10, iat=1583,1571, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   98 SER  HN           99 ASP  HN          5.00    (#   1372:10  Unique         2.34, 2.93 A)
 &rst
  ixpk= 1372, nxpk= 10, iat=1560,1571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  100 HIS  HA           99 ASP  HN          5.00    (#   1375:10  Unique         3.67, 4.24 A)
 &rst
  ixpk= 1375, nxpk= 10, iat=1585,1571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  111 VAL  HN          110 TYR  HN          4.00    (#   1379:10  Unique         1.76, 2.82 A)
 &rst
  ixpk= 1379, nxpk= 10, iat=1750,1729, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  108 ASN  HD2-        110 TYR  HN          4.00    (#   1380:10  Unique         1.95, 3.47 A)
 &rst
  ixpk= 1380, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1709,1710,
 &end
#
#    0 AMB  10-2:1381   110 TYR  HN          5.00    (#   1381:10  Single Ambig)
 &rst
  ixpk= 1381, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1784,1785,1786,1721,1722,
 &end
#
#  109 GLU  HN          110 TYR  HN          3.00    (#   1382:10  Unique         1.77, 1.89 A)
 &rst
  ixpk= 1382, nxpk= 10, iat=1714,1729, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  108 ASN  HD2+        110 TYR  HN          4.00    (#   1386:10  Unique         1.95, 3.47 A)
 &rst
  ixpk= 1386, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1709,1710,
 &end
#
#  110 TYR  HA          110 TYR  HN          3.00    (#   1387:10  Unique         2.91, 2.94 A)
 &rst
  ixpk= 1387, nxpk= 10, iat=1731,1729, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  108 ASN  HA          110 TYR  HN          4.00    (#   1390:10  Unique         3.44, 3.79 A)
 &rst
  ixpk= 1390, nxpk= 10, iat=1702,1729, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  109 GLU  HA          110 TYR  HN          4.00    (#   1391:10  Unique         2.79, 2.96 A)
 &rst
  ixpk= 1391, nxpk= 10, iat=1716,1729, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  110 TYR  HB-         110 TYR  HN          3.00    (#   1392:10  Unique         3.01, 3.38 A)
 &rst
  ixpk= 1392, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1733,1734,
 &end
#
#  110 TYR  HB+         110 TYR  HN          3.00    (#   1393:10  Unique         3.01, 3.38 A)
 &rst
  ixpk= 1393, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1733,1734,
 &end
#
#  109 GLU  HG-         110 TYR  HN          5.00    (#   1394:10  Unique         4.48, 5.10 A)
 &rst
  ixpk= 1394, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1721,1722,
 &end
#
#    0 AMB  10-2:1395   110 TYR  HN          4.00    (#   1395:10  Single Ambig)
 &rst
  ixpk= 1395, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1718,1719,2041,2042,2043,
 &end
#
#   14 LYS  HN           15 ALA  HN          4.00    (#   1396:10  Unique         2.89, 3.32 A)
 &rst
  ixpk= 1396, nxpk= 10, iat= 218, 240, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   96 VAL  HB           15 ALA  HN          5.00    (#   1397:10  Unique         2.19, 4.21 A)
 &rst
  ixpk= 1397, nxpk= 10, iat=1536, 240, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 ALA  MB           15 ALA  HN          4.00    (#   1398:10  Unique         2.39, 3.13 A)
 &rst
  ixpk= 1398, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 244, 245, 246,
 &end
#
#   96 VAL  MGX          15 ALA  HN          5.00    (#   1399:10  Unique         1.89, 3.97 A)
 &rst
  ixpk= 1399, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1538,1539,1540,1542,1543,1544,
 &end
#
#   96 VAL  MGY          15 ALA  HN          5.00    (#   1400:10  Unique         1.89, 3.97 A)
 &rst
  ixpk= 1400, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1538,1539,1540,1542,1543,1544,
 &end
#
#   96 VAL  HN           15 ALA  HN          5.00    (#   1401:10  Unique         3.93, 4.23 A)
 &rst
  ixpk= 1401, nxpk= 10, iat=1532, 240, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1402    15 ALA  HN          4.00    (#   1402:10  Single Ambig)
 &rst
  ixpk= 1402, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 242, 220,
 &end
#
#   55 ARG  HA           56 ASP  HN          4.00    (#   1404:10  Unique         3.64, 3.65 A)
 &rst
  ixpk= 1404, nxpk= 10, iat= 885, 907, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1405    56 ASP  HN          5.00    (#   1405:10  Single Ambig)
 &rst
  ixpk= 1405, nxpk= 10, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 926, 927,1047,1048,1049,1051,1052,1053,
 &end
#
#   14 LYS  HB+          15 ALA  HN          5.00    (#   1406:10  Unique         1.91, 2.79 A)
 &rst
  ixpk= 1406, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 222, 223,
 &end
#
#    0 AMB  10-2:1408   106 PHE  HN          5.00    (#   1408:10  Single Ambig)
 &rst
  ixpk= 1408, nxpk= 10, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1700, 148,
 &end
#
#    0 AMB  10-2:1409   106 PHE  HN          3.00    (#   1409:10  Single Ambig)
 &rst
  ixpk= 1409, nxpk= 10, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1685,1655,
 &end
#
#  104 ASP  HA          106 PHE  HN          5.00    (#   1411:10  Unique         4.69, 4.88 A)
 &rst
  ixpk= 1411, nxpk= 10, iat=1645,1665, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  105 ALA  HA          106 PHE  HN          4.00    (#   1412:10  Unique         3.58, 3.61 A)
 &rst
  ixpk= 1412, nxpk= 10, iat=1657,1665, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  106 PHE  HA          106 PHE  HN          3.00    (#   1413:10  Unique         2.84, 2.91 A)
 &rst
  ixpk= 1413, nxpk= 10, iat=1667,1665, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1414   106 PHE  HN          4.00    (#   1414:10  Single Ambig)
 &rst
  ixpk= 1414, nxpk= 10, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1631,1687,
 &end
#
#  103 THR  HB          106 PHE  HN          5.00    (#   1415:10  Unique         5.55, 5.95 A)
 &rst
  ixpk= 1415, nxpk= 10, iat=1633,1665, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 PHE  HB-         106 PHE  HN          3.00    (#   1416:10  Unique         2.11, 2.74 A)
 &rst
  ixpk= 1416, nxpk= 10, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1669,1670,
 &end
#
#  106 PHE  HB+         106 PHE  HN          3.00    (#   1417:10  Unique         2.11, 2.74 A)
 &rst
  ixpk= 1417, nxpk= 10, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1669,1670,
 &end
#
#    0 AMB  10-2:1418   106 PHE  HN          5.00    (#   1418:10  Single Ambig)
 &rst
  ixpk= 1418, nxpk= 10, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1689,1690,1704,1705,
 &end
#
#  105 ALA  MB          106 PHE  HN          3.00    (#   1419:10  Unique         2.24, 3.41 A)
 &rst
  ixpk= 1419, nxpk= 10, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1659,1660,1661,
 &end
#
#   60 ASP  HN           61 GLN  HN          3.00    (#   1420:10  Unique         1.76, 2.25 A)
 &rst
  ixpk= 1420, nxpk= 10, iat= 979, 991, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 LEU  HN           61 GLN  HN          3.00    (#   1421:10  Unique         1.88, 2.01 A)
 &rst
  ixpk= 1421, nxpk= 10, iat=1008, 991, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   59 GLN  HE2-         61 GLN  HN          5.00    (#   1422:10  Unique         4.09, 5.43 A)
 &rst
  ixpk= 1422, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 974, 975,
 &end
#
#   58 TYR  HA           61 GLN  HN          4.00    (#   1424:10  Unique         3.25, 3.54 A)
 &rst
  ixpk= 1424, nxpk= 10, iat= 943, 991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   60 ASP  HA           61 GLN  HN          4.00    (#   1426:10  Unique         3.07, 3.25 A)
 &rst
  ixpk= 1426, nxpk= 10, iat= 981, 991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   61 GLN  HA           61 GLN  HN          3.00    (#   1427:10  Unique         2.86, 2.91 A)
 &rst
  ixpk= 1427, nxpk= 10, iat= 993, 991, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   59 GLN  HA           61 GLN  HN          4.00    (#   1428:10  Unique         3.54, 3.71 A)
 &rst
  ixpk= 1428, nxpk= 10, iat= 964, 991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   58 TYR  HB-          61 GLN  HN          5.00    (#   1429:10  Unique         2.22, 3.62 A)
 &rst
  ixpk= 1429, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 945, 946,
 &end
#
#    0 AMB  10-2:1430    61 GLN  HN          4.00    (#   1430:10  Single Ambig)
 &rst
  ixpk= 1430, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 983, 984, 983, 984,
 &end
#
#   58 TYR  HB+          61 GLN  HN          5.00    (#   1431:10  Unique         2.22, 3.62 A)
 &rst
  ixpk= 1431, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 945, 946,
 &end
#
#    0 AMB  10-2:1432    61 GLN  HN          3.00    (#   1432:10  Single Ambig)
 &rst
  ixpk= 1432, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 998, 999, 995, 996,
 &end
#
#   61 GLN  HB-          61 GLN  HN          3.00    (#   1433:10  Unique         2.43, 3.08 A)
 &rst
  ixpk= 1433, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 995, 996,
 &end
#
#   62 LEU  HB+          61 GLN  HN          5.00    (#   1434:10  Unique         4.50, 5.18 A)
 &rst
  ixpk= 1434, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1012,1013,
 &end
#
#   57 LYS  HN           56 ASP  HN          3.00    (#   1435:10  Unique         2.58, 2.65 A)
 &rst
  ixpk= 1435, nxpk= 10, iat= 919, 907, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   55 ARG  HN           56 ASP  HN          4.00    (#   1436:10  Unique         2.78, 2.89 A)
 &rst
  ixpk= 1436, nxpk= 10, iat= 883, 907, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   58 TYR  HN           56 ASP  HN          5.00    (#   1438:10  Unique         4.02, 4.85 A)
 &rst
  ixpk= 1438, nxpk= 10, iat= 941, 907, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 ARG  HE           56 ASP  HN          4.00    (#   1439:10  Unique         3.02, 4.00 A)
 &rst
  ixpk= 1439, nxpk= 10, iat= 896, 907, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 ASP  HA           56 ASP  HN          3.00    (#   1440:10  Unique         2.71, 2.74 A)
 &rst
  ixpk= 1440, nxpk= 10, iat= 909, 907, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   53 GLU  HA           56 ASP  HN          4.00    (#   1441:10  Unique         3.62, 3.74 A)
 &rst
  ixpk= 1441, nxpk= 10, iat= 850, 907, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1442    56 ASP  HN          5.00    (#   1442:10  Single Ambig)
 &rst
  ixpk= 1442, nxpk= 10, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 867, 868, 820,
 &end
#
#   57 LYS  HE-          56 ASP  HN          5.00    (#   1443:10  Unique         4.48, 5.54 A)
 &rst
  ixpk= 1443, nxpk= 10, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 932, 933,
 &end
#
#   56 ASP  HB+          56 ASP  HN          3.00    (#   1444:10  Unique         2.06, 2.52 A)
 &rst
  ixpk= 1444, nxpk= 10, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 911, 912,
 &end
#
#   55 ARG  HB-          56 ASP  HN          3.00    (#   1445:10  Unique         2.09, 2.92 A)
 &rst
  ixpk= 1445, nxpk= 10, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 887, 888,
 &end
#
#   52 ASN  HA           56 ASP  HN          5.00    (#   1448:10  Unique         3.86, 4.08 A)
 &rst
  ixpk= 1448, nxpk= 10, iat= 836, 907, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 LYS  HA           56 ASP  HN          5.00    (#   1449:10  Unique         4.98, 5.11 A)
 &rst
  ixpk= 1449, nxpk= 10, iat= 921, 907, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1450    56 ASP  HN          3.00    (#   1450:10  Single Ambig)
 &rst
  ixpk= 1450, nxpk= 10, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 887, 888, 890, 891,
 &end
#
#   92 GLN  HN           91 THR  HN          3.00    (#   1451:10  Unique         1.83, 2.16 A)
 &rst
  ixpk= 1451, nxpk= 10, iat=1462,1448, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   18 ASN  HD2+         91 THR  HN          4.00    (#   1452:10  Unique         3.72, 4.45 A)
 &rst
  ixpk= 1452, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 302, 303,
 &end
#
#   91 THR  HB           91 THR  HN          5.00    (#   1454:10  Unique         3.51, 3.62 A)
 &rst
  ixpk= 1454, nxpk= 10, iat=1452,1448, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 THR  HA           91 THR  HN          4.00    (#   1455:10  Unique         2.85, 2.91 A)
 &rst
  ixpk= 1455, nxpk= 10, iat=1450,1448, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 ILE  HA           91 THR  HN          3.00    (#   1456:10  Unique         2.18, 2.23 A)
 &rst
  ixpk= 1456, nxpk= 10, iat=1431,1448, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   52 ASN  HB+          91 THR  HN          5.00    (#   1457:10  Unique         2.76, 4.47 A)
 &rst
  ixpk= 1457, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 838, 839,
 &end
#
#    0 AMB  10-2:1458    91 THR  HN          5.00    (#   1458:10  Single Ambig)
 &rst
  ixpk= 1458, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 890, 891,1433, 887, 888,
 &end
#
#   91 THR  MG2          91 THR  HN          3.00    (#   1459:10  Unique         1.91, 2.99 A)
 &rst
  ixpk= 1459, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1454,1455,1456,
 &end
#
#   90 ILE  QG2          91 THR  HN          4.00    (#   1460:10  Unique         3.05, 4.38 A)
 &rst
  ixpk= 1460, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1435,1436,1437,
 &end
#
#   52 ASN  HA           91 THR  HN          5.00    (#   1462:10  Unique         2.65, 3.51 A)
 &rst
  ixpk= 1462, nxpk= 10, iat= 836,1448, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1463   125 HIS  HN          3.00    (#   1463:10  Single Ambig)
 &rst
  ixpk= 1463, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1985,1961,
 &end
#
#  124 ARG  HN          125 HIS  HN          3.00    (#   1464:10  Unique         1.86, 2.03 A)
 &rst
  ixpk= 1464, nxpk= 10, iat=1959,1983, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  116 VAL  HN          125 HIS  HN          4.00    (#   1465:10  Unique         2.95, 3.11 A)
 &rst
  ixpk= 1465, nxpk= 10, iat=1832,1983, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  126 PHE  HN          125 HIS  HN          5.00    (#   1467:10  Unique         4.29, 4.34 A)
 &rst
  ixpk= 1467, nxpk= 10, iat=2000,1983, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1468   125 HIS  HN          5.00    (#   1468:10  Single Ambig)
 &rst
  ixpk= 1468, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1850,2002,
 &end
#
#    0 AMB  10-2:1469   125 HIS  HN          5.00    (#   1469:10  Single Ambig)
 &rst
  ixpk= 1469, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1834,1813,
 &end
#
#  123 LEU  HA          125 HIS  HN          4.00    (#   1470:10  Unique         3.60, 3.88 A)
 &rst
  ixpk= 1470, nxpk= 10, iat=1942,1983, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  125 HIS  HB-         125 HIS  HN          4.00    (#   1471:10  Unique         2.81, 3.36 A)
 &rst
  ixpk= 1471, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1987,1988,
 &end
#
#  125 HIS  HB+         125 HIS  HN          4.00    (#   1472:10  Unique         2.81, 3.36 A)
 &rst
  ixpk= 1472, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1987,1988,
 &end
#
#  116 VAL  HB          125 HIS  HN          4.00    (#   1473:10  Unique         2.55, 2.99 A)
 &rst
  ixpk= 1473, nxpk= 10, iat=1836,1983, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  124 ARG  HB+         125 HIS  HN          4.00    (#   1474:10  Unique         2.54, 3.12 A)
 &rst
  ixpk= 1474, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1963,1964,
 &end
#
#  124 ARG  HB-         125 HIS  HN          4.00    (#   1475:10  Unique         2.54, 3.12 A)
 &rst
  ixpk= 1475, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1963,1964,
 &end
#
#    0 AMB  10-2:1476   125 HIS  HN          5.00    (#   1476:10  Single Ambig)
 &rst
  ixpk= 1476, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  47,  48,1944,1945,2198,2199,
 &end
#
#  123 LEU  HG          125 HIS  HN          4.00    (#   1477:10  Unique         3.29, 3.93 A)
 &rst
  ixpk= 1477, nxpk= 10, iat=1947,1983, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1478   125 HIS  HN          5.00    (#   1478:10  Single Ambig)
 &rst
  ixpk= 1478, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  52,  53,  54,  56,  57,  58,2275,2276,2277,2279,
      2280,2281,2275,2276,2277,2279,2280,2281,
 &end
#
#    0 AMB  10-2:1479   125 HIS  HN          3.00    (#   1479:10  Single Ambig)
 &rst
  ixpk= 1479, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1838,1839,1840,1842,1843,1844,1949,1950,1951,1953,
      1954,1955,
 &end
#
#  123 LEU  MDY         125 HIS  HN          3.00    (#   1480:10  Unique         1.95, 4.54 A)
 &rst
  ixpk= 1480, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#   77 ASP  HB+          76 LEU  HN          5.00    (#   1481:10  Unique         3.73, 5.07 A)
 &rst
  ixpk= 1481, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1244,1245,
 &end
#
#   77 ASP  HN           76 LEU  HN          3.00    (#   1482:10  Unique         1.95, 2.60 A)
 &rst
  ixpk= 1482, nxpk= 10, iat=1240,1221, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   75 ASP  HN           76 LEU  HN          3.00    (#   1483:10  Unique         2.21, 2.47 A)
 &rst
  ixpk= 1483, nxpk= 10, iat=1209,1221, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1488    76 LEU  HN          5.00    (#   1488:10  Single Ambig)
 &rst
  ixpk= 1488, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1223,1199,
 &end
#
#   72 SER  HB-          76 LEU  HN          5.00    (#   1489:10  Unique         4.19, 4.93 A)
 &rst
  ixpk= 1489, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1175,1176,
 &end
#
#   75 ASP  HB+          76 LEU  HN          5.00    (#   1490:10  Unique         2.43, 3.63 A)
 &rst
  ixpk= 1490, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1213,1214,
 &end
#
#   75 ASP  HB-          76 LEU  HN          5.00    (#   1491:10  Unique         2.43, 3.63 A)
 &rst
  ixpk= 1491, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1213,1214,
 &end
#
#   77 ASP  HB-          76 LEU  HN          5.00    (#   1492:10  Unique         3.73, 5.07 A)
 &rst
  ixpk= 1492, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1244,1245,
 &end
#
#    0 AMB  10-2:1493    76 LEU  HN          5.00    (#   1493:10  Single Ambig)
 &rst
  ixpk= 1493, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1140,1141,1186,1187,
 &end
#
#   76 LEU  HB+          76 LEU  HN          3.00    (#   1494:10  Unique         1.99, 2.70 A)
 &rst
  ixpk= 1494, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1225,1226,
 &end
#
#   76 LEU  HG           76 LEU  HN          4.00    (#   1495:10  Unique         2.92, 3.45 A)
 &rst
  ixpk= 1495, nxpk= 10, iat=1228,1221, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 LEU  HB-          76 LEU  HN          3.00    (#   1496:10  Unique         1.99, 2.70 A)
 &rst
  ixpk= 1496, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1225,1226,
 &end
#
#   76 LEU  MDY          76 LEU  HN          4.00    (#   1497:10  Unique         2.67, 4.75 A)
 &rst
  ixpk= 1497, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1230,1231,1232,1234,1235,1236,
 &end
#
#   76 LEU  MDX          76 LEU  HN          4.00    (#   1498:10  Unique         2.67, 4.75 A)
 &rst
  ixpk= 1498, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1230,1231,1232,1234,1235,1236,
 &end
#
#   24 GLU  HN           25 GLN  HN          3.00    (#   1500:10  Unique         2.46, 2.81 A)
 &rst
  ixpk= 1500, nxpk= 10, iat= 383, 398, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   26 LEU  HN           25 GLN  HN          3.00    (#   1501:10  Unique         2.39, 2.41 A)
 &rst
  ixpk= 1501, nxpk= 10, iat= 415, 398, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   22 THR  HB           25 GLN  HN          5.00    (#   1503:10  Unique         2.75, 3.33 A)
 &rst
  ixpk= 1503, nxpk= 10, iat= 349, 398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GLN  HA           25 GLN  HN          3.00    (#   1504:10  Unique         2.83, 2.84 A)
 &rst
  ixpk= 1504, nxpk= 10, iat= 400, 398, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 GLU  HA           25 GLN  HN          4.00    (#   1505:10  Unique         3.60, 3.63 A)
 &rst
  ixpk= 1505, nxpk= 10, iat= 385, 398, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 GLN  HG-          25 GLN  HN          4.00    (#   1506:10  Unique         2.59, 3.44 A)
 &rst
  ixpk= 1506, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 405, 406,
 &end
#
#    0 AMB  10-2:1507    25 GLN  HN          3.00    (#   1507:10  Single Ambig)
 &rst
  ixpk= 1507, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 390, 391, 402, 403,
 &end
#
#   25 GLN  HB+          25 GLN  HN          3.00    (#   1508:10  Unique         2.07, 2.86 A)
 &rst
  ixpk= 1508, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 402, 403,
 &end
#
#   24 GLU  HB+          25 GLN  HN          4.00    (#   1509:10  Unique         3.30, 3.74 A)
 &rst
  ixpk= 1509, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 387, 388,
 &end
#
#    0 AMB  10-2:1510    25 GLN  HN          4.00    (#   1510:10  Single Ambig)
 &rst
  ixpk= 1510, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 419, 420, 422, 363, 364,
 &end
#
#   22 THR  MG2          25 GLN  HN          5.00    (#   1511:10  Unique         5.05, 5.66 A)
 &rst
  ixpk= 1511, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 351, 352, 353,
 &end
#
#   21 VAL  MGY          25 GLN  HN          5.00    (#   1512:10  Unique         3.34, 5.73 A)
 &rst
  ixpk= 1512, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 335, 336, 337, 339, 340, 341,
 &end
#
#   27 ILE  HN           25 GLN  HN          5.00    (#   1513:10  Unique         3.91, 4.09 A)
 &rst
  ixpk= 1513, nxpk= 10, iat= 434, 398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  110 TYR  HN          108 ASN  HD2-        5.00    (#   1515:10  Unique         1.95, 3.47 A)
 &rst
  ixpk= 1515, nxpk= 10, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1709,1710,
 &end
#
#  108 ASN  HB+         108 ASN  HD2-        4.00    (#   1517:10  Unique         2.11, 3.35 A)
 &rst
  ixpk= 1517, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1704,1705,
 igr2=1709,1710,
 &end
#
#   69 MET  ME          108 ASN  HD2-        3.00    (#   1518:10  Unique         1.90, 3.30 A)
 &rst
  ixpk= 1518, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1127,1128,1129,
 igr2=1709,1710,
 &end
#
#  108 ASN  HB-         108 ASN  HD2-        4.00    (#   1519:10  Unique         2.11, 3.35 A)
 &rst
  ixpk= 1519, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1704,1705,
 igr2=1709,1710,
 &end
#
#  111 VAL  MGX         108 ASN  HD2+        4.00    (#   1521:10  Unique         1.95, 4.97 A)
 &rst
  ixpk= 1521, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2=1709,1710,
 &end
#
#  110 TYR  HN          108 ASN  HD2+        5.00    (#   1522:10  Unique         1.95, 3.47 A)
 &rst
  ixpk= 1522, nxpk= 10, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1709,1710,
 &end
#
#  108 ASN  HB+         108 ASN  HD2+        4.00    (#   1524:10  Unique         2.11, 3.35 A)
 &rst
  ixpk= 1524, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1704,1705,
 igr2=1709,1710,
 &end
#
#    0 AMB  10-2:1525     0 AMB  10-1:1525   3.00    (#   1525:10  Double Ambig)
 &rst
  ixpk= 1525, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1127,1128,1129,1120,1121,
 igr2=1709,1710,1709,1710,
 &end
#
#  108 ASN  HB-         108 ASN  HD2+        4.00    (#   1526:10  Unique         2.11, 3.35 A)
 &rst
  ixpk= 1526, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1704,1705,
 igr2=1709,1710,
 &end
#
#  103 THR  MG2         108 ASN  HD2+        5.00    (#   1527:10  Unique         3.14, 5.88 A)
 &rst
  ixpk= 1527, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1635,1636,1637,
 igr2=1709,1710,
 &end
#
#  111 VAL  MGX         108 ASN  HD2-        4.00    (#   1529:10  Unique         1.95, 4.97 A)
 &rst
  ixpk= 1529, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2=1709,1710,
 &end
#
#   36 PHE  HB+         108 ASN  HD2-        5.00    (#   1530:10  Unique         1.93, 4.04 A)
 &rst
  ixpk= 1530, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 584, 585,
 igr2=1709,1710,
 &end
#
#  103 THR  MG2         108 ASN  HD2+        5.00    (#   1531:10  Unique         3.14, 5.88 A)
 &rst
  ixpk= 1531, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1635,1636,1637,
 igr2=1709,1710,
 &end
#
#  108 ASN  HD2+        108 ASN  HN          5.00    (#   1533:10  Unique         4.20, 5.08 A)
 &rst
  ixpk= 1533, nxpk= 10, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1709,1710,
 &end
#
#  106 PHE  HN            0 AMB  10-1:1534   4.00    (#   1534:10  Single Ambig)
 &rst
  ixpk= 1534, nxpk= 10, iat=1665,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1700, 148,
 &end
#
#  109 GLU  HN          108 ASN  HN          5.00    (#   1535:10  Unique         4.25, 4.52 A)
 &rst
  ixpk= 1535, nxpk= 10, iat=1714,1700, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  108 ASN  HA          108 ASN  HN          3.00    (#   1539:10  Unique         2.52, 2.61 A)
 &rst
  ixpk= 1539, nxpk= 10, iat=1702,1700, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1540   108 ASN  HN          5.00    (#   1540:10  Single Ambig)
 &rst
  ixpk= 1540, nxpk= 10, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1667,1716,
 &end
#
#  103 THR  HA          108 ASN  HN          3.00    (#   1541:10  Unique         1.65, 1.83 A)
 &rst
  ixpk= 1541, nxpk= 10, iat=1631,1700, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  103 THR  HB          108 ASN  HN          5.00    (#   1542:10  Unique         3.16, 4.13 A)
 &rst
  ixpk= 1542, nxpk= 10, iat=1633,1700, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 PHE  HB-         108 ASN  HN          4.00    (#   1543:10  Unique         2.67, 3.95 A)
 &rst
  ixpk= 1543, nxpk= 10, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1669,1670,
 &end
#
#  106 PHE  HB+         108 ASN  HN          4.00    (#   1544:10  Unique         2.67, 3.95 A)
 &rst
  ixpk= 1544, nxpk= 10, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1669,1670,
 &end
#
#  108 ASN  HB+         108 ASN  HN          3.00    (#   1545:10  Unique         2.03, 2.67 A)
 &rst
  ixpk= 1545, nxpk= 10, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1704,1705,
 &end
#
#  108 ASN  HB-         108 ASN  HN          3.00    (#   1546:10  Unique         2.03, 2.67 A)
 &rst
  ixpk= 1546, nxpk= 10, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1704,1705,
 &end
#
#    0 AMB  10-2:1547     0 AMB  10-1:1547   3.00    (#   1547:10  Double Ambig)
 &rst
  ixpk= 1547, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1635,1636,1637,1614,1615,
 igr2=1700, 148,
 &end
#
#    8 PRO  HG+           9 GLU  HN          4.00    (#   1548:10  Unique         2.20, 3.06 A)
 &rst
  ixpk= 1548, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 138, 139,
 &end
#
#   10 LEU  HN            9 GLU  HN          5.00    (#   1549:10  Unique         2.60, 3.36 A)
 &rst
  ixpk= 1549, nxpk= 10, iat= 163, 148, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 PRO  HA            9 GLU  HN          4.00    (#   1550:10  Unique         3.49, 3.53 A)
 &rst
  ixpk= 1550, nxpk= 10, iat= 144, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    9 GLU  HA            9 GLU  HN          3.00    (#   1551:10  Unique         2.80, 2.87 A)
 &rst
  ixpk= 1551, nxpk= 10, iat= 150, 148, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    9 GLU  HG+           9 GLU  HN          4.00    (#   1552:10  Unique         2.35, 3.56 A)
 &rst
  ixpk= 1552, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 155, 156,
 &end
#
#    0 AMB  10-2:1553     9 GLU  HN          3.00    (#   1553:10  Single Ambig)
 &rst
  ixpk= 1553, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 141, 142, 155, 156,
 &end
#
#    9 GLU  HB-           9 GLU  HN          3.00    (#   1554:10  Unique         2.51, 3.43 A)
 &rst
  ixpk= 1554, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 152, 153,
 &end
#
#    9 GLU  HB+           9 GLU  HN          3.00    (#   1555:10  Unique         2.51, 3.43 A)
 &rst
  ixpk= 1555, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 152, 153,
 &end
#
#    0 AMB  10-2:1556     9 GLU  HN          3.00    (#   1556:10  Single Ambig)
 &rst
  ixpk= 1556, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 141, 142,1659,1660,1661,
 &end
#
#    8 PRO  HG-           9 GLU  HN          5.00    (#   1557:10  Unique         2.20, 3.06 A)
 &rst
  ixpk= 1557, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 138, 139,
 &end
#
#  101 ALA  MB           11 THR  HN          5.00    (#   1560:10  Unique         2.47, 3.72 A)
 &rst
  ixpk= 1560, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1604,1605,1606,
 &end
#
#   11 THR  HA           11 THR  HN          4.00    (#   1561:10  Unique         2.92, 2.93 A)
 &rst
  ixpk= 1561, nxpk= 10, iat= 184, 182, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1562    11 THR  HN          5.00    (#   1562:10  Single Ambig)
 &rst
  ixpk= 1562, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 186, 198, 199,
 &end
#
#   10 LEU  MDY          11 THR  HN          5.00    (#   1563:10  Unique         4.00, 5.89 A)
 &rst
  ixpk= 1563, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 172, 173, 174, 176, 177, 178,
 &end
#
#   49 PRO  HD+          50 GLN  HN          4.00    (#   1566:10  Unique         2.25, 2.96 A)
 &rst
  ixpk= 1566, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 788, 789,
 &end
#
#    0 AMB  10-2:1567    50 GLN  HN          5.00    (#   1567:10  Single Ambig)
 &rst
  ixpk= 1567, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 855, 856, 749, 750,
 &end
#
#    0 AMB  10-2:1568    50 GLN  HN          4.00    (#   1568:10  Single Ambig)
 &rst
  ixpk= 1568, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 791, 792, 822,
 &end
#
#   19 GLY  HN           20 GLU  HN          5.00    (#   1570:10  Unique         3.26, 3.83 A)
 &rst
  ixpk= 1570, nxpk= 10, iat= 307, 314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 GLY  HA-          20 GLU  HN          3.00    (#   1571:10  Unique         2.21, 2.72 A)
 &rst
  ixpk= 1571, nxpk= 10, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 309, 310,
 &end
#
#   20 GLU  HG-          20 GLU  HN          4.00    (#   1573:10  Unique         1.92, 3.82 A)
 &rst
  ixpk= 1573, nxpk= 10, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 321, 322,
 &end
#
#   20 GLU  HB+          20 GLU  HN          3.00    (#   1574:10  Unique         2.03, 2.97 A)
 &rst
  ixpk= 1574, nxpk= 10, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 318, 319,
 &end
#
#   21 VAL  HN           20 GLU  HN          5.00    (#   1575:10  Unique         2.44, 4.20 A)
 &rst
  ixpk= 1575, nxpk= 10, iat= 329, 314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 GLY  HA+          20 GLU  HN          3.00    (#   1577:10  Unique         2.21, 2.72 A)
 &rst
  ixpk= 1577, nxpk= 10, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 309, 310,
 &end
#
#   20 GLU  HA           20 GLU  HN          4.00    (#   1578:10  Unique         2.18, 2.67 A)
 &rst
  ixpk= 1578, nxpk= 10, iat= 316, 314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 GLU  HG+          20 GLU  HN          5.00    (#   1579:10  Unique         1.92, 3.82 A)
 &rst
  ixpk= 1579, nxpk= 10, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 321, 322,
 &end
#
#   20 GLU  HB-          20 GLU  HN          3.00    (#   1580:10  Unique         2.03, 2.97 A)
 &rst
  ixpk= 1580, nxpk= 10, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 318, 319,
 &end
#
#   10 LEU  MDY          11 THR  HN          5.00    (#   1585:10  Unique         4.00, 5.89 A)
 &rst
  ixpk= 1585, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 172, 173, 174, 176, 177, 178,
 &end
#
#   11 THR  MG2          11 THR  HN          4.00    (#   1587:10  Unique         1.92, 3.01 A)
 &rst
  ixpk= 1587, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 188, 189, 190,
 &end
#
#  102 LEU  MDX          11 THR  HN          4.00    (#   1588:10  Unique         2.90, 5.83 A)
 &rst
  ixpk= 1588, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#  100 HIS  HD2          11 THR  HN          5.00    (#   1589:10  Unique         5.50, 8.00 A)
 &rst
  ixpk= 1589, nxpk= 10, iat=1596, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 LEU  HA           11 THR  HN          3.00    (#   1590:10  Unique         2.20, 2.34 A)
 &rst
  ixpk= 1590, nxpk= 10, iat= 165, 182, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   23 ARG  HN           24 GLU  HN          3.00    (#   1593:10  Unique         2.69, 2.95 A)
 &rst
  ixpk= 1593, nxpk= 10, iat= 359, 383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   26 LEU  HN           24 GLU  HN          5.00    (#   1594:10  Unique         3.43, 3.70 A)
 &rst
  ixpk= 1594, nxpk= 10, iat= 415, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GLN  HN           24 GLU  HN          3.00    (#   1595:10  Unique         2.46, 2.81 A)
 &rst
  ixpk= 1595, nxpk= 10, iat= 398, 383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   22 THR  HA           24 GLU  HN          4.00    (#   1596:10  Unique         3.89, 4.26 A)
 &rst
  ixpk= 1596, nxpk= 10, iat= 347, 383, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 THR  HB           24 GLU  HN          3.00    (#   1597:10  Unique         2.32, 2.57 A)
 &rst
  ixpk= 1597, nxpk= 10, iat= 349, 383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 GLU  HA           24 GLU  HN          3.00    (#   1599:10  Unique         2.66, 2.74 A)
 &rst
  ixpk= 1599, nxpk= 10, iat= 385, 383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 GLU  HG-          24 GLU  HN          4.00    (#   1600:10  Unique         1.93, 2.64 A)
 &rst
  ixpk= 1600, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 390, 391,
 &end
#
#   24 GLU  HG+          24 GLU  HN          4.00    (#   1601:10  Unique         1.93, 2.64 A)
 &rst
  ixpk= 1601, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 390, 391,
 &end
#
#   24 GLU  HB-          24 GLU  HN          3.00    (#   1602:10  Unique         2.40, 3.06 A)
 &rst
  ixpk= 1602, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 387, 388,
 &end
#
#   24 GLU  HB+          24 GLU  HN          3.00    (#   1603:10  Unique         2.40, 3.06 A)
 &rst
  ixpk= 1603, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 387, 388,
 &end
#
#   23 ARG  HB+          24 GLU  HN          4.00    (#   1604:10  Unique         2.67, 3.84 A)
 &rst
  ixpk= 1604, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 363, 364,
 &end
#
#   23 ARG  HG-          24 GLU  HN          4.00    (#   1605:10  Unique         1.91, 2.61 A)
 &rst
  ixpk= 1605, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 366, 367,
 &end
#
#   27 ILE  HG1-         24 GLU  HN          5.00    (#   1606:10  Unique         4.38, 4.89 A)
 &rst
  ixpk= 1606, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 444, 445,
 &end
#
#   22 THR  MG2          24 GLU  HN          4.00    (#   1607:10  Unique         3.62, 4.80 A)
 &rst
  ixpk= 1607, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 351, 352, 353,
 &end
#
#    0 AMB  10-2:1608    24 GLU  HN          5.00    (#   1608:10  Single Ambig)
 &rst
  ixpk= 1608, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 447, 448, 449, 335, 336, 337, 339, 340, 341,
 &end
#
#   52 ASN  HN           50 GLN  HN          4.00    (#   1609:10  Unique         4.00, 4.08 A)
 &rst
  ixpk= 1609, nxpk= 10, iat= 834, 801, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 VAL  HN           50 GLN  HN          3.00    (#   1610:10  Unique         2.35, 2.47 A)
 &rst
  ixpk= 1610, nxpk= 10, iat= 818, 801, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   47 ALA  HA           50 GLN  HN          4.00    (#   1611:10  Unique         2.96, 3.01 A)
 &rst
  ixpk= 1611, nxpk= 10, iat= 762, 801, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 MET  HA           50 GLN  HN          5.00    (#   1612:10  Unique         4.33, 4.52 A)
 &rst
  ixpk= 1612, nxpk= 10, iat= 772, 801, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 PRO  HA           50 GLN  HN          4.00    (#   1613:10  Unique         3.44, 3.47 A)
 &rst
  ixpk= 1613, nxpk= 10, iat= 797, 801, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   50 GLN  HA           50 GLN  HN          3.00    (#   1614:10  Unique         2.79, 2.82 A)
 &rst
  ixpk= 1614, nxpk= 10, iat= 803, 801, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   49 PRO  HD-          50 GLN  HN          4.00    (#   1615:10  Unique         2.25, 2.96 A)
 &rst
  ixpk= 1615, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 788, 789,
 &end
#
#   49 PRO  HB-          50 GLN  HN          4.00    (#   1616:10  Unique         3.20, 3.83 A)
 &rst
  ixpk= 1616, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 794, 795,
 &end
#
#    0 AMB  10-2:1617    50 GLN  HN          3.00    (#   1617:10  Single Ambig)
 &rst
  ixpk= 1617, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 808, 809, 805, 806,
 &end
#
#   50 GLN  HB+          50 GLN  HN          3.00    (#   1618:10  Unique         2.23, 2.96 A)
 &rst
  ixpk= 1618, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 805, 806,
 &end
#
#   49 PRO  HB+          50 GLN  HN          4.00    (#   1619:10  Unique         3.20, 3.83 A)
 &rst
  ixpk= 1619, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 794, 795,
 &end
#
#   51 VAL  MGY          50 GLN  HN          5.00    (#   1620:10  Unique         4.59, 6.16 A)
 &rst
  ixpk= 1620, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#   57 LYS  HN           58 TYR  HN          3.00    (#   1624:10  Unique         2.42, 2.82 A)
 &rst
  ixpk= 1624, nxpk= 10, iat= 919, 941, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   56 ASP  HN           58 TYR  HN          5.00    (#   1625:10  Unique         4.02, 4.85 A)
 &rst
  ixpk= 1625, nxpk= 10, iat= 907, 941, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 GLN  HN           58 TYR  HN          3.00    (#   1626:10  Unique         1.92, 2.64 A)
 &rst
  ixpk= 1626, nxpk= 10, iat= 962, 941, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   58 TYR  HA           58 TYR  HN          3.00    (#   1628:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 1628, nxpk= 10, iat= 943, 941, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   54 PHE  HA           58 TYR  HN          5.00    (#   1629:10  Unique         3.60, 4.41 A)
 &rst
  ixpk= 1629, nxpk= 10, iat= 865, 941, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 LYS  HA           58 TYR  HN          4.00    (#   1630:10  Unique         3.58, 3.63 A)
 &rst
  ixpk= 1630, nxpk= 10, iat= 921, 941, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   55 ARG  HA           58 TYR  HN          5.00    (#   1631:10  Unique         3.24, 3.75 A)
 &rst
  ixpk= 1631, nxpk= 10, iat= 885, 941, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 TYR  HB-          58 TYR  HN          3.00    (#   1632:10  Unique         2.19, 3.24 A)
 &rst
  ixpk= 1632, nxpk= 10, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 945, 946,
 &end
#
#   58 TYR  HB+          58 TYR  HN          3.00    (#   1633:10  Unique         2.19, 3.24 A)
 &rst
  ixpk= 1633, nxpk= 10, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 945, 946,
 &end
#
#    0 AMB  10-2:1634    58 TYR  HN          4.00    (#   1634:10  Single Ambig)
 &rst
  ixpk= 1634, nxpk= 10, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 966, 967, 969, 970,
 &end
#
#    0 AMB  10-2:1635    58 TYR  HN          5.00    (#   1635:10  Single Ambig)
 &rst
  ixpk= 1635, nxpk= 10, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 966, 967,2161,2162,
 &end
#
#   57 LYS  HB-          58 TYR  HN          4.00    (#   1636:10  Unique         2.24, 2.86 A)
 &rst
  ixpk= 1636, nxpk= 10, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 923, 924,
 &end
#
#   57 LYS  HB+          58 TYR  HN          3.00    (#   1637:10  Unique         2.24, 2.86 A)
 &rst
  ixpk= 1637, nxpk= 10, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 923, 924,
 &end
#
#    0 AMB  10-2:1638    58 TYR  HN          5.00    (#   1638:10  Single Ambig)
 &rst
  ixpk= 1638, nxpk= 10, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 926, 927,1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  10-2:1639    58 TYR  HN          5.00    (#   1639:10  Single Ambig)
 &rst
  ixpk= 1639, nxpk= 10, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 926, 927,1017,1018,1019,1021,1022,1023,
 &end
#
#  146 GLU  HN          147 THR  HN          3.00    (#   1643:10  Unique         1.85, 2.19 A)
 &rst
  ixpk= 1643, nxpk= 10, iat=2314,2329, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  147 THR  HA          147 THR  HN          3.00    (#   1648:10  Unique         2.79, 2.90 A)
 &rst
  ixpk= 1648, nxpk= 10, iat=2331,2329, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1649   147 THR  HN          4.00    (#   1649:10  Single Ambig)
 &rst
  ixpk= 1649, nxpk= 10, iat=  -1,2329, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2316,2306,
 &end
#
#  144 LEU  HA          147 THR  HN          5.00    (#   1650:10  Unique         3.18, 3.42 A)
 &rst
  ixpk= 1650, nxpk= 10, iat=2287,2329, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  146 GLU  HG+         147 THR  HN          5.00    (#   1651:10  Unique         3.12, 4.55 A)
 &rst
  ixpk= 1651, nxpk= 10, iat=  -1,2329, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2321,2322,
 &end
#
#  146 GLU  HB-         147 THR  HN          4.00    (#   1652:10  Unique         2.62, 3.97 A)
 &rst
  ixpk= 1652, nxpk= 10, iat=  -1,2329, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2318,2319,
 &end
#
#    0 AMB  10-2:1653   147 THR  HN          5.00    (#   1653:10  Single Ambig)
 &rst
  ixpk= 1653, nxpk= 10, iat=  -1,2329, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=2308,2309,2310,2289,2290,
 &end
#
#  147 THR  MG2         147 THR  HN          4.00    (#   1654:10  Unique         2.68, 4.21 A)
 &rst
  ixpk= 1654, nxpk= 10, iat=  -1,2329, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2335,2336,2337,
 &end
#
#   56 ASP  HA           58 TYR  HN          5.00    (#   1656:10  Unique         4.34, 4.75 A)
 &rst
  ixpk= 1656, nxpk= 10, iat= 909, 941, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 GLU  HA           88 HIS  HN          4.00    (#   1660:10  Unique         3.10, 3.46 A)
 &rst
  ixpk= 1660, nxpk= 10, iat=1387,1400, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ASN  HB+          18 ASN  HN          5.00    (#   1662:10  Unique         3.21, 3.74 A)
 &rst
  ixpk= 1662, nxpk= 10, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 297, 298,
 &end
#
#   88 HIS  HE1          88 HIS  HN          5.00    (#   1668:10  Unique         5.04, 5.14 A)
 &rst
  ixpk= 1668, nxpk= 10, iat=1410,1400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 ASP  HN           88 HIS  HN          3.00    (#   1669:10  Unique         1.88, 2.36 A)
 &rst
  ixpk= 1669, nxpk= 10, iat=1417,1400, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 HIS  HA           88 HIS  HN          4.00    (#   1670:10  Unique         2.80, 2.86 A)
 &rst
  ixpk= 1670, nxpk= 10, iat=1402,1400, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1671    88 HIS  HN          4.00    (#   1671:10  Single Ambig)
 &rst
  ixpk= 1671, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1377,1419,1353,
 &end
#
#   88 HIS  HB-          88 HIS  HN          4.00    (#   1672:10  Unique         2.28, 3.03 A)
 &rst
  ixpk= 1672, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1404,1405,
 &end
#
#   87 GLU  HB-          88 HIS  HN          4.00    (#   1673:10  Unique         2.86, 3.71 A)
 &rst
  ixpk= 1673, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1389,1390,
 &end
#
#   87 GLU  HB+          88 HIS  HN          4.00    (#   1674:10  Unique         2.86, 3.71 A)
 &rst
  ixpk= 1674, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1389,1390,
 &end
#
#    0 AMB  10-2:1675    88 HIS  HN          5.00    (#   1675:10  Single Ambig)
 &rst
  ixpk= 1675, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1357,1358,1359,1379,1380,1381, 781, 782, 783,
 &end
#
#   87 GLU  HN           88 HIS  HN          3.00    (#   1676:10  Unique         2.00, 2.24 A)
 &rst
  ixpk= 1676, nxpk= 10, iat=1385,1400, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 HIS  HB+          88 HIS  HN          4.00    (#   1677:10  Unique         2.28, 3.03 A)
 &rst
  ixpk= 1677, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1404,1405,
 &end
#
#   19 GLY  HN           18 ASN  HN          4.00    (#   1678:10  Unique         2.67, 3.08 A)
 &rst
  ixpk= 1678, nxpk= 10, iat= 307, 293, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 LEU  HA           18 ASN  HN          3.00    (#   1679:10  Unique         2.18, 2.21 A)
 &rst
  ixpk= 1679, nxpk= 10, iat= 276, 293, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   18 ASN  HA           18 ASN  HN          3.00    (#   1681:10  Unique         2.17, 2.20 A)
 &rst
  ixpk= 1681, nxpk= 10, iat= 295, 293, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   18 ASN  HB-          18 ASN  HN          5.00    (#   1682:10  Unique         3.21, 3.74 A)
 &rst
  ixpk= 1682, nxpk= 10, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 297, 298,
 &end
#
#    0 AMB  10-2:1683    18 ASN  HN          4.00    (#   1683:10  Single Ambig)
 &rst
  ixpk= 1683, nxpk= 10, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 278, 279, 281,
 &end
#
#   17 LEU  MDY          18 ASN  HN          4.00    (#   1684:10  Unique         1.97, 4.86 A)
 &rst
  ixpk= 1684, nxpk= 10, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#   17 LEU  HB-          18 ASN  HN          5.00    (#   1685:10  Unique         3.04, 3.95 A)
 &rst
  ixpk= 1685, nxpk= 10, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 278, 279,
 &end
#
#   91 THR  HA           18 ASN  HD2+        4.00    (#   1687:10  Unique         1.86, 2.63 A)
 &rst
  ixpk= 1687, nxpk= 10, iat=1450,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 302, 303,
 &end
#
#   18 ASN  HB-          18 ASN  HD2+        4.00    (#   1688:10  Unique         2.11, 3.22 A)
 &rst
  ixpk= 1688, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 297, 298,
 igr2= 302, 303,
 &end
#
#   94 ILE  HG1+         18 ASN  HD2+        5.00    (#   1689:10  Unique         2.04, 4.49 A)
 &rst
  ixpk= 1689, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1503,1504,
 igr2= 302, 303,
 &end
#
#    0 AMB  10-2:1690     0 AMB  10-1:1690   4.00    (#   1690:10  Double Ambig)
 &rst
  ixpk= 1690, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1506,1507,1508, 283, 284, 285, 287, 288, 289,
 igr2= 302, 303, 302, 303,
 &end
#
#    0 AMB  10-2:1691     0 AMB  10-1:1691   5.00    (#   1691:10  Double Ambig)
 &rst
  ixpk= 1691, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 295,1452,
 igr2= 302, 303, 302, 303,
 &end
#
#   18 ASN  HB+          18 ASN  HD2+        4.00    (#   1692:10  Unique         2.11, 3.22 A)
 &rst
  ixpk= 1692, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 297, 298,
 igr2= 302, 303,
 &end
#
#    0 AMB  10-2:1695    18 ASN  HD2-        5.00    (#   1695:10  Single Ambig)
 &rst
  ixpk= 1695, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 295,1452,
 igr2= 302, 303,
 &end
#
#   91 THR  HA           18 ASN  HD2-        3.00    (#   1696:10  Unique         1.86, 2.63 A)
 &rst
  ixpk= 1696, nxpk= 10, iat=1450,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 302, 303,
 &end
#
#   18 ASN  HB-          18 ASN  HD2-        4.00    (#   1697:10  Unique         2.11, 3.22 A)
 &rst
  ixpk= 1697, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 297, 298,
 igr2= 302, 303,
 &end
#
#   18 ASN  HB+          18 ASN  HD2-        4.00    (#   1698:10  Unique         2.11, 3.22 A)
 &rst
  ixpk= 1698, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 297, 298,
 igr2= 302, 303,
 &end
#
#   94 ILE  HG1+         18 ASN  HD2-        5.00    (#   1699:10  Unique         2.04, 4.49 A)
 &rst
  ixpk= 1699, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1503,1504,
 igr2= 302, 303,
 &end
#
#    0 AMB  10-2:1700    18 ASN  HD2-        4.00    (#   1700:10  Single Ambig)
 &rst
  ixpk= 1700, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1506,1507,1508, 283, 284, 285, 287, 288, 289,
 igr2= 302, 303,
 &end
#
#   90 ILE  QG2          18 ASN  HD2-        5.00    (#   1701:10  Unique         2.36, 5.20 A)
 &rst
  ixpk= 1701, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1435,1436,1437,
 igr2= 302, 303,
 &end
#
#  100 HIS  HD2         100 HIS  HN          4.00    (#   1704:10  Unique         2.35, 3.38 A)
 &rst
  ixpk= 1704, nxpk= 10, iat=1596,1583, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  100 HIS  HB+         100 HIS  HN          4.00    (#   1705:10  Unique         2.94, 3.78 A)
 &rst
  ixpk= 1705, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1587,1588,
 &end
#
#   99 ASP  HB-         100 HIS  HN          5.00    (#   1706:10  Unique         2.10, 3.16 A)
 &rst
  ixpk= 1706, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1575,1576,
 &end
#
#  101 ALA  MB          100 HIS  HN          5.00    (#   1708:10  Unique         4.26, 5.53 A)
 &rst
  ixpk= 1708, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1604,1605,1606,
 &end
#
#   99 ASP  HN          100 HIS  HN          3.00    (#   1709:10  Unique         1.80, 2.34 A)
 &rst
  ixpk= 1709, nxpk= 10, iat=1571,1583, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  101 ALA  HN          100 HIS  HN          4.00    (#   1710:10  Unique         2.52, 3.00 A)
 &rst
  ixpk= 1710, nxpk= 10, iat=1600,1583, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  100 HIS  HA          100 HIS  HN          3.00    (#   1711:10  Unique         2.19, 2.28 A)
 &rst
  ixpk= 1711, nxpk= 10, iat=1585,1583, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1712   100 HIS  HN          5.00    (#   1712:10  Single Ambig)
 &rst
  ixpk= 1712, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 198, 199,1602,
 &end
#
#    0 AMB  10-2:1713   100 HIS  HN          5.00    (#   1713:10  Single Ambig)
 &rst
  ixpk= 1713, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1591,1562,1524,
 &end
#
#  100 HIS  HB-         100 HIS  HN          4.00    (#   1715:10  Unique         2.94, 3.78 A)
 &rst
  ixpk= 1715, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1587,1588,
 &end
#
#   98 SER  HA           98 SER  HN          4.00    (#   1716:10  Unique         2.21, 2.70 A)
 &rst
  ixpk= 1716, nxpk= 10, iat=1562,1560, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  123 LEU  HN            4 ARG  HN          5.00    (#   1718:10  Unique         3.44, 4.01 A)
 &rst
  ixpk= 1718, nxpk= 10, iat=1940,  62, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 GLN  HN            4 ARG  HN          4.00    (#   1719:10  Unique         1.77, 2.58 A)
 &rst
  ixpk= 1719, nxpk= 10, iat=  86,  62, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3 LEU  HA            4 ARG  HN          3.00    (#   1720:10  Unique         2.23, 2.49 A)
 &rst
  ixpk= 1720, nxpk= 10, iat=  45,  62, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    4 ARG  HA            4 ARG  HN          3.00    (#   1721:10  Unique         2.16, 2.23 A)
 &rst
  ixpk= 1721, nxpk= 10, iat=  64,  62, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1722     4 ARG  HN          5.00    (#   1722:10  Single Ambig)
 &rst
  ixpk= 1722, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  72,  73,  72,  73,
 &end
#
#    4 ARG  HB-           4 ARG  HN          4.00    (#   1723:10  Unique         2.92, 3.76 A)
 &rst
  ixpk= 1723, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  66,  67,
 &end
#
#    0 AMB  10-2:1724     4 ARG  HN          4.00    (#   1724:10  Single Ambig)
 &rst
  ixpk= 1724, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  66,  67,1930,1931,1927,1928,
 &end
#
#  123 LEU  HB-           4 ARG  HN          4.00    (#   1725:10  Unique         1.92, 3.30 A)
 &rst
  ixpk= 1725, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1944,1945,
 &end
#
#    3 LEU  HB+           4 ARG  HN          4.00    (#   1726:10  Unique         2.39, 3.19 A)
 &rst
  ixpk= 1726, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  47,  48,
 &end
#
#    4 ARG  HG-           4 ARG  HN          4.00    (#   1727:10  Unique         2.38, 3.42 A)
 &rst
  ixpk= 1727, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  69,  70,
 &end
#
#  123 LEU  HG            4 ARG  HN          5.00    (#   1728:10  Unique         3.03, 4.08 A)
 &rst
  ixpk= 1728, nxpk= 10, iat=1947,  62, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 LEU  MDY           4 ARG  HN          4.00    (#   1729:10  Unique         3.92, 5.35 A)
 &rst
  ixpk= 1729, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#  124 ARG  HA            4 ARG  HN          5.00    (#   1730:10  Unique         3.46, 4.56 A)
 &rst
  ixpk= 1730, nxpk= 10, iat=1961,  62, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 ARG  HG+           4 ARG  HN          4.00    (#   1732:10  Unique         2.38, 3.42 A)
 &rst
  ixpk= 1732, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  69,  70,
 &end
#
#    0 AMB  10-2:1733     4 ARG  HN          4.00    (#   1733:10  Single Ambig)
 &rst
  ixpk= 1733, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1944,1945,  47,  48,
 &end
#
#    3 LEU  MDX           4 ARG  HN          5.00    (#   1734:10  Unique         3.92, 5.35 A)
 &rst
  ixpk= 1734, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#  117 PHE  HN           32 THR  HN          4.00    (#   1735:10  Unique         2.94, 3.21 A)
 &rst
  ixpk= 1735, nxpk= 10, iat=1848, 511, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 THR  HA           32 THR  HN          4.00    (#   1736:10  Unique         2.93, 2.94 A)
 &rst
  ixpk= 1736, nxpk= 10, iat= 513, 511, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  118 ASP  HA           32 THR  HN          5.00    (#   1737:10  Unique         4.12, 4.44 A)
 &rst
  ixpk= 1737, nxpk= 10, iat=1870, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 PHE  HB+          32 THR  HN          5.00    (#   1738:10  Unique         2.41, 3.19 A)
 &rst
  ixpk= 1738, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1852,1853,
 &end
#
#   31 PRO  HB-          32 THR  HN          4.00    (#   1739:10  Unique         2.82, 3.25 A)
 &rst
  ixpk= 1739, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 504, 505,
 &end
#
#    7 MET  ME           32 THR  HN          5.00    (#   1740:10  Unique         3.62, 5.06 A)
 &rst
  ixpk= 1740, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 128, 129, 130,
 &end
#
#   32 THR  MG2          32 THR  HN          4.00    (#   1741:10  Unique         3.74, 4.41 A)
 &rst
  ixpk= 1741, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 517, 518, 519,
 &end
#
#   32 THR  HG1          32 THR  HN          4.00    (#   1743:10  Unique         3.30, 3.70 A)
 &rst
  ixpk= 1743, nxpk= 10, iat= 521, 511, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1744    32 THR  HN          5.00    (#   1744:10  Single Ambig)
 &rst
  ixpk= 1744, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1834,1029,
 &end
#
#   31 PRO  HA           32 THR  HN          3.00    (#   1746:10  Unique         2.26, 2.34 A)
 &rst
  ixpk= 1746, nxpk= 10, iat= 507, 511, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   32 THR  HB           32 THR  HN          3.00    (#   1748:10  Unique         2.18, 2.31 A)
 &rst
  ixpk= 1748, nxpk= 10, iat= 515, 511, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  117 PHE  HB-          32 THR  HN          4.00    (#   1749:10  Unique         2.41, 3.19 A)
 &rst
  ixpk= 1749, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1852,1853,
 &end
#
#    0 AMB  10-2:1750    32 THR  HN          3.00    (#   1750:10  Single Ambig)
 &rst
  ixpk= 1750, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 504, 505,1012,1013,
 &end
#
#    0 AMB  10-2:1751    32 THR  HN          5.00    (#   1751:10  Single Ambig)
 &rst
  ixpk= 1751, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#    0 AMB  10-2:1752    32 THR  HN          4.00    (#   1752:10  Single Ambig)
 &rst
  ixpk= 1752, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1017,1018,1019,1021,1022,1023, 424, 425, 426, 428,
       429, 430,
 &end
#
#    0 AMB  10-2:1756     5 GLN  HE2-        5.00    (#   1756:10  Single Ambig)
 &rst
  ixpk= 1756, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  88,  23,
 igr2=  98,  99,
 &end
#
#    1 MET  HA            5 GLN  HE2-        5.00    (#   1757:10  Unique         1.85, 3.83 A)
 &rst
  ixpk= 1757, nxpk= 10, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  98,  99,
 &end
#
#    5 GLN  HG+           5 GLN  HE2-        3.00    (#   1758:10  Unique         2.59, 3.59 A)
 &rst
  ixpk= 1758, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  93,  94,
 igr2=  98,  99,
 &end
#
#    5 GLN  HB-           5 GLN  HE2-        5.00    (#   1759:10  Unique         1.76, 2.97 A)
 &rst
  ixpk= 1759, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  90,  91,
 igr2=  98,  99,
 &end
#
#    0 AMB  10-2:1760     5 GLN  HE2-        5.00    (#   1760:10  Single Ambig)
 &rst
  ixpk= 1760, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  15,  16,  17,1659,1660,1661,
 igr2=  98,  99,
 &end
#
#    5 GLN  HN            5 GLN  HE2+        4.00    (#   1768:10  Unique         2.88, 4.75 A)
 &rst
  ixpk= 1768, nxpk= 10, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  98,  99,
 &end
#
#    1 MET  HA            5 GLN  HE2+        5.00    (#   1772:10  Unique         1.85, 3.83 A)
 &rst
  ixpk= 1772, nxpk= 10, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  98,  99,
 &end
#
#    0 AMB  10-2:1773     0 AMB  10-1:1773   3.00    (#   1773:10  Double Ambig)
 &rst
  ixpk= 1773, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  11,  12,  93,  94,
 igr2=  98,  99,  98,  99,
 &end
#
#    0 AMB  10-2:1774     0 AMB  10-1:1774   5.00    (#   1774:10  Double Ambig)
 &rst
  ixpk= 1774, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=  15,  16,  17,1659,1660,1661,
 igr2=  98,  99,  98,  99,
 &end
#
#    8 PRO  HG-           5 GLN  HE2+        5.00    (#   1775:10  Unique         1.91, 4.99 A)
 &rst
  ixpk= 1775, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 138, 139,
 igr2=  98,  99,
 &end
#
#   71 ARG  HN           72 SER  HN          3.00    (#   1778:10  Unique         2.31, 2.47 A)
 &rst
  ixpk= 1778, nxpk= 10, iat=1147,1171, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   75 ASP  HN           72 SER  HN          4.00    (#   1779:10  Unique         2.97, 3.38 A)
 &rst
  ixpk= 1779, nxpk= 10, iat=1209,1171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 SER  HA           72 SER  HN          3.00    (#   1781:10  Unique         2.88, 2.89 A)
 &rst
  ixpk= 1781, nxpk= 10, iat=1173,1171, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   70 PRO  HA           72 SER  HN          4.00    (#   1782:10  Unique         2.84, 3.13 A)
 &rst
  ixpk= 1782, nxpk= 10, iat=1143,1171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   71 ARG  HA           72 SER  HN          4.00    (#   1783:10  Unique         3.28, 3.45 A)
 &rst
  ixpk= 1783, nxpk= 10, iat=1149,1171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 SER  HB-          72 SER  HN          4.00    (#   1784:10  Unique         2.30, 3.08 A)
 &rst
  ixpk= 1784, nxpk= 10, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1175,1176,
 &end
#
#   72 SER  HB+          72 SER  HN          5.00    (#   1785:10  Unique         2.30, 3.08 A)
 &rst
  ixpk= 1785, nxpk= 10, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1175,1176,
 &end
#
#   75 ASP  HB+          72 SER  HN          4.00    (#   1786:10  Unique         2.18, 3.54 A)
 &rst
  ixpk= 1786, nxpk= 10, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1213,1214,
 &end
#
#   75 ASP  HB-          72 SER  HN          4.00    (#   1787:10  Unique         2.18, 3.54 A)
 &rst
  ixpk= 1787, nxpk= 10, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1213,1214,
 &end
#
#   70 PRO  HB-          72 SER  HN          5.00    (#   1788:10  Unique         4.22, 4.85 A)
 &rst
  ixpk= 1788, nxpk= 10, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1140,1141,
 &end
#
#   71 ARG  HB-          72 SER  HN          4.00    (#   1789:10  Unique         2.43, 3.55 A)
 &rst
  ixpk= 1789, nxpk= 10, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1151,1152,
 &end
#
#   71 ARG  HB+          72 SER  HN          4.00    (#   1790:10  Unique         2.43, 3.55 A)
 &rst
  ixpk= 1790, nxpk= 10, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1151,1152,
 &end
#
#  132 GLY  HA+          50 GLN  HE2-        4.00    (#   1801:10  Unique         1.96, 5.25 A)
 &rst
  ixpk= 1801, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2074,2075,
 igr2= 813, 814,
 &end
#
#    0 AMB  10-2:1803    50 GLN  HE2-        5.00    (#   1803:10  Single Ambig)
 &rst
  ixpk= 1803, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2074,2075, 803,
 igr2= 813, 814,
 &end
#
#    0 AMB  10-2:1805    50 GLN  HE2-        5.00    (#   1805:10  Single Ambig)
 &rst
  ixpk= 1805, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 805, 806,2083,2084,
 igr2= 813, 814,
 &end
#
#  134 LYS  HD-          50 GLN  HE2-        5.00    (#   1807:10  Unique         1.93, 4.48 A)
 &rst
  ixpk= 1807, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2106,2107,
 igr2= 813, 814,
 &end
#
#   37 TRP  HA           38 SER  HN          4.00    (#   1815:10  Unique         2.32, 2.44 A)
 &rst
  ixpk= 1815, nxpk= 10, iat= 602, 624, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   47 ALA  HA           50 GLN  HE2+        5.00    (#   1818:10  Unique         3.70, 5.12 A)
 &rst
  ixpk= 1818, nxpk= 10, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 813, 814,
 &end
#
#    0 AMB  10-2:1819     0 AMB  10-1:1819   5.00    (#   1819:10  Double Ambig)
 &rst
  ixpk= 1819, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2074,2075, 803,
 igr2= 813, 814, 813, 814,
 &end
#
#    0 AMB  10-2:1820     0 AMB  10-1:1820   4.00    (#   1820:10  Double Ambig)
 &rst
  ixpk= 1820, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 805, 806, 808, 809,
 igr2= 813, 814, 813, 814,
 &end
#
#    0 AMB  10-2:1821     0 AMB  10-1:1821   5.00    (#   1821:10  Double Ambig)
 &rst
  ixpk= 1821, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 805, 806,2083,2084,
 igr2= 813, 814, 813, 814,
 &end
#
#   47 ALA  HA           50 GLN  HE2-        5.00    (#   1836:10  Unique         3.70, 5.12 A)
 &rst
  ixpk= 1836, nxpk= 10, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 813, 814,
 &end
#
#    0 AMB  10-2:1837    50 GLN  HE2-        5.00    (#   1837:10  Single Ambig)
 &rst
  ixpk= 1837, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2063,2081,
 igr2= 813, 814,
 &end
#
#    0 AMB  10-2:1838    50 GLN  HE2-        4.00    (#   1838:10  Single Ambig)
 &rst
  ixpk= 1838, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 805, 806, 808, 809,
 igr2= 813, 814,
 &end
#
#   38 SER  HB-          38 SER  HN          5.00    (#   1840:10  Unique         2.50, 3.08 A)
 &rst
  ixpk= 1840, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 628, 629,
 &end
#
#    0 AMB  10-2:1841    38 SER  HN          5.00    (#   1841:10  Single Ambig)
 &rst
  ixpk= 1841, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 669, 670, 604, 605,
 &end
#
#    0 AMB  10-2:1842    38 SER  HN          5.00    (#   1842:10  Single Ambig)
 &rst
  ixpk= 1842, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 626, 714,
 &end
#
#   30 LYS  HN           28 GLY  HN          5.00    (#   1844:10  Unique         2.15, 3.50 A)
 &rst
  ixpk= 1844, nxpk= 10, iat= 475, 453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1847    28 GLY  HN          3.00    (#   1847:10  Single Ambig)
 &rst
  ixpk= 1847, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 455, 456, 462,
 &end
#
#   27 ILE  HA           28 GLY  HN          3.00    (#   1849:10  Unique         2.34, 2.52 A)
 &rst
  ixpk= 1849, nxpk= 10, iat= 436, 453, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  119 LYS  HA           28 GLY  HN          5.00    (#   1850:10  Unique         4.03, 4.29 A)
 &rst
  ixpk= 1850, nxpk= 10, iat=1882, 453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 GLY  HA+          28 GLY  HN          3.00    (#   1851:10  Unique         2.59, 2.79 A)
 &rst
  ixpk= 1851, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 455, 456,
 &end
#
#   27 ILE  HB           28 GLY  HN          3.00    (#   1852:10  Unique         2.16, 2.63 A)
 &rst
  ixpk= 1852, nxpk= 10, iat= 438, 453, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1853    28 GLY  HN          5.00    (#   1853:10  Single Ambig)
 &rst
  ixpk= 1853, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 444, 445, 485, 486,
 &end
#
#    0 AMB  10-2:1854    28 GLY  HN          5.00    (#   1854:10  Single Ambig)
 &rst
  ixpk= 1854, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1884,1885, 485, 486, 482, 483,
 &end
#
#   27 ILE  HG1+         28 GLY  HN          5.00    (#   1855:10  Unique         4.12, 4.71 A)
 &rst
  ixpk= 1855, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 444, 445,
 &end
#
#   27 ILE  QG2          28 GLY  HN          3.00    (#   1856:10  Unique         2.33, 3.73 A)
 &rst
  ixpk= 1856, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 440, 441, 442,
 &end
#
#   27 ILE  HN           28 GLY  HN          5.00    (#   1857:10  Unique         4.42, 4.49 A)
 &rst
  ixpk= 1857, nxpk= 10, iat= 434, 453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 ILE  QD1          28 GLY  HN          5.00    (#   1858:10  Unique         4.54, 5.49 A)
 &rst
  ixpk= 1858, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 447, 448, 449,
 &end
#
#   56 ASP  HA           59 GLN  HE2-        4.00    (#   1887:10  Unique         2.61, 4.13 A)
 &rst
  ixpk= 1887, nxpk= 10, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 974, 975,
 &end
#
#   59 GLN  HG-          59 GLN  HE2-        4.00    (#   1888:10  Unique         2.11, 3.38 A)
 &rst
  ixpk= 1888, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 969, 970,
 igr2= 974, 975,
 &end
#
#    0 AMB  10-2:1889    59 GLN  HE2-        4.00    (#   1889:10  Single Ambig)
 &rst
  ixpk= 1889, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 966, 967, 969, 970,
 igr2= 974, 975,
 &end
#
#   56 ASP  HA           59 GLN  HE2+        5.00    (#   1895:10  Unique         2.61, 4.13 A)
 &rst
  ixpk= 1895, nxpk= 10, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 974, 975,
 &end
#
#   59 GLN  HG-          59 GLN  HE2+        4.00    (#   1896:10  Unique         2.11, 3.38 A)
 &rst
  ixpk= 1896, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 969, 970,
 igr2= 974, 975,
 &end
#
#    0 AMB  10-2:1897     0 AMB  10-1:1897   4.00    (#   1897:10  Double Ambig)
 &rst
  ixpk= 1897, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 966, 967, 969, 970,
 igr2= 974, 975, 974, 975,
 &end
#
#   58 TYR  HA           61 GLN  HE2+        4.00    (#   1909:10  Unique         2.56, 3.93 A)
 &rst
  ixpk= 1909, nxpk= 10, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1003,1004,
 &end
#
#    0 AMB  10-2:1911     0 AMB  10-1:1911   5.00    (#   1911:10  Double Ambig)
 &rst
  ixpk= 1911, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 983, 984, 983, 984,
 igr2=1003,1004,1003,1004,
 &end
#
#    0 AMB  10-2:1912     0 AMB  10-1:1912   3.00    (#   1912:10  Double Ambig)
 &rst
  ixpk= 1912, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 998, 999, 995, 996,
 igr2=1003,1004,1003,1004,
 &end
#
#   61 GLN  HG-          61 GLN  HE2+        3.00    (#   1913:10  Unique         2.10, 3.16 A)
 &rst
  ixpk= 1913, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 998, 999,
 igr2=1003,1004,
 &end
#
#   61 GLN  HB-          61 GLN  HE2+        5.00    (#   1914:10  Unique         2.51, 4.35 A)
 &rst
  ixpk= 1914, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 995, 996,
 igr2=1003,1004,
 &end
#
#  144 LEU  MDX          61 GLN  HE2+        5.00    (#   1915:10  Unique         4.94, 7.14 A)
 &rst
  ixpk= 1915, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2=1003,1004,
 &end
#
#  144 LEU  MDY          61 GLN  HE2+        5.00    (#   1917:10  Unique         4.94, 7.14 A)
 &rst
  ixpk= 1917, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2=1003,1004,
 &end
#
#  144 LEU  MDY          61 GLN  HE2-        5.00    (#   1920:10  Unique         4.94, 7.14 A)
 &rst
  ixpk= 1920, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2=1003,1004,
 &end
#
#    0 AMB  10-2:1923     0 AMB  10-1:1923   5.00    (#   1923:10  Double Ambig)
 &rst
  ixpk= 1923, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 983, 984, 983, 984,
 igr2= 974, 975, 974, 975,1003,1004,
 &end
#
#    0 AMB  10-2:1924    61 GLN  HE2-        4.00    (#   1924:10  Single Ambig)
 &rst
  ixpk= 1924, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 998, 999, 995, 996,
 igr2=1003,1004,
 &end
#
#   61 GLN  HB-          61 GLN  HE2-        5.00    (#   1925:10  Unique         2.51, 4.35 A)
 &rst
  ixpk= 1925, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 995, 996,
 igr2=1003,1004,
 &end
#
#  110 TYR  HN          111 VAL  HN          4.00    (#   1926:10  Unique         1.76, 2.82 A)
 &rst
  ixpk= 1926, nxpk= 10, iat=1729,1750, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1928   111 VAL  HN          4.00    (#   1928:10  Single Ambig)
 &rst
  ixpk= 1928, nxpk= 10, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1731,1782,
 &end
#
#  111 VAL  HA          111 VAL  HN          3.00    (#   1929:10  Unique         2.21, 2.31 A)
 &rst
  ixpk= 1929, nxpk= 10, iat=1752,1750, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  110 TYR  HB-         111 VAL  HN          3.00    (#   1931:10  Unique         1.62, 2.83 A)
 &rst
  ixpk= 1931, nxpk= 10, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1733,1734,
 &end
#
#  110 TYR  HB+         111 VAL  HN          3.00    (#   1932:10  Unique         1.62, 2.83 A)
 &rst
  ixpk= 1932, nxpk= 10, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1733,1734,
 &end
#
#  111 VAL  HB          111 VAL  HN          4.00    (#   1933:10  Unique         2.27, 3.01 A)
 &rst
  ixpk= 1933, nxpk= 10, iat=1754,1750, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1934   111 VAL  HN          5.00    (#   1934:10  Single Ambig)
 &rst
  ixpk= 1934, nxpk= 10, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1127,1128,1129,1784,1785,1786,
 &end
#
#  128 ALA  MB          111 VAL  HN          5.00    (#   1935:10  Unique         3.87, 5.21 A)
 &rst
  ixpk= 1935, nxpk= 10, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2041,2042,2043,
 &end
#
#  111 VAL  MGY         111 VAL  HN          3.00    (#   1936:10  Unique         2.38, 4.21 A)
 &rst
  ixpk= 1936, nxpk= 10, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#  111 VAL  MGX         111 VAL  HN          4.00    (#   1937:10  Unique         2.38, 4.21 A)
 &rst
  ixpk= 1937, nxpk= 10, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#   61 GLN  HA           61 GLN  HE2+        5.00    (#   1938:10  Unique         3.87, 5.13 A)
 &rst
  ixpk= 1938, nxpk= 10, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1003,1004,
 &end
#
#   22 THR  HB           22 THR  HN          4.00    (#   1943:10  Unique         2.82, 3.25 A)
 &rst
  ixpk= 1943, nxpk= 10, iat= 349, 345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 GLN  HB+          22 THR  HN          4.00    (#   1944:10  Unique         1.92, 2.97 A)
 &rst
  ixpk= 1944, nxpk= 10, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 402, 403,
 &end
#
#   22 THR  MG2          22 THR  HN          4.00    (#   1945:10  Unique         3.47, 4.40 A)
 &rst
  ixpk= 1945, nxpk= 10, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 351, 352, 353,
 &end
#
#   21 VAL  HN           22 THR  HN          5.00    (#   1946:10  Unique         4.24, 4.36 A)
 &rst
  ixpk= 1946, nxpk= 10, iat= 329, 345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 THR  HA           22 THR  HN          3.00    (#   1947:10  Unique         2.90, 2.94 A)
 &rst
  ixpk= 1947, nxpk= 10, iat= 347, 345, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   21 VAL  HA           22 THR  HN          3.00    (#   1948:10  Unique         2.24, 2.39 A)
 &rst
  ixpk= 1948, nxpk= 10, iat= 331, 345, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1949    22 THR  HN          5.00    (#   1949:10  Single Ambig)
 &rst
  ixpk= 1949, nxpk= 10, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 419, 420, 422,
 &end
#
#   21 VAL  HB           22 THR  HN          4.00    (#   1950:10  Unique         2.47, 3.69 A)
 &rst
  ixpk= 1950, nxpk= 10, iat= 333, 345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1952     0 AMB  10-1:1952   4.00    (#   1952:10  Double Ambig)
 &rst
  ixpk= 1952, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 331, 656,
 igr2= 410, 411, 654,
 &end
#
#   38 SER  HA           40 SER  HN          4.00    (#   1953:10  Unique         3.42, 3.64 A)
 &rst
  ixpk= 1953, nxpk= 10, iat= 626, 654, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   39 ILE  HG1-         40 SER  HN          5.00    (#   1954:10  Unique         2.85, 3.38 A)
 &rst
  ixpk= 1954, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 645, 646,
 &end
#
#  119 LYS  HN          120 THR  HN          4.00    (#   1956:10  Unique         2.63, 2.66 A)
 &rst
  ixpk= 1956, nxpk= 10, iat=1880,1902, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  121 GLY  HN          120 THR  HN          3.00    (#   1958:10  Unique         2.20, 2.47 A)
 &rst
  ixpk= 1958, nxpk= 10, iat=1916,1902, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  122 GLN  HN          120 THR  HN          4.00    (#   1962:10  Unique         3.25, 3.51 A)
 &rst
  ixpk= 1962, nxpk= 10, iat=1923,1902, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  120 THR  HA          120 THR  HN          3.00    (#   1964:10  Unique         2.86, 2.90 A)
 &rst
  ixpk= 1964, nxpk= 10, iat=1904,1902, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  119 LYS  HA          120 THR  HN          4.00    (#   1965:10  Unique         3.37, 3.46 A)
 &rst
  ixpk= 1965, nxpk= 10, iat=1882,1902, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  118 ASP  HB-         120 THR  HN          5.00    (#   1966:10  Unique         1.94, 2.86 A)
 &rst
  ixpk= 1966, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1872,1873,
 &end
#
#  119 LYS  HB+         120 THR  HN          5.00    (#   1967:10  Unique         3.71, 4.24 A)
 &rst
  ixpk= 1967, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1884,1885,
 &end
#
#  120 THR  MG2         120 THR  HN          3.00    (#   1968:10  Unique         1.95, 2.91 A)
 &rst
  ixpk= 1968, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1908,1909,1910,
 &end
#
#  118 ASP  HA          120 THR  HN          4.00    (#   1970:10  Unique         3.88, 4.03 A)
 &rst
  ixpk= 1970, nxpk= 10, iat=1870,1902, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  120 THR  HB          120 THR  HN          4.00    (#   1971:10  Unique         2.45, 2.89 A)
 &rst
  ixpk= 1971, nxpk= 10, iat=1906,1902, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1972   120 THR  HN          5.00    (#   1972:10  Single Ambig)
 &rst
  ixpk= 1972, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1918,1919, 436,
 &end
#
#  121 GLY  HA+         120 THR  HN          5.00    (#   1973:10  Unique         4.50, 4.88 A)
 &rst
  ixpk= 1973, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1918,1919,
 &end
#
#    0 AMB  10-2:1974   120 THR  HN          5.00    (#   1974:10  Single Ambig)
 &rst
  ixpk= 1974, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1884,1885,1927,1928,
 &end
#
#  119 LYS  HG+         120 THR  HN          4.00    (#   1975:10  Unique         1.96, 3.20 A)
 &rst
  ixpk= 1975, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1887,1888,
 &end
#
#  119 LYS  HG-         120 THR  HN          4.00    (#   1976:10  Unique         1.96, 3.20 A)
 &rst
  ixpk= 1976, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1887,1888,
 &end
#
#   25 GLN  HG-          22 THR  HN          4.00    (#   1978:10  Unique         3.85, 4.52 A)
 &rst
  ixpk= 1978, nxpk= 10, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 405, 406,
 &end
#
#   21 VAL  MGX          22 THR  HN          3.00    (#   1979:10  Unique         1.94, 3.92 A)
 &rst
  ixpk= 1979, nxpk= 10, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 335, 336, 337, 339, 340, 341,
 &end
#
#   25 GLN  HB-          22 THR  HN          3.00    (#   1983:10  Unique         1.92, 2.97 A)
 &rst
  ixpk= 1983, nxpk= 10, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 402, 403,
 &end
#
#    0 AMB  10-2:1988    25 GLN  HE2-        3.00    (#   1988:10  Single Ambig)
 &rst
  ixpk= 1988, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 390, 391, 405, 406,
 igr2= 410, 411,
 &end
#
#   25 GLN  HB+          25 GLN  HE2-        5.00    (#   1989:10  Unique         2.56, 3.62 A)
 &rst
  ixpk= 1989, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 402, 403,
 igr2= 410, 411,
 &end
#
#   22 THR  MG2          25 GLN  HE2-        5.00    (#   1990:10  Unique         4.93, 6.41 A)
 &rst
  ixpk= 1990, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 351, 352, 353,
 igr2= 410, 411,
 &end
#
#   25 GLN  HA           25 GLN  HE2-        5.00    (#   1994:10  Unique         4.13, 5.12 A)
 &rst
  ixpk= 1994, nxpk= 10, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 410, 411,
 &end
#
#    0 AMB  10-2:1995    25 GLN  HE2-        3.00    (#   1995:10  Single Ambig)
 &rst
  ixpk= 1995, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 390, 391, 405, 406,
 igr2= 410, 411,
 &end
#
#    0 AMB  10-2:1996    25 GLN  HE2-        5.00    (#   1996:10  Single Ambig)
 &rst
  ixpk= 1996, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 390, 391, 402, 403,
 igr2= 410, 411,
 &end
#
#   21 VAL  MGX          25 GLN  HE2-        5.00    (#   1997:10  Unique         2.85, 5.88 A)
 &rst
  ixpk= 1997, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 335, 336, 337, 339, 340, 341,
 igr2= 410, 411,
 &end
#
#  141 ASN  HN          141 ASN  HD2+        4.00    (#   1998:10  Unique         2.35, 3.85 A)
 &rst
  ixpk= 1998, nxpk= 10, iat=2231,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2240,2241,
 &end
#
#  141 ASN  HA          141 ASN  HD2+        4.00    (#   2009:10  Unique         1.99, 4.23 A)
 &rst
  ixpk= 2009, nxpk= 10, iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2240,2241,
 &end
#
#  138 LYS  HA          141 ASN  HD2+        4.00    (#   2010:10  Unique         1.88, 3.32 A)
 &rst
  ixpk= 2010, nxpk= 10, iat=2171,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2240,2241,
 &end
#
#    0 AMB  10-2:2011     0 AMB  10-1:2011   3.00    (#   2011:10  Double Ambig)
 &rst
  ixpk= 2011, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=2235,2236,2182,2183,1213,1214,
 igr2=2240,2241,2240,2241, 654,
 &end
#
#  141 ASN  HB+         141 ASN  HD2+        4.00    (#   2012:10  Unique         2.11, 3.20 A)
 &rst
  ixpk= 2012, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2235,2236,
 igr2=2240,2241,
 &end
#
#  137 GLU  HG-         141 ASN  HD2+        4.00    (#   2013:10  Unique         3.14, 5.09 A)
 &rst
  ixpk= 2013, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2161,2162,
 igr2=2240,2241,
 &end
#
#  141 ASN  HN          141 ASN  HD2-        5.00    (#   2018:10  Unique         2.35, 3.85 A)
 &rst
  ixpk= 2018, nxpk= 10, iat=2231,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2240,2241,
 &end
#
#  141 ASN  HA          141 ASN  HD2-        5.00    (#   2021:10  Unique         1.99, 4.23 A)
 &rst
  ixpk= 2021, nxpk= 10, iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2240,2241,
 &end
#
#  138 LYS  HA          141 ASN  HD2-        5.00    (#   2029:10  Unique         1.88, 3.32 A)
 &rst
  ixpk= 2029, nxpk= 10, iat=2171,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2240,2241,
 &end
#
#    0 AMB  10-2:2030   141 ASN  HD2-        4.00    (#   2030:10  Single Ambig)
 &rst
  ixpk= 2030, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=2235,2236,2182,2183,
 igr2=2240,2241,
 &end
#
#  141 ASN  HB+         141 ASN  HD2-        4.00    (#   2031:10  Unique         2.11, 3.20 A)
 &rst
  ixpk= 2031, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2235,2236,
 igr2=2240,2241,
 &end
#
#  137 GLU  HG-         141 ASN  HD2-        5.00    (#   2032:10  Unique         3.14, 5.09 A)
 &rst
  ixpk= 2032, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2161,2162,
 igr2=2240,2241,
 &end
#
#    0 AMB  10-2:2033   141 ASN  HD2-        5.00    (#   2033:10  Single Ambig)
 &rst
  ixpk= 2033, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=2221,2222,2223,2225,2226,2227,2294,2295,2296,2298,
      2299,2300,
 igr2=2240,2241,
 &end
#
#   21 VAL  HA           25 GLN  HE2+        5.00    (#   2043:10  Unique         2.55, 3.80 A)
 &rst
  ixpk= 2043, nxpk= 10, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 410, 411,
 &end
#
#    0 AMB  10-2:2044     0 AMB  10-1:2044   3.00    (#   2044:10  Double Ambig)
 &rst
  ixpk= 2044, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 390, 391, 405, 406,
 igr2= 410, 411, 410, 411,
 &end
#
#   25 GLN  HB+          25 GLN  HE2+        5.00    (#   2045:10  Unique         2.56, 3.62 A)
 &rst
  ixpk= 2045, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 402, 403,
 igr2= 410, 411,
 &end
#
#   22 THR  MG2          25 GLN  HE2+        5.00    (#   2046:10  Unique         4.93, 6.41 A)
 &rst
  ixpk= 2046, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 351, 352, 353,
 igr2= 410, 411,
 &end
#
#  120 THR  MG2         122 GLN  HE2+        5.00    (#   2050:10  Unique         1.91, 4.23 A)
 &rst
  ixpk= 2050, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1908,1909,1910,
 igr2=1935,1936,
 &end
#
#  122 GLN  HG-         122 GLN  HE2+        4.00    (#   2056:10  Unique         2.10, 3.25 A)
 &rst
  ixpk= 2056, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1930,1931,
 igr2=1935,1936,
 &end
#
#    0 AMB  10-2:2057     0 AMB  10-1:2057   4.00    (#   2057:10  Double Ambig)
 &rst
  ixpk= 2057, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1927,1928,1930,1931,
 igr2=1935,1936,1935,1936,
 &end
#
#  122 GLN  HB+         122 GLN  HE2+        5.00    (#   2058:10  Unique         1.88, 3.97 A)
 &rst
  ixpk= 2058, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1927,1928,
 igr2=1935,1936,
 &end
#
#  122 GLN  HG-         122 GLN  HE2-        4.00    (#   2065:10  Unique         2.10, 3.25 A)
 &rst
  ixpk= 2065, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1930,1931,
 igr2=1935,1936,
 &end
#
#    0 AMB  10-2:2066   122 GLN  HE2-        4.00    (#   2066:10  Single Ambig)
 &rst
  ixpk= 2066, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1927,1928,1930,1931,
 igr2=1935,1936,
 &end
#
#  122 GLN  HB+         122 GLN  HE2-        5.00    (#   2067:10  Unique         1.88, 3.97 A)
 &rst
  ixpk= 2067, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1927,1928,
 igr2=1935,1936,
 &end
#
#    0 AMB  10-2:2068    12 GLY  HN          5.00    (#   2068:10  Single Ambig)
 &rst
  ixpk= 2068, nxpk= 10, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 188, 189, 190, 318, 319,
 &end
#
#   13 GLU  HN           12 GLY  HN          5.00    (#   2069:10  Unique         4.50, 4.55 A)
 &rst
  ixpk= 2069, nxpk= 10, iat= 203, 196, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 THR  HA           12 GLY  HN          3.00    (#   2070:10  Unique         2.17, 2.24 A)
 &rst
  ixpk= 2070, nxpk= 10, iat= 184, 196, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   12 GLY  HA-          12 GLY  HN          3.00    (#   2072:10  Unique         2.25, 2.67 A)
 &rst
  ixpk= 2072, nxpk= 10, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 198, 199,
 &end
#
#   12 GLY  HA+          12 GLY  HN          3.00    (#   2073:10  Unique         2.25, 2.67 A)
 &rst
  ixpk= 2073, nxpk= 10, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 198, 199,
 &end
#
#  117 PHE  HB+         121 GLY  HN          5.00    (#   2075:10  Unique         3.59, 4.26 A)
 &rst
  ixpk= 2075, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1852,1853,
 &end
#
#    7 MET  ME          121 GLY  HN          5.00    (#   2076:10  Unique         3.92, 5.20 A)
 &rst
  ixpk= 2076, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 128, 129, 130,
 &end
#
#  120 THR  HN          121 GLY  HN          3.00    (#   2083:10  Unique         2.20, 2.47 A)
 &rst
  ixpk= 2083, nxpk= 10, iat=1902,1916, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  122 GLN  HN          121 GLY  HN          3.00    (#   2084:10  Unique         2.26, 2.50 A)
 &rst
  ixpk= 2084, nxpk= 10, iat=1923,1916, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  118 ASP  HA          121 GLY  HN          5.00    (#   2086:10  Unique         4.38, 4.56 A)
 &rst
  ixpk= 2086, nxpk= 10, iat=1870,1916, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  120 THR  HA          121 GLY  HN          4.00    (#   2087:10  Unique         3.20, 3.31 A)
 &rst
  ixpk= 2087, nxpk= 10, iat=1904,1916, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  120 THR  HB          121 GLY  HN          5.00    (#   2088:10  Unique         4.13, 4.42 A)
 &rst
  ixpk= 2088, nxpk= 10, iat=1906,1916, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  121 GLY  HA-         121 GLY  HN          3.00    (#   2089:10  Unique         2.25, 2.57 A)
 &rst
  ixpk= 2089, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1918,1919,
 &end
#
#  121 GLY  HA+         121 GLY  HN          3.00    (#   2090:10  Unique         2.25, 2.57 A)
 &rst
  ixpk= 2090, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1918,1919,
 &end
#
#    0 AMB  10-2:2091   121 GLY  HN          5.00    (#   2091:10  Single Ambig)
 &rst
  ixpk= 2091, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1930,1931,1927,1928,
 &end
#
#  120 THR  MG2         121 GLY  HN          4.00    (#   2092:10  Unique         2.76, 4.23 A)
 &rst
  ixpk= 2092, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1908,1909,1910,
 &end
#
#   27 ILE  QG2         121 GLY  HN          4.00    (#   2093:10  Unique         2.07, 3.11 A)
 &rst
  ixpk= 2093, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 440, 441, 442,
 &end
#
#   27 ILE  QD1         121 GLY  HN          5.00    (#   2094:10  Unique         3.37, 4.68 A)
 &rst
  ixpk= 2094, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 447, 448, 449,
 &end
#
#    0 AMB  10-2:2095   121 GLY  HN          5.00    (#   2095:10  Single Ambig)
 &rst
  ixpk= 2095, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 444, 445,1887,1888,
 &end
#
#   18 ASN  HN           19 GLY  HN          3.00    (#   2108:10  Unique         2.67, 3.08 A)
 &rst
  ixpk= 2108, nxpk= 10, iat= 293, 307, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   16 TRP  HE3          19 GLY  HN          5.00    (#   2110:10  Unique         2.44, 3.47 A)
 &rst
  ixpk= 2110, nxpk= 10, iat= 269, 307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 GLU  HN           19 GLY  HN          5.00    (#   2111:10  Unique         3.26, 3.83 A)
 &rst
  ixpk= 2111, nxpk= 10, iat= 314, 307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 LEU  HA           19 GLY  HN          4.00    (#   2112:10  Unique         3.01, 3.64 A)
 &rst
  ixpk= 2112, nxpk= 10, iat= 276, 307, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ASN  HA           19 GLY  HN          4.00    (#   2114:10  Unique         2.82, 3.41 A)
 &rst
  ixpk= 2114, nxpk= 10, iat= 295, 307, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 GLY  HA-          19 GLY  HN          3.00    (#   2115:10  Unique         2.36, 2.75 A)
 &rst
  ixpk= 2115, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 309, 310,
 &end
#
#    0 AMB  10-2:2117    19 GLY  HN          3.00    (#   2117:10  Single Ambig)
 &rst
  ixpk= 2117, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 309, 310, 297, 298,
 &end
#
#   16 TRP  HB-          19 GLY  HN          4.00    (#   2118:10  Unique         3.11, 4.39 A)
 &rst
  ixpk= 2118, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 254, 255,
 &end
#
#    0 AMB  10-2:2119    19 GLY  HN          4.00    (#   2119:10  Single Ambig)
 &rst
  ixpk= 2119, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 297, 298, 254, 255,
 &end
#
#   94 ILE  HB           19 GLY  HN          5.00    (#   2120:10  Unique         4.78, 5.05 A)
 &rst
  ixpk= 2120, nxpk= 10, iat=1497, 307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2121    19 GLY  HN          5.00    (#   2121:10  Single Ambig)
 &rst
  ixpk= 2121, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 278, 279, 281,
 &end
#
#    0 AMB  10-2:2122    19 GLY  HN          5.00    (#   2122:10  Single Ambig)
 &rst
  ixpk= 2122, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 283, 284, 285, 287, 288, 289,1506,1507,1508,
 &end
#
#   94 ILE  HN           19 GLY  HN          5.00    (#   2123:10  Unique         3.24, 3.57 A)
 &rst
  ixpk= 2123, nxpk= 10, iat=1493, 307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 PRO  HA           52 ASN  HD2+        5.00    (#   2138:10  Unique         1.88, 2.82 A)
 &rst
  ixpk= 2138, nxpk= 10, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 843, 844,
 &end
#
#   52 ASN  HB+          52 ASN  HD2+        3.00    (#   2139:10  Unique         2.10, 3.33 A)
 &rst
  ixpk= 2139, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 838, 839,
 igr2= 843, 844,
 &end
#
#   89 ASP  HB-          52 ASN  HD2+        4.00    (#   2141:10  Unique         3.06, 4.89 A)
 &rst
  ixpk= 2141, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1421,1422,
 igr2= 843, 844,
 &end
#
#   89 ASP  HB+          52 ASN  HD2+        5.00    (#   2142:10  Unique         3.06, 4.89 A)
 &rst
  ixpk= 2142, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1421,1422,
 igr2= 843, 844,
 &end
#
#   52 ASN  HB+          52 ASN  HD2-        5.00    (#   2145:10  Unique         2.10, 3.33 A)
 &rst
  ixpk= 2145, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 838, 839,
 igr2= 843, 844,
 &end
#
#   80 LYS  HN           79 GLY  HN          3.00    (#   2148:10  Unique         2.24, 2.47 A)
 &rst
  ixpk= 2148, nxpk= 10, iat=1273,1266, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   78 PRO  HD+          79 GLY  HN          4.00    (#   2150:10  Unique         2.33, 3.14 A)
 &rst
  ixpk= 2150, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1253,1254,
 &end
#
#   80 LYS  HA           79 GLY  HN          5.00    (#   2151:10  Unique         4.84, 5.07 A)
 &rst
  ixpk= 2151, nxpk= 10, iat=1275,1266, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   78 PRO  HA           79 GLY  HN          4.00    (#   2152:10  Unique         3.27, 3.32 A)
 &rst
  ixpk= 2152, nxpk= 10, iat=1262,1266, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 GLY  HA-          79 GLY  HN          3.00    (#   2153:10  Unique         2.25, 2.56 A)
 &rst
  ixpk= 2153, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1268,1269,
 &end
#
#   79 GLY  HA+          79 GLY  HN          3.00    (#   2154:10  Unique         2.25, 2.56 A)
 &rst
  ixpk= 2154, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1268,1269,
 &end
#
#   77 ASP  HB+          79 GLY  HN          5.00    (#   2155:10  Unique         2.50, 3.55 A)
 &rst
  ixpk= 2155, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1244,1245,
 &end
#
#    0 AMB  10-2:2156    79 GLY  HN          4.00    (#   2156:10  Single Ambig)
 &rst
  ixpk= 2156, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1256,1257,1259,1260,
 &end
#
#    0 AMB  10-2:2157    79 GLY  HN          4.00    (#   2157:10  Single Ambig)
 &rst
  ixpk= 2157, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1259,1260,1318,1319,
 &end
#
#    0 AMB  10-2:2158    79 GLY  HN          4.00    (#   2158:10  Single Ambig)
 &rst
  ixpk= 2158, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1256,1257,1277,1278,
 &end
#
#    0 AMB  10-2:2159    79 GLY  HN          5.00    (#   2159:10  Single Ambig)
 &rst
  ixpk= 2159, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1299,1321,1322,1321,1322,
 &end
#
#  114 TYR  HN          129 GLY  HN          5.00    (#   2160:10  Unique         4.79, 4.94 A)
 &rst
  ixpk= 2160, nxpk= 10, iat=1790,2047, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  128 ALA  HA          129 GLY  HN          3.00    (#   2161:10  Unique         2.19, 2.24 A)
 &rst
  ixpk= 2161, nxpk= 10, iat=2039,2047, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  129 GLY  HA+         129 GLY  HN          3.00    (#   2163:10  Unique         2.28, 2.62 A)
 &rst
  ixpk= 2163, nxpk= 10, iat=  -1,2047, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2049,2050,
 &end
#
#  129 GLY  HA-         129 GLY  HN          3.00    (#   2164:10  Unique         2.28, 2.62 A)
 &rst
  ixpk= 2164, nxpk= 10, iat=  -1,2047, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2049,2050,
 &end
#
#    0 AMB  10-2:2165   129 GLY  HN          4.00    (#   2165:10  Single Ambig)
 &rst
  ixpk= 2165, nxpk= 10, iat=  -1,2047, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1770,1771,1770,1771,1773,1774,
 &end
#
#  113 ALA  MB          129 GLY  HN          5.00    (#   2166:10  Unique         4.56, 5.65 A)
 &rst
  ixpk= 2166, nxpk= 10, iat=  -1,2047, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1784,1785,1786,
 &end
#
#  128 ALA  MB          129 GLY  HN          4.00    (#   2167:10  Unique         3.04, 3.87 A)
 &rst
  ixpk= 2167, nxpk= 10, iat=  -1,2047, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2041,2042,2043,
 &end
#
#  112 PRO  HD+         129 GLY  HN          5.00    (#   2170:10  Unique         4.00, 5.21 A)
 &rst
  ixpk= 2170, nxpk= 10, iat=  -1,2047, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1767,1768,
 &end
#
#   18 ASN  HD2-         92 GLN  HN          5.00    (#   2175:10  Unique         3.97, 4.44 A)
 &rst
  ixpk= 2175, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 302, 303,
 &end
#
#   64 VAL  HB           92 GLN  HN          5.00    (#   2176:10  Unique         4.87, 5.16 A)
 &rst
  ixpk= 2176, nxpk= 10, iat=1045,1462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 LEU  MDY         117 PHE  HN          5.00    (#   2178:10  Unique         3.97, 6.28 A)
 &rst
  ixpk= 2178, nxpk= 10, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#    0 AMB  10-2:2179   117 PHE  HN          5.00    (#   2179:10  Single Ambig)
 &rst
  ixpk= 2179, nxpk= 10, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 517, 518, 519, 554, 555,
 &end
#
#    0 AMB  10-2:2180   117 PHE  HN          5.00    (#   2180:10  Single Ambig)
 &rst
  ixpk= 2180, nxpk= 10, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 504, 505,1966,1967, 554, 555,
 &end
#
#   33 LEU  HB+         117 PHE  HN          5.00    (#   2181:10  Unique         3.95, 4.95 A)
 &rst
  ixpk= 2181, nxpk= 10, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 529, 530,
 &end
#
#   31 PRO  HA          117 PHE  HN          5.00    (#   2182:10  Unique         4.76, 4.97 A)
 &rst
  ixpk= 2182, nxpk= 10, iat= 507,1848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  101 ALA  HN          103 THR  HN          5.00    (#   2184:10  Unique         3.89, 4.15 A)
 &rst
  ixpk= 2184, nxpk= 10, iat=1600,1629, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 LEU  HG          103 THR  HN          5.00    (#   2185:10  Unique         2.29, 4.01 A)
 &rst
  ixpk= 2185, nxpk= 10, iat=1617,1629, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  101 ALA  MB          103 THR  HN          5.00    (#   2186:10  Unique         4.40, 5.40 A)
 &rst
  ixpk= 2186, nxpk= 10, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1604,1605,1606,
 &end
#
#    0 AMB  10-2:2187    71 ARG  HN          5.00    (#   2187:10  Single Ambig)
 &rst
  ixpk= 2187, nxpk= 10, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 628, 629,1134,1135,
 &end
#
#   70 PRO  HA           71 ARG  HN          3.00    (#   2188:10  Unique         2.45, 2.55 A)
 &rst
  ixpk= 2188, nxpk= 10, iat=1143,1147, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:2189    71 ARG  HN          5.00    (#   2189:10  Single Ambig)
 &rst
  ixpk= 2189, nxpk= 10, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1209, 624,
 &end
#
#   33 LEU  MDY          34 ILE  HN          3.00    (#   2191:10  Unique         2.35, 4.65 A)
 &rst
  ixpk= 2191, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#  114 TYR  HA           34 ILE  HN          5.00    (#   2192:10  Unique         4.54, 4.91 A)
 &rst
  ixpk= 2192, nxpk= 10, iat=1792, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 THR  HN           33 LEU  HN          5.00    (#   2193:10  Unique         4.44, 4.54 A)
 &rst
  ixpk= 2193, nxpk= 10, iat= 511, 525, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2194    33 LEU  HN          5.00    (#   2194:10  Single Ambig)
 &rst
  ixpk= 2194, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1029,1834,
 &end
#
#   96 VAL  HN           17 LEU  HN          5.00    (#   2195:10  Unique         4.56, 4.85 A)
 &rst
  ixpk= 2195, nxpk= 10, iat=1532, 274, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  114 TYR  HA           36 PHE  HN          5.00    (#   2197:10  Unique         3.48, 3.59 A)
 &rst
  ixpk= 2197, nxpk= 10, iat=1792, 580, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  112 PRO  HA           36 PHE  HN          5.00    (#   2198:10  Unique         4.33, 4.55 A)
 &rst
  ixpk= 2198, nxpk= 10, iat=1776, 580, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2199   124 ARG  HN          5.00    (#   2199:10  Single Ambig)
 &rst
  ixpk= 2199, nxpk= 10, iat=  -1,1959, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  52,  53,  54,  56,  57,  58,2275,2276,2277,2279,
      2280,2281,2275,2276,2277,2279,2280,2281,
 &end
#
#    0 AMB  10-2:2200   124 ARG  HN          5.00    (#   2200:10  Single Ambig)
 &rst
  ixpk= 2200, nxpk= 10, iat=  -1,1959, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1836,1930,1931,
 &end
#
#   33 LEU  MDX         115 TYR  HN          5.00    (#   2201:10  Unique         2.45, 4.75 A)
 &rst
  ixpk= 2201, nxpk= 10, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  HG          115 TYR  HN          5.00    (#   2202:10  Unique         3.69, 4.56 A)
 &rst
  ixpk= 2202, nxpk= 10, iat= 532,1811, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  114 TYR  HN          115 TYR  HN          5.00    (#   2203:10  Unique         3.95, 4.22 A)
 &rst
  ixpk= 2203, nxpk= 10, iat=1790,1811, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 PRO  HD-         119 LYS  HN          5.00    (#   2204:10  Unique         4.43, 5.20 A)
 &rst
  ixpk= 2204, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 498, 499,
 &end
#
#    0 AMB  10-2:2205    94 ILE  HN          5.00    (#   2205:10  Single Ambig)
 &rst
  ixpk= 2205, nxpk= 10, iat=  -1,1493, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 278, 279, 281,
 &end
#
#    0 AMB  10-2:2206     0 AMB  10-1:2206   5.00    (#   2206:10  Double Ambig)
 &rst
  ixpk= 2206, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1503,1504,1189,1190,
 igr2=1493,1182,
 &end
#
#   93 PRO  HB+          94 ILE  HN          5.00    (#   2207:10  Unique         3.44, 3.94 A)
 &rst
  ixpk= 2207, nxpk= 10, iat=  -1,1493, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1486,1487,
 &end
#
#   18 ASN  HB+          94 ILE  HN          5.00    (#   2208:10  Unique         2.02, 3.53 A)
 &rst
  ixpk= 2208, nxpk= 10, iat=  -1,1493, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 297, 298,
 &end
#
#   94 ILE  HA           94 ILE  HN          5.00    (#   2209:10  Unique         2.90, 2.92 A)
 &rst
  ixpk= 2209, nxpk= 10, iat=1495,1493, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 LEU  HN           94 ILE  HN          5.00    (#   2210:10  Unique         3.05, 3.41 A)
 &rst
  ixpk= 2210, nxpk= 10, iat= 274,1493, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 LEU  HN            4 ARG  HN          5.00    (#   2211:10  Unique         3.10, 4.34 A)
 &rst
  ixpk= 2211, nxpk= 10, iat=  43,  62, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  123 LEU  MDY           4 ARG  HN          5.00    (#   2213:10  Unique         2.29, 5.37 A)
 &rst
  ixpk= 2213, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#    0 AMB  10-2:2214    23 ARG  HN          5.00    (#   2214:10  Single Ambig)
 &rst
  ixpk= 2214, nxpk= 10, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 424, 425, 426, 428, 429, 430, 335, 336, 337, 339,
       340, 341,
 &end
#
#   25 GLN  HN           23 ARG  HN          5.00    (#   2215:10  Unique         4.35, 4.56 A)
 &rst
  ixpk= 2215, nxpk= 10, iat= 398, 359, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 LEU  HN           23 ARG  HN          5.00    (#   2216:10  Unique         4.07, 4.81 A)
 &rst
  ixpk= 2216, nxpk= 10, iat= 163, 359, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 ILE  HG1+         95 PHE  HN          5.00    (#   2217:10  Unique         4.16, 5.14 A)
 &rst
  ixpk= 2217, nxpk= 10, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1503,1504,
 &end
#
#    0 AMB  10-2:2218    95 PHE  HN          5.00    (#   2218:10  Single Ambig)
 &rst
  ixpk= 2218, nxpk= 10, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1497,1061,
 &end
#
#   67 VAL  MGY          95 PHE  HN          5.00    (#   2219:10  Unique         3.21, 5.09 A)
 &rst
  ixpk= 2219, nxpk= 10, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   67 VAL  MGX          95 PHE  HN          5.00    (#   2220:10  Unique         3.21, 5.09 A)
 &rst
  ixpk= 2220, nxpk= 10, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   33 LEU  MDY         116 VAL  HN          5.00    (#   2221:10  Unique         3.60, 6.17 A)
 &rst
  ixpk= 2221, nxpk= 10, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#  123 LEU  HG          116 VAL  HN          5.00    (#   2222:10  Unique         4.96, 5.14 A)
 &rst
  ixpk= 2222, nxpk= 10, iat=1947,1832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2223   116 VAL  HN          5.00    (#   2223:10  Single Ambig)
 &rst
  ixpk= 2223, nxpk= 10, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2004,2005,1794,1795,
 &end
#
#  115 TYR  HB-         116 VAL  HN          5.00    (#   2224:10  Unique         2.84, 3.68 A)
 &rst
  ixpk= 2224, nxpk= 10, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1815,1816,
 &end
#
#  125 HIS  HD2         116 VAL  HN          5.00    (#   2225:10  Unique         3.73, 4.45 A)
 &rst
  ixpk= 2225, nxpk= 10, iat=1996,1832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 PHE  HN          116 VAL  HN          5.00    (#   2227:10  Unique         4.25, 4.46 A)
 &rst
  ixpk= 2227, nxpk= 10, iat=1848,1832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  115 TYR  HN          116 VAL  HN          5.00    (#   2228:10  Unique         4.36, 4.49 A)
 &rst
  ixpk= 2228, nxpk= 10, iat=1811,1832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 ILE  HN           35 HIS  HN          5.00    (#   2229:10  Unique         4.18, 4.28 A)
 &rst
  ixpk= 2229, nxpk= 10, iat= 544, 563, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 ILE  HB           35 HIS  HN          5.00    (#   2231:10  Unique         4.27, 4.36 A)
 &rst
  ixpk= 2231, nxpk= 10, iat= 548, 563, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2232    65 VAL  HN          5.00    (#   2232:10  Single Ambig)
 &rst
  ixpk= 2232, nxpk= 10, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 424, 425, 426, 428, 429, 430,1017,1018,1019,1021,
      1022,1023,
 &end
#
#   86 ALA  HN           85 ALA  HN          3.00    (#   2233:10  Unique         2.25, 2.51 A)
 &rst
  ixpk= 2233, nxpk= 10, iat=1375,1365, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   17 LEU  HN           18 ASN  HN          5.00    (#   2235:10  Unique         4.05, 4.30 A)
 &rst
  ixpk= 2235, nxpk= 10, iat= 274, 293, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 LEU  MDX          18 ASN  HN          5.00    (#   2236:10  Unique         1.97, 4.86 A)
 &rst
  ixpk= 2236, nxpk= 10, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#    0 AMB  10-2:2237    67 VAL  HN          5.00    (#   2237:10  Single Ambig)
 &rst
  ixpk= 2237, nxpk= 10, iat=  -1,1083, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1503,1504,1756,1757,1758,1760,1761,1762,
 &end
#
#   94 ILE  QG2          67 VAL  HN          5.00    (#   2238:10  Unique         3.54, 5.40 A)
 &rst
  ixpk= 2238, nxpk= 10, iat=  -1,1083, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1499,1500,1501,
 &end
#
#    0 AMB  10-2:2239    67 VAL  HN          5.00    (#   2239:10  Single Ambig)
 &rst
  ixpk= 2239, nxpk= 10, iat=  -1,1083, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1063,1064,1065,1067,1068,1069,1063,1064,1065,1067,
      1068,1069,1506,1507,1508,
 &end
#
#   37 TRP  HN           67 VAL  HN          4.00    (#   2250:10  Unique         2.97, 3.30 A)
 &rst
  ixpk= 2250, nxpk= 10, iat= 600,1083, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  119 LYS  HG-          29 GLU  HN          5.00    (#   2251:10  Unique         5.26, 5.69 A)
 &rst
  ixpk= 2251, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1887,1888,
 &end
#
#   27 ILE  QG2          29 GLU  HN          5.00    (#   2252:10  Unique         3.85, 5.12 A)
 &rst
  ixpk= 2252, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 440, 441, 442,
 &end
#
#   42 HIS  HB+          43 LEU  HN          5.00    (#   2255:10  Unique         2.07, 3.06 A)
 &rst
  ixpk= 2255, nxpk= 10, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 680, 681,
 &end
#
#   42 HIS  HB-          43 LEU  HN          5.00    (#   2256:10  Unique         2.07, 3.06 A)
 &rst
  ixpk= 2256, nxpk= 10, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 680, 681,
 &end
#
#  112 PRO  HD+          43 LEU  HN          5.00    (#   2257:10  Unique         3.73, 4.85 A)
 &rst
  ixpk= 2257, nxpk= 10, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1767,1768,
 &end
#
#   44 CYS  HB-          43 LEU  HN          5.00    (#   2258:10  Unique         4.62, 5.28 A)
 &rst
  ixpk= 2258, nxpk= 10, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 716, 717,
 &end
#
#  115 TYR  HN          114 TYR  HN          5.00    (#   2260:10  Unique         3.95, 4.22 A)
 &rst
  ixpk= 2260, nxpk= 10, iat=1811,1790, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HA          114 TYR  HN          5.00    (#   2264:10  Unique         4.18, 4.29 A)
 &rst
  ixpk= 2264, nxpk= 10, iat= 565,1790, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2266   114 TYR  HN          5.00    (#   2266:10  Single Ambig)
 &rst
  ixpk= 2266, nxpk= 10, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 567, 568,1815,1816,
 &end
#
#    0 AMB  10-2:2267   114 TYR  HN          5.00    (#   2267:10  Single Ambig)
 &rst
  ixpk= 2267, nxpk= 10, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2024,2025,1773,1774,
 &end
#
#  136 LEU  MDX         114 TYR  HN          5.00    (#   2269:10  Unique         4.30, 6.38 A)
 &rst
  ixpk= 2269, nxpk= 10, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  10-2:2270    60 ASP  HN          5.00    (#   2270:10  Single Ambig)
 &rst
  ixpk= 2270, nxpk= 10, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 995, 996,1012,1013,
 &end
#
#  117 PHE  HA          123 LEU  HN          5.00    (#   2274:10  Unique         4.25, 4.41 A)
 &rst
  ixpk= 2274, nxpk= 10, iat=1850,1940, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  124 ARG  HN          123 LEU  HN          5.00    (#   2275:10  Unique         4.44, 4.56 A)
 &rst
  ixpk= 2275, nxpk= 10, iat=1959,1940, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 LEU  HN           32 THR  HN          5.00    (#   2276:10  Unique         4.44, 4.54 A)
 &rst
  ixpk= 2276, nxpk= 10, iat= 525, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  119 LYS  HN           32 THR  HN          5.00    (#   2277:10  Unique         5.02, 5.15 A)
 &rst
  ixpk= 2277, nxpk= 10, iat=1880, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ASN  HN           32 THR  HN          5.00    (#   2278:10  Unique         4.61, 4.86 A)
 &rst
  ixpk= 2278, nxpk= 10, iat=1027, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  104 ASP  HN          106 PHE  HN          5.00    (#   2279:10  Unique         3.24, 3.75 A)
 &rst
  ixpk= 2279, nxpk= 10, iat=1643,1665, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 PHE  HD          106 PHE  HN          5.00    (#   2281:10  Unique         1.80, 4.09 A)
 &rst
  ixpk= 2281, nxpk= 10, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1673,1681,
 &end
#
#  102 LEU  HA          106 PHE  HN          5.00    (#   2283:10  Unique         2.59, 3.55 A)
 &rst
  ixpk= 2283, nxpk= 10, iat=1612,1665, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 LEU  HG          106 PHE  HN          5.00    (#   2284:10  Unique         4.66, 5.02 A)
 &rst
  ixpk= 2284, nxpk= 10, iat=1617,1665, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 LEU  HB+         106 PHE  HN          5.00    (#   2285:10  Unique         3.02, 4.60 A)
 &rst
  ixpk= 2285, nxpk= 10, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1614,1615,
 &end
#
#  102 LEU  MDX         106 PHE  HN          5.00    (#   2286:10  Unique         3.33, 6.35 A)
 &rst
  ixpk= 2286, nxpk= 10, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#    0 AMB  10-2:2288    96 VAL  HN          5.00    (#   2288:10  Single Ambig)
 &rst
  ixpk= 2288, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1516,1517, 254, 255,
 &end
#
#   95 PHE  HD           96 VAL  HN          5.00    (#   2289:10  Unique         2.08, 4.28 A)
 &rst
  ixpk= 2289, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1520,1528,
 &end
#
#   17 LEU  HN           96 VAL  HN          5.00    (#   2290:10  Unique         4.56, 4.85 A)
 &rst
  ixpk= 2290, nxpk= 10, iat= 274,1532, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 PRO  HD-           7 MET  HN          5.00    (#   2292:10  Unique         2.83, 3.78 A)
 &rst
  ixpk= 2292, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 135, 136,
 &end
#
#  123 LEU  HB-           7 MET  HN          5.00    (#   2293:10  Unique         3.75, 5.51 A)
 &rst
  ixpk= 2293, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1944,1945,
 &end
#
#   33 LEU  HB+          64 VAL  HN          5.00    (#   2296:10  Unique         4.67, 5.75 A)
 &rst
  ixpk= 2296, nxpk= 10, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 529, 530,
 &end
#
#  117 PHE  HN          118 ASP  HN          5.00    (#   2297:10  Unique         4.18, 4.29 A)
 &rst
  ixpk= 2297, nxpk= 10, iat=1848,1868, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  121 GLY  HA+         118 ASP  HN          5.00    (#   2300:10  Unique         4.12, 5.29 A)
 &rst
  ixpk= 2300, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1918,1919,
 &end
#
#  122 GLN  HG-         121 GLY  HN          5.00    (#   2301:10  Unique         4.03, 5.13 A)
 &rst
  ixpk= 2301, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1930,1931,
 &end
#
#  117 PHE  HB-         121 GLY  HN          5.00    (#   2302:10  Unique         3.59, 4.26 A)
 &rst
  ixpk= 2302, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1852,1853,
 &end
#
#  117 PHE  HB+         121 GLY  HN          5.00    (#   2303:10  Unique         3.59, 4.26 A)
 &rst
  ixpk= 2303, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1852,1853,
 &end
#
#  118 ASP  HB+         121 GLY  HN          5.00    (#   2304:10  Unique         3.00, 3.93 A)
 &rst
  ixpk= 2304, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1872,1873,
 &end
#
#  119 LYS  HN          121 GLY  HN          5.00    (#   2305:10  Unique         3.87, 4.11 A)
 &rst
  ixpk= 2305, nxpk= 10, iat=1880,1916, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  137 GLU  HN          140 VAL  HN          5.00    (#   2306:10  Unique         4.66, 4.85 A)
 &rst
  ixpk= 2306, nxpk= 10, iat=2154,2215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 ASP  HB-          52 ASN  HN          5.00    (#   2308:10  Unique         4.38, 5.66 A)
 &rst
  ixpk= 2308, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1421,1422,
 &end
#
#   52 ASN  HD2-         52 ASN  HN          5.00    (#   2310:10  Unique         2.69, 3.54 A)
 &rst
  ixpk= 2310, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 843, 844,
 &end
#
#   23 ARG  HN           10 LEU  HN          5.00    (#   2311:10  Unique         4.07, 4.81 A)
 &rst
  ixpk= 2311, nxpk= 10, iat= 359, 163, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 GLU  HN           10 LEU  HN          5.00    (#   2312:10  Unique         2.60, 3.36 A)
 &rst
  ixpk= 2312, nxpk= 10, iat= 148, 163, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 THR  HN           10 LEU  HN          5.00    (#   2313:10  Unique         2.93, 3.82 A)
 &rst
  ixpk= 2313, nxpk= 10, iat= 182, 163, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 GLU  HG+          10 LEU  HN          5.00    (#   2316:10  Unique         4.01, 4.80 A)
 &rst
  ixpk= 2316, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 155, 156,
 &end
#
#  102 LEU  MDX          10 LEU  HN          5.00    (#   2317:10  Unique         2.49, 6.54 A)
 &rst
  ixpk= 2317, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#   98 SER  HB+          99 ASP  HN          5.00    (#   2319:10  Unique         1.88, 3.67 A)
 &rst
  ixpk= 2319, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1564,1565,
 &end
#
#   98 SER  HA           99 ASP  HN          5.00    (#   2320:10  Unique         2.81, 3.39 A)
 &rst
  ixpk= 2320, nxpk= 10, iat=1562,1571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 HIS  HB+          90 ILE  HN          5.00    (#   2321:10  Unique         2.76, 3.20 A)
 &rst
  ixpk= 2321, nxpk= 10, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1404,1405,
 &end
#
#   71 ARG  HB-          69 MET  HN          5.00    (#   2322:10  Unique         5.34, 6.14 A)
 &rst
  ixpk= 2322, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1151,1152,
 &end
#
#  108 ASN  HB+         109 GLU  HN          5.00    (#   2324:10  Unique         2.73, 4.10 A)
 &rst
  ixpk= 2324, nxpk= 10, iat=  -1,1714, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1704,1705,
 &end
#
#    0 AMB  10-2:2329    79 GLY  HN          5.00    (#   2329:10  Single Ambig)
 &rst
  ixpk= 2329, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1283,1284,1324,1325,
 &end
#
#   80 LYS  HG-          79 GLY  HN          5.00    (#   2330:10  Unique         3.68, 5.17 A)
 &rst
  ixpk= 2330, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1280,1281,
 &end
#
#   27 ILE  HN           24 GLU  HN          5.00    (#   2332:10  Unique         4.37, 4.72 A)
 &rst
  ixpk= 2332, nxpk= 10, iat= 434, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 ILE  QG2         120 THR  HN          5.00    (#   2339:10  Unique         3.73, 4.63 A)
 &rst
  ixpk= 2339, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 440, 441, 442,
 &end
#
#   27 ILE  QD1         120 THR  HN          5.00    (#   2340:10  Unique         5.04, 6.35 A)
 &rst
  ixpk= 2340, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 447, 448, 449,
 &end
#
#    0 AMB  10-2:2341   120 THR  HN          5.00    (#   2341:10  Single Ambig)
 &rst
  ixpk= 2341, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 504, 505,1966,1967, 501, 502,
 &end
#
#    0 AMB  10-2:2342   120 THR  HN          5.00    (#   2342:10  Single Ambig)
 &rst
  ixpk= 2342, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1930,1931,1927,1928,
 &end
#
#  122 GLN  HG-         120 THR  HN          5.00    (#   2343:10  Unique         3.76, 5.22 A)
 &rst
  ixpk= 2343, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1930,1931,
 &end
#
#  118 ASP  HB+         120 THR  HN          5.00    (#   2344:10  Unique         1.94, 2.86 A)
 &rst
  ixpk= 2344, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1872,1873,
 &end
#
#  119 LYS  HE+         120 THR  HN          5.00    (#   2345:10  Unique         3.26, 4.37 A)
 &rst
  ixpk= 2345, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1893,1894,
 &end
#
#    5 GLN  HN            2 LYS  HN          5.00    (#   2347:10  Unique         4.08, 4.85 A)
 &rst
  ixpk= 2347, nxpk= 10, iat=  86,  21, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 GLN  HE2+          2 LYS  HN          5.00    (#   2348:10  Unique         1.86, 4.01 A)
 &rst
  ixpk= 2348, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  98,  99,
 &end
#
#   83 GLU  HG-          84 THR  HN          5.00    (#   2354:10  Unique         3.45, 4.43 A)
 &rst
  ixpk= 2354, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1343,1344,
 &end
#
#   80 LYS  HB-          84 THR  HN          5.00    (#   2355:10  Unique         3.99, 4.67 A)
 &rst
  ixpk= 2355, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1277,1278,
 &end
#
#    0 AMB  10-2:2356    84 THR  HN          5.00    (#   2356:10  Single Ambig)
 &rst
  ixpk= 2356, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 648, 649, 650, 283, 284, 285, 287, 288, 289,
 &end
#
#   81 ILE  QG2          84 THR  HN          5.00    (#   2357:10  Unique         4.75, 6.04 A)
 &rst
  ixpk= 2357, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1301,1302,1303,
 &end
#
#   81 ILE  HG1-         82 LYS  HN          5.00    (#   2359:10  Unique         4.20, 4.88 A)
 &rst
  ixpk= 2359, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1305,1306,
 &end
#
#    0 AMB  10-2:2363    82 LYS  HN          4.00    (#   2363:10  Single Ambig)
 &rst
  ixpk= 2363, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1262,1109,1107,
 &end
#
#    0 AMB  10-2:2364    82 LYS  HN          5.00    (#   2364:10  Single Ambig)
 &rst
  ixpk= 2364, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1275,1338,
 &end
#
#   85 ALA  HN           82 LYS  HN          5.00    (#   2366:10  Unique         4.37, 4.55 A)
 &rst
  ixpk= 2366, nxpk= 10, iat=1365,1314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 PHE  HN          104 ASP  HN          5.00    (#   2367:10  Unique         3.24, 3.75 A)
 &rst
  ixpk= 2367, nxpk= 10, iat=1665,1643, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 LEU  MDY          83 GLU  HN          5.00    (#   2368:10  Unique         4.94, 6.18 A)
 &rst
  ixpk= 2368, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#   80 LYS  HB-          83 GLU  HN          5.00    (#   2370:10  Unique         5.05, 5.49 A)
 &rst
  ixpk= 2370, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1277,1278,
 &end
#
#   81 ILE  HA           83 GLU  HN          5.00    (#   2371:10  Unique         4.21, 4.73 A)
 &rst
  ixpk= 2371, nxpk= 10, iat=1297,1336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2372    46 GLU  HN          5.00    (#   2372:10  Single Ambig)
 &rst
  ixpk= 2372, nxpk= 10, iat=  -1, 745, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 730, 731, 764, 765, 766,
 &end
#
#   36 PHE  HA           69 MET  HN          5.00    (#   2373:10  Unique         4.85, 5.01 A)
 &rst
  ixpk= 2373, nxpk= 10, iat= 582,1116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2374    69 MET  HN          5.00    (#   2374:10  Single Ambig)
 &rst
  ixpk= 2374, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 628, 629,1134,1135,
 &end
#
#    0 AMB  10-2:2375    69 MET  HN          5.00    (#   2375:10  Single Ambig)
 &rst
  ixpk= 2375, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 628, 629,1134,1135,
 &end
#
#   77 ASP  HB-          79 GLY  HN          5.00    (#   2380:10  Unique         2.50, 3.55 A)
 &rst
  ixpk= 2380, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1244,1245,
 &end
#
#  140 VAL  MGX         137 GLU  HN          5.00    (#   2386:10  Unique         4.40, 6.78 A)
 &rst
  ixpk= 2386, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#   54 PHE  HD          137 GLU  HN          5.00    (#   2388:10  Unique         2.93, 5.59 A)
 &rst
  ixpk= 2388, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 871, 879,
 &end
#
#   59 GLN  HN           61 GLN  HN          5.00    (#   2389:10  Unique         3.71, 4.06 A)
 &rst
  ixpk= 2389, nxpk= 10, iat= 962, 991, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2390    61 GLN  HN          5.00    (#   2390:10  Single Ambig)
 &rst
  ixpk= 2390, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 485, 486, 482, 483,
 &end
#
#    0 AMB  10-2:2391    61 GLN  HN          5.00    (#   2391:10  Single Ambig)
 &rst
  ixpk= 2391, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 479, 480, 923, 924,
 &end
#
#  144 LEU  MDX          61 GLN  HN          5.00    (#   2392:10  Unique         5.09, 6.42 A)
 &rst
  ixpk= 2392, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#   62 LEU  MDY          61 GLN  HN          5.00    (#   2393:10  Unique         3.57, 6.29 A)
 &rst
  ixpk= 2393, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1017,1018,1019,1021,1022,1023,
 &end
#
#   94 ILE  HG1-         19 GLY  HN          5.00    (#   2394:10  Unique         4.96, 6.04 A)
 &rst
  ixpk= 2394, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1503,1504,
 &end
#
#   93 PRO  HB+          19 GLY  HN          5.00    (#   2396:10  Unique         3.51, 4.81 A)
 &rst
  ixpk= 2396, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1486,1487,
 &end
#
#   17 LEU  HN           19 GLY  HN          5.00    (#   2397:10  Unique         3.15, 3.34 A)
 &rst
  ixpk= 2397, nxpk= 10, iat= 274, 307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 LEU  HN          100 HIS  HN          5.00    (#   2401:10  Unique         4.54, 5.03 A)
 &rst
  ixpk= 2401, nxpk= 10, iat=1610,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   97 ASP  HB-         100 HIS  HN          5.00    (#   2406:10  Unique         1.99, 3.36 A)
 &rst
  ixpk= 2406, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1552,1553,
 &end
#
#    0 AMB  10-2:2409   105 ALA  HN          5.00    (#   2409:10  Single Ambig)
 &rst
  ixpk= 2409, nxpk= 10, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1614,1615, 138, 139,
 &end
#
#    0 AMB  10-2:2410   105 ALA  HN          5.00    (#   2410:10  Single Ambig)
 &rst
  ixpk= 2410, nxpk= 10, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1689,1690,1704,1705,
 &end
#
#  104 ASP  HB+         105 ALA  HN          3.00    (#   2411:10  Unique         2.66, 3.48 A)
 &rst
  ixpk= 2411, nxpk= 10, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1647,1648,
 &end
#
#  103 THR  HN          105 ALA  HN          5.00    (#   2414:10  Unique         3.96, 4.15 A)
 &rst
  ixpk= 2414, nxpk= 10, iat=1629,1655, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 LEU  HN          105 ALA  HN          5.00    (#   2415:10  Unique         4.53, 4.94 A)
 &rst
  ixpk= 2415, nxpk= 10, iat=1610,1655, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 LEU  HN          105 ALA  HN          5.00    (#   2416:10  Unique         4.53, 4.94 A)
 &rst
  ixpk= 2416, nxpk= 10, iat=1610,1655, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  111 VAL  HA          110 TYR  HN          5.00    (#   2420:10  Unique         4.08, 4.76 A)
 &rst
  ixpk= 2420, nxpk= 10, iat=1752,1729, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  108 ASN  HB+         110 TYR  HN          5.00    (#   2421:10  Unique         3.42, 4.98 A)
 &rst
  ixpk= 2421, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1704,1705,
 &end
#
#  111 VAL  MGY         110 TYR  HN          5.00    (#   2422:10  Unique         2.66, 5.28 A)
 &rst
  ixpk= 2422, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#  111 VAL  MGX         110 TYR  HN          5.00    (#   2423:10  Unique         2.66, 5.28 A)
 &rst
  ixpk= 2423, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#    0 AMB  10-2:2428   139 ARG  HN          5.00    (#   2428:10  Single Ambig)
 &rst
  ixpk= 2428, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2135,2269,
 &end
#
#  122 GLN  HE2-        122 GLN  HN          5.00    (#   2429:10  Unique         3.70, 5.43 A)
 &rst
  ixpk= 2429, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1935,1936,
 &end
#
#    0 AMB  10-2:2430     0 AMB  10-1:2430   5.00    (#   2430:10  Double Ambig)
 &rst
  ixpk= 2430, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1969,1970,1587,1588,
 igr2=1923,1685,
 &end
#
#  117 PHE  HB+         122 GLN  HN          4.00    (#   2431:10  Unique         2.66, 3.97 A)
 &rst
  ixpk= 2431, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1852,1853,
 &end
#
#  118 ASP  HB+         122 GLN  HN          5.00    (#   2432:10  Unique         2.33, 3.26 A)
 &rst
  ixpk= 2432, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1872,1873,
 &end
#
#  118 ASP  HB+         122 GLN  HN          5.00    (#   2433:10  Unique         2.33, 3.26 A)
 &rst
  ixpk= 2433, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1872,1873,
 &end
#
#   27 ILE  QG2         122 GLN  HN          5.00    (#   2434:10  Unique         4.46, 5.26 A)
 &rst
  ixpk= 2434, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 440, 441, 442,
 &end
#
#    0 AMB  10-2:2435     0 AMB  10-1:2435   5.00    (#   2435:10  Double Ambig)
 &rst
  ixpk= 2435, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1619,1620,1621,1623,1624,1625, 447, 448, 449,
 igr2=1685,1923,
 &end
#
#   17 LEU  MDY          86 ALA  HN          5.00    (#   2436:10  Unique         3.08, 5.90 A)
 &rst
  ixpk= 2436, nxpk= 10, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#   90 ILE  QD1          86 ALA  HN          5.00    (#   2437:10  Unique         5.12, 5.97 A)
 &rst
  ixpk= 2437, nxpk= 10, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1442,1443,1444,
 &end
#
#   71 ARG  HG-          72 SER  HN          5.00    (#   2438:10  Unique         4.40, 5.14 A)
 &rst
  ixpk= 2438, nxpk= 10, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1154,1155,
 &end
#
#   76 LEU  MDX          72 SER  HN          5.00    (#   2439:10  Unique         4.15, 6.83 A)
 &rst
  ixpk= 2439, nxpk= 10, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1230,1231,1232,1234,1235,1236,
 &end
#
#    3 LEU  HN            5 GLN  HN          5.00    (#   2441:10  Unique         3.68, 4.48 A)
 &rst
  ixpk= 2441, nxpk= 10, iat=  43,  86, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 ARG  HA            5 GLN  HN          4.00    (#   2445:10  Unique         2.89, 3.03 A)
 &rst
  ixpk= 2445, nxpk= 10, iat=  64,  86, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  144 LEU  MDY          62 LEU  HN          5.00    (#   2446:10  Unique         4.41, 5.66 A)
 &rst
  ixpk= 2446, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#   62 LEU  MDX          62 LEU  HN          4.00    (#   2447:10  Unique         1.91, 4.58 A)
 &rst
  ixpk= 2447, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1017,1018,1019,1021,1022,1023,
 &end
#
#   52 ASN  HB+          89 ASP  HN          5.00    (#   2448:10  Unique         5.45, 5.88 A)
 &rst
  ixpk= 2448, nxpk= 10, iat=  -1,1417, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 838, 839,
 &end
#
#   90 ILE  QD1          89 ASP  HN          5.00    (#   2449:10  Unique         3.40, 5.30 A)
 &rst
  ixpk= 2449, nxpk= 10, iat=  -1,1417, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1442,1443,1444,
 &end
#
#   81 ILE  QD1          80 LYS  HN          5.00    (#   2450:10  Unique         3.57, 5.31 A)
 &rst
  ixpk= 2450, nxpk= 10, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1308,1309,1310,
 &end
#
#    0 AMB  10-2:2451     0 AMB  10-1:2451   3.00    (#   2451:10  Double Ambig)
 &rst
  ixpk= 2451, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1280,1281,1604,1605,1606,
 igr2=1273,1600,
 &end
#
#   80 LYS  HE-          80 LYS  HN          5.00    (#   2452:10  Unique         3.18, 4.88 A)
 &rst
  ixpk= 2452, nxpk= 10, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1286,1287,
 &end
#
#    0 AMB  10-2:2453     0 AMB  10-1:2453   5.00    (#   2453:10  Double Ambig)
 &rst
  ixpk= 2453, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1587,1588,1297,
 igr2=1600,1273,
 &end
#
#   55 ARG  HA           54 PHE  HN          5.00    (#   2454:10  Unique         5.08, 5.25 A)
 &rst
  ixpk= 2454, nxpk= 10, iat= 885, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2455    54 PHE  HN          5.00    (#   2455:10  Single Ambig)
 &rst
  ixpk= 2455, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 887, 888,2086,2087,
 &end
#
#    0 AMB  10-2:2456    54 PHE  HN          5.00    (#   2456:10  Single Ambig)
 &rst
  ixpk= 2456, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 805, 806, 808, 809,
 &end
#
#    0 AMB  10-2:2457    54 PHE  HN          5.00    (#   2457:10  Single Ambig)
 &rst
  ixpk= 2457, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 926, 927,1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  10-2:2461   138 LYS  HN          5.00    (#   2461:10  Single Ambig)
 &rst
  ixpk= 2461, nxpk= 10, iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2144,2145,2146,2148,2149,2150,2106,2107,
 &end
#
#    0 AMB  10-2:2462   138 LYS  HN          5.00    (#   2462:10  Single Ambig)
 &rst
  ixpk= 2462, nxpk= 10, iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2139,2140,2142,
 &end
#
#  136 LEU  HA          138 LYS  HN          5.00    (#   2464:10  Unique         3.59, 3.75 A)
 &rst
  ixpk= 2464, nxpk= 10, iat=2137,2169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  139 ARG  HA          138 LYS  HN          5.00    (#   2465:10  Unique         4.80, 4.89 A)
 &rst
  ixpk= 2465, nxpk= 10, iat=2193,2169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  125 HIS  HD2         125 HIS  HN          5.00    (#   2466:10  Unique         4.38, 4.78 A)
 &rst
  ixpk= 2466, nxpk= 10, iat=1996,1983, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2467   125 HIS  HN          5.00    (#   2467:10  Single Ambig)
 &rst
  ixpk= 2467, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2004,2005,2201,2202,
 &end
#
#    0 AMB  10-2:2468   125 HIS  HN          5.00    (#   2468:10  Single Ambig)
 &rst
  ixpk= 2468, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1969,1970,1852,1853,
 &end
#
#  124 ARG  HG-         125 HIS  HN          5.00    (#   2469:10  Unique         4.30, 4.84 A)
 &rst
  ixpk= 2469, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1966,1967,
 &end
#
#   39 ILE  QD1          77 ASP  HN          5.00    (#   2470:10  Unique         4.30, 5.67 A)
 &rst
  ixpk= 2470, nxpk= 10, iat=  -1,1240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 648, 649, 650,
 &end
#
#    0 AMB  10-2:2471     0 AMB  10-1:2471   4.00    (#   2471:10  Double Ambig)
 &rst
  ixpk= 2471, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1253,1254, 865,
 igr2=1240, 848,
 &end
#
#  147 THR  MG2         146 GLU  HN          5.00    (#   2473:10  Unique         4.67, 5.89 A)
 &rst
  ixpk= 2473, nxpk= 10, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2335,2336,2337,
 &end
#
#  142 ARG  HB+         143 VAL  HN          3.00    (#   2474:10  Unique         2.46, 3.31 A)
 &rst
  ixpk= 2474, nxpk= 10, iat=  -1,2269, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2249,2250,
 &end
#
#   90 ILE  HN           88 HIS  HN          5.00    (#   2475:10  Unique         3.29, 4.05 A)
 &rst
  ixpk= 2475, nxpk= 10, iat=1429,1400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 ILE  HG1-         88 HIS  HN          5.00    (#   2476:10  Unique         3.38, 4.20 A)
 &rst
  ixpk= 2476, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1439,1440,
 &end
#
#   90 ILE  HG1+         88 HIS  HN          5.00    (#   2477:10  Unique         3.38, 4.20 A)
 &rst
  ixpk= 2477, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1439,1440,
 &end
#
#   23 ARG  HN           22 THR  HN          5.00    (#   2479:10  Unique         4.45, 4.49 A)
 &rst
  ixpk= 2479, nxpk= 10, iat= 359, 345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  130 GLY  HA-         136 LEU  HN          5.00    (#   2480:10  Unique         3.60, 5.53 A)
 &rst
  ixpk= 2480, nxpk= 10, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2056,2057,
 &end
#
#   21 VAL  MGX          25 GLN  HN          4.00    (#   2481:10  Unique         3.34, 5.73 A)
 &rst
  ixpk= 2481, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 335, 336, 337, 339, 340, 341,
 &end
#
#   23 ARG  HN           25 GLN  HN          5.00    (#   2482:10  Unique         4.35, 4.56 A)
 &rst
  ixpk= 2482, nxpk= 10, iat= 359, 398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  128 ALA  MB          113 ALA  HN          5.00    (#   2483:10  Unique         4.12, 5.33 A)
 &rst
  ixpk= 2483, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2041,2042,2043,
 &end
#
#   35 HIS  HB-         113 ALA  HN          5.00    (#   2484:10  Unique         3.53, 4.39 A)
 &rst
  ixpk= 2484, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 567, 568,
 &end
#
#   36 PHE  HA          113 ALA  HN          5.00    (#   2486:10  Unique         4.43, 4.68 A)
 &rst
  ixpk= 2486, nxpk= 10, iat= 582,1780, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  129 GLY  HN          113 ALA  HN          5.00    (#   2488:10  Unique         4.76, 4.97 A)
 &rst
  ixpk= 2488, nxpk= 10, iat=2047,1780, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  114 TYR  HN          113 ALA  HN          5.00    (#   2489:10  Unique         4.18, 4.30 A)
 &rst
  ixpk= 2489, nxpk= 10, iat=1790,1780, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  114 TYR  HN          113 ALA  HN          5.00    (#   2490:10  Unique         4.18, 4.30 A)
 &rst
  ixpk= 2490, nxpk= 10, iat=1790,1780, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2491   113 ALA  HN          5.00    (#   2491:10  Single Ambig)
 &rst
  ixpk= 2491, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 600,1811,
 &end
#
#    0 AMB  10-2:2492    45 LYS  HN          5.00    (#   2492:10  Single Ambig)
 &rst
  ixpk= 2492, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 684, 747,2074,2075, 619,
 &end
#
#    0 AMB  10-2:2493    41 CYS  HN          5.00    (#   2493:10  Single Ambig)
 &rst
  ixpk= 2493, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1756,1757,1758,1760,1761,1762, 648, 649, 650,
 &end
#
#   42 HIS  HA           41 CYS  HN          5.00    (#   2494:10  Unique         4.62, 4.82 A)
 &rst
  ixpk= 2494, nxpk= 10, iat= 678, 665, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 CYS  HN           41 CYS  HN          5.00    (#   2495:10  Unique         4.44, 4.67 A)
 &rst
  ixpk= 2495, nxpk= 10, iat= 712, 665, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 LYS  HD+          41 CYS  HN          5.00    (#   2499:10  Unique         3.15, 4.21 A)
 &rst
  ixpk= 2499, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 733, 734,
 &end
#
#  102 LEU  MDY          11 THR  HN          5.00    (#   2500:10  Unique         2.90, 5.83 A)
 &rst
  ixpk= 2500, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#    9 GLU  HB-          11 THR  HN          5.00    (#   2501:10  Unique         3.53, 5.00 A)
 &rst
  ixpk= 2501, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 152, 153,
 &end
#
#   10 LEU  HN           11 THR  HN          5.00    (#   2502:10  Unique         2.93, 3.82 A)
 &rst
  ixpk= 2502, nxpk= 10, iat= 163, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 ASP  HB+          59 GLN  HN          5.00    (#   2504:10  Unique         5.43, 5.70 A)
 &rst
  ixpk= 2504, nxpk= 10, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 911, 912,
 &end
#
#    0 AMB  10-2:2505    59 GLN  HN          5.00    (#   2505:10  Single Ambig)
 &rst
  ixpk= 2505, nxpk= 10, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 890, 891, 923, 924,
 &end
#
#    0 AMB  10-2:2506    59 GLN  HN          5.00    (#   2506:10  Single Ambig)
 &rst
  ixpk= 2506, nxpk= 10, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1047,1048,1049,1051,1052,1053, 926, 927,
 &end
#
#   62 LEU  MDY          59 GLN  HN          5.00    (#   2507:10  Unique         5.32, 7.61 A)
 &rst
  ixpk= 2507, nxpk= 10, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1017,1018,1019,1021,1022,1023,
 &end
#
#    0 AMB  10-2:2508    27 ILE  HN          5.00    (#   2508:10  Single Ambig)
 &rst
  ixpk= 2508, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 455, 456, 349,1904,
 &end
#
#    2 LYS  HN            5 GLN  HE2+        5.00    (#   2515:10  Unique         1.86, 4.01 A)
 &rst
  ixpk= 2515, nxpk= 10, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  98,  99,
 &end
#
#    3 LEU  HN            5 GLN  HE2+        5.00    (#   2516:10  Unique         4.31, 5.41 A)
 &rst
  ixpk= 2516, nxpk= 10, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  98,  99,
 &end
#
#    0 AMB  10-2:2517     0 AMB  10-1:2517   5.00    (#   2517:10  Double Ambig)
 &rst
  ixpk= 2517, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=  88,  23,
 igr2=  98,  99,  98,  99,
 &end
#
#    6 PRO  HD-           5 GLN  HE2+        5.00    (#   2518:10  Unique         4.93, 6.66 A)
 &rst
  ixpk= 2518, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 104, 105,
 igr2=  98,  99,
 &end
#
#    5 GLN  HB+           5 GLN  HE2+        5.00    (#   2519:10  Unique         1.76, 2.97 A)
 &rst
  ixpk= 2519, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  90,  91,
 igr2=  98,  99,
 &end
#
#    5 GLN  HB-           5 GLN  HE2+        5.00    (#   2520:10  Unique         1.76, 2.97 A)
 &rst
  ixpk= 2520, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  90,  91,
 igr2=  98,  99,
 &end
#
#    0 AMB  10-2:2521     0 AMB  10-1:2521   5.00    (#   2521:10  Double Ambig)
 &rst
  ixpk= 2521, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=   8,   9,1944,1945,
 igr2=  98,  99,  98,  99,
 &end
#
#    1 MET  HB+           5 GLN  HE2+        5.00    (#   2522:10  Unique         1.92, 3.32 A)
 &rst
  ixpk= 2522, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=   8,   9,
 igr2=  98,  99,
 &end
#
#   90 ILE  HG1+         91 THR  HN          5.00    (#   2523:10  Unique         4.13, 5.16 A)
 &rst
  ixpk= 2523, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1439,1440,
 &end
#
#   90 ILE  HG1-         91 THR  HN          5.00    (#   2524:10  Unique         4.13, 5.16 A)
 &rst
  ixpk= 2524, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1439,1440,
 &end
#
#   92 GLN  HB-          91 THR  HN          5.00    (#   2525:10  Unique         3.85, 4.95 A)
 &rst
  ixpk= 2525, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1466,1467,
 &end
#
#   92 GLN  HA           91 THR  HN          5.00    (#   2528:10  Unique         4.46, 4.72 A)
 &rst
  ixpk= 2528, nxpk= 10, iat=1464,1448, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 ILE  HN           91 THR  HN          5.00    (#   2529:10  Unique         3.81, 4.23 A)
 &rst
  ixpk= 2529, nxpk= 10, iat=1429,1448, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ASN  HA           63 ASN  HD2+        5.00    (#   2530:10  Unique         3.81, 4.36 A)
 &rst
  ixpk= 2530, nxpk= 10, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1036,1037,
 &end
#
#   94 ILE  HG1-         18 ASN  HD2-        5.00    (#   2532:10  Unique         2.04, 4.49 A)
 &rst
  ixpk= 2532, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1503,1504,
 igr2= 302, 303,
 &end
#
#   91 THR  MG2          18 ASN  HD2-        5.00    (#   2533:10  Unique         4.33, 5.69 A)
 &rst
  ixpk= 2533, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1454,1455,1456,
 igr2= 302, 303,
 &end
#
#   94 ILE  HB           18 ASN  HD2-        5.00    (#   2534:10  Unique         3.93, 5.51 A)
 &rst
  ixpk= 2534, nxpk= 10, iat=1497,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 302, 303,
 &end
#
#   50 GLN  HG+          52 ASN  HD2+        5.00    (#   2535:10  Unique         5.55, 6.68 A)
 &rst
  ixpk= 2535, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 808, 809,
 igr2= 843, 844,
 &end
#
#   36 PHE  HB-         108 ASN  HD2+        5.00    (#   2537:10  Unique         1.93, 4.04 A)
 &rst
  ixpk= 2537, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 584, 585,
 igr2=1709,1710,
 &end
#
#    0 AMB  10-2:2538     0 AMB  10-1:2538   5.00    (#   2538:10  Double Ambig)
 &rst
  ixpk= 2538, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1718,1719,1617,
 igr2=1709,1710,1709,1710,
 &end
#
#    0 AMB  10-2:2539   117 PHE  HN          5.00    (#   2539:10  Single Ambig)
 &rst
  ixpk= 2539, nxpk= 10, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2221,2222,2223,2225,2226,2227,1949,1950,1951,1953,
      1954,1955,
 &end
#
#  120 THR  MG2         122 GLN  HE2-        5.00    (#   2542:10  Unique         1.91, 4.23 A)
 &rst
  ixpk= 2542, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1908,1909,1910,
 igr2=1935,1936,
 &end
#
#    3 LEU  MDX         126 PHE  HN          5.00    (#   2544:10  Unique         3.13, 5.68 A)
 &rst
  ixpk= 2544, nxpk= 10, iat=  -1,2000, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#  108 ASN  HN          109 GLU  HN          5.00    (#   2546:10  Unique         4.25, 4.52 A)
 &rst
  ixpk= 2546, nxpk= 10, iat=1700,1714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  111 VAL  MGX          37 TRP  HN          5.00    (#   2550:10  Unique         2.61, 5.05 A)
 &rst
  ixpk= 2550, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#   67 VAL  HB           37 TRP  HN          5.00    (#   2551:10  Unique         3.87, 4.14 A)
 &rst
  ixpk= 2551, nxpk= 10, iat=1087, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2554   136 LEU  HN          5.00    (#   2554:10  Single Ambig)
 &rst
  ixpk= 2554, nxpk= 10, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=2090,2091,2092,2176,2177,
 &end
#
#    2 LYS  HN            5 GLN  HN          5.00    (#   2555:10  Unique         4.08, 4.85 A)
 &rst
  ixpk= 2555, nxpk= 10, iat=  21,  86, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2557    53 GLU  HN          5.00    (#   2557:10  Single Ambig)
 &rst
  ixpk= 2557, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 805, 806, 808, 809,
 &end
#
#  119 LYS  HA           29 GLU  HN          5.00    (#   2558:10  Unique         3.98, 4.41 A)
 &rst
  ixpk= 2558, nxpk= 10, iat=1882, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 LEU  HA          104 ASP  HN          5.00    (#   2562:10  Unique         3.24, 3.38 A)
 &rst
  ixpk= 2562, nxpk= 10, iat=1612,1643, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   97 ASP  HA           98 SER  HN          4.00    (#   2564:10  Unique         2.27, 2.67 A)
 &rst
  ixpk= 2564, nxpk= 10, iat=1550,1560, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   98 SER  HB+          98 SER  HN          4.00    (#   2565:10  Unique         2.20, 2.96 A)
 &rst
  ixpk= 2565, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1564,1565,
 &end
#
#   97 ASP  HA           99 ASP  HN          5.00    (#   2566:10  Unique         3.51, 4.15 A)
 &rst
  ixpk= 2566, nxpk= 10, iat=1550,1571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   96 VAL  MGX          98 SER  HN          5.00    (#   2567:10  Unique         2.93, 6.23 A)
 &rst
  ixpk= 2567, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1538,1539,1540,1542,1543,1544,
 &end
#
#   45 LYS  HA           48 MET  HN          4.00    (#   2568:10  Unique         2.88, 3.18 A)
 &rst
  ixpk= 2568, nxpk= 10, iat= 725, 770, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:2569     0 AMB  10-1:2569   4.00    (#   2569:10  Double Ambig)
 &rst
  ixpk= 2569, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 803,1109,
 igr2= 848,1240,
 &end
#
#  123 LEU  HN          124 ARG  HN          5.00    (#   2570:10  Unique         4.44, 4.56 A)
 &rst
  ixpk= 2570, nxpk= 10, iat=1940,1959, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  124 ARG  HG+         125 HIS  HN          5.00    (#   2571:10  Unique         4.30, 4.84 A)
 &rst
  ixpk= 2571, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1966,1967,
 &end
#
#   63 ASN  HA           63 ASN  HD2-        5.00    (#   2572:10  Unique         3.81, 4.36 A)
 &rst
  ixpk= 2572, nxpk= 10, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1036,1037,
 &end
#
#  116 VAL  HN          117 PHE  HN          5.00    (#   2573:10  Unique         4.25, 4.46 A)
 &rst
  ixpk= 2573, nxpk= 10, iat=1832,1848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 ILE  HN          117 PHE  HN          5.00    (#   2574:10  Unique         4.78, 4.89 A)
 &rst
  ixpk= 2574, nxpk= 10, iat= 544,1848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2575    33 LEU  HN          4.00    (#   2575:10  Single Ambig)
 &rst
  ixpk= 2575, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 534, 535, 536, 538, 539, 540,1047,1048,1049,1051,
      1052,1053,1012,1013,
 &end
#
#   94 ILE  HG1-         94 ILE  HN          5.00    (#   2576:10  Unique         2.04, 3.02 A)
 &rst
  ixpk= 2576, nxpk= 10, iat=  -1,1493, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1503,1504,
 &end
#
#   90 ILE  QG2          90 ILE  HN          4.00    (#   2577:10  Unique         3.11, 4.18 A)
 &rst
  ixpk= 2577, nxpk= 10, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1435,1436,1437,
 &end
#
#   55 ARG  HA           55 ARG  HN          5.00    (#   2578:10  Unique         2.70, 2.74 A)
 &rst
  ixpk= 2578, nxpk= 10, iat= 885, 883, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 ARG  HB+          55 ARG  HN          4.00    (#   2579:10  Unique         2.03, 2.52 A)
 &rst
  ixpk= 2579, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 887, 888,
 &end
#
#  138 LYS  HB+         139 ARG  HN          3.00    (#   2580:10  Unique         2.49, 3.47 A)
 &rst
  ixpk= 2580, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2173,2174,
 &end
#
#   52 ASN  HA           55 ARG  HN          4.00    (#   2581:10  Unique         3.45, 3.72 A)
 &rst
  ixpk= 2581, nxpk= 10, iat= 836, 883, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:2582    25 GLN  HN          3.00    (#   2582:10  Single Ambig)
 &rst
  ixpk= 2582, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 390, 391, 405, 406,
 &end
#
#    0 AMB  10-2:2583    95 PHE  HN          5.00    (#   2583:10  Single Ambig)
 &rst
  ixpk= 2583, nxpk= 10, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1099,1548,
 &end
#
#    0 AMB  10-2:2585    37 TRP  HN          5.00    (#   2585:10  Single Ambig)
 &rst
  ixpk= 2585, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 604, 605, 584, 585,
 &end
#
#  107 GLU  HG-         107 GLU  HN          4.00    (#   2586:10  Unique         4.05, 4.41 A)
 &rst
  ixpk= 2586, nxpk= 10, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1692,1693,
 &end
#
#  107 GLU  HB+         107 GLU  HN          3.00    (#   2587:10  Unique         3.06, 3.57 A)
 &rst
  ixpk= 2587, nxpk= 10, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1689,1690,
 &end
#
#   30 LYS  HB+          30 LYS  HN          4.00    (#   2588:10  Unique         2.40, 3.13 A)
 &rst
  ixpk= 2588, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 479, 480,
 &end
#
#   37 TRP  HD1           0 AMB  10-1:2589   5.00    (#   2589:10  Single Ambig)
 &rst
  ixpk= 2589, nxpk= 10, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1099, 563,
 &end
#
#  119 LYS  HA           32 THR  HN          5.00    (#   2590:10  Unique         3.72, 3.90 A)
 &rst
  ixpk= 2590, nxpk= 10, iat=1882, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 LYS  HB+          14 LYS  HN          5.00    (#   2592:10  Unique         2.39, 3.24 A)
 &rst
  ixpk= 2592, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 222, 223,
 &end
#
#  106 PHE  HA          107 GLU  HN          4.00    (#   2594:10  Unique         3.50, 3.57 A)
 &rst
  ixpk= 2594, nxpk= 10, iat=1667,1685, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:2595     0 AMB  10-1:2595   4.00    (#   2595:10  Double Ambig)
 &rst
  ixpk= 2595, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1918,1919,1633,
 igr2=1923,1685,
 &end
#
#  122 GLN  HB+         122 GLN  HN          4.00    (#   2596:10  Unique         2.16, 3.08 A)
 &rst
  ixpk= 2596, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1927,1928,
 &end
#
#  123 LEU  HN            7 MET  HN          5.00    (#   2597:10  Unique         3.64, 4.52 A)
 &rst
  ixpk= 2597, nxpk= 10, iat=1940, 117, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  125 HIS  HD2         126 PHE  HN          5.00    (#   2598:10  Unique         2.40, 2.96 A)
 &rst
  ixpk= 2598, nxpk= 10, iat=1996,2000, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 LEU  MDX         101 ALA  HN          5.00    (#   2600:10  Unique         3.07, 5.82 A)
 &rst
  ixpk= 2600, nxpk= 10, iat=  -1,1600, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#    0 AMB  10-2:2601    33 LEU  HN          5.00    (#   2601:10  Single Ambig)
 &rst
  ixpk= 2601, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 532, 422, 419, 420,
 &end
#
#   65 VAL  HN           64 VAL  HA          3.00    (#      0:20  Unique         2.20, 2.30 A)
 &rst
  ixpk= 0, nxpk= 20, iat=1057,1043, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   64 VAL  HN           64 VAL  HA          5.00    (#      1:20  Unique         2.89, 2.93 A)
 &rst
  ixpk= 1, nxpk= 20, iat=1041,1043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 LEU  HN           64 VAL  HA          5.00    (#      2:20  Unique         2.57, 2.99 A)
 &rst
  ixpk= 2, nxpk= 20, iat= 525,1043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 LEU  HN           32 THR  HA          4.00    (#      4:20  Unique         2.21, 2.31 A)
 &rst
  ixpk= 4, nxpk= 20, iat= 525, 513, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   63 ASN  HN           32 THR  HA          4.00    (#      6:20  Unique         2.74, 2.92 A)
 &rst
  ixpk= 6, nxpk= 20, iat=1027, 513, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 THR  HN           32 THR  HA          5.00    (#      7:20  Unique         2.93, 2.94 A)
 &rst
  ixpk= 7, nxpk= 20, iat= 511, 513, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HN           34 ILE  HA          3.00    (#      8:20  Unique         2.18, 2.18 A)
 &rst
  ixpk= 8, nxpk= 20, iat= 563, 546, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   34 ILE  HN           34 ILE  HA          5.00    (#      9:20  Unique         2.92, 2.94 A)
 &rst
  ixpk= 9, nxpk= 20, iat= 544, 546, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   66 ALA  HN           94 ILE  HA          5.00    (#     10:20  Unique         2.30, 2.69 A)
 &rst
  ixpk= 10, nxpk= 20, iat=1073,1495, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   95 PHE  HN           94 ILE  HA          4.00    (#     11:20  Unique         2.18, 2.19 A)
 &rst
  ixpk= 11, nxpk= 20, iat=1512,1495, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 HIS  HA          114 TYR  HA          5.00    (#     12:20  Unique         1.86, 1.94 A)
 &rst
  ixpk= 12, nxpk= 20, iat= 565,1792, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  115 TYR  HN          114 TYR  HA          4.00    (#     13:20  Unique         2.19, 2.20 A)
 &rst
  ixpk= 13, nxpk= 20, iat=1811,1792, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  114 TYR  HN          114 TYR  HA          5.00    (#     14:20  Unique         2.89, 2.92 A)
 &rst
  ixpk= 14, nxpk= 20, iat=1790,1792, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:15     114 TYR  HA          6.00    (#     15:20  Single Ambig)
 &rst
  ixpk= 15, nxpk= 20, iat=  -1,1792, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 576,1739,1744,
 &end
#
#   17 LEU  HN           16 TRP  HA          4.00    (#     16:20  Unique         2.21, 2.27 A)
 &rst
  ixpk= 16, nxpk= 20, iat= 274, 252, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   96 VAL  HN           16 TRP  HA          5.00    (#     17:20  Unique         2.92, 3.63 A)
 &rst
  ixpk= 17, nxpk= 20, iat=1532, 252, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 TRP  HN           36 PHE  HA          4.00    (#     19:20  Unique         2.19, 2.22 A)
 &rst
  ixpk= 19, nxpk= 20, iat= 600, 582, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  113 ALA  HN           36 PHE  HA          6.00    (#     20:20  Unique         4.43, 4.68 A)
 &rst
  ixpk= 20, nxpk= 20, iat=1780, 582, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:21      36 PHE  HA          5.00    (#     21:20  Single Ambig)
 &rst
  ixpk= 21, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 608, 588, 596,
 &end
#
#  110 TYR  HE           36 PHE  HA          5.00    (#     22:20  Unique         5.08, 7.21 A)
 &rst
  ixpk= 22, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1739,1744,
 &end
#
#   67 VAL  HN           36 PHE  HA          5.00    (#     23:20  Unique         2.24, 2.48 A)
 &rst
  ixpk= 23, nxpk= 20, iat=1083, 582, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 PHE  HN          117 PHE  HA          5.00    (#     24:20  Unique         2.91, 2.92 A)
 &rst
  ixpk= 24, nxpk= 20, iat=1848,1850, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  124 ARG  HN          117 PHE  HA          5.00    (#     25:20  Unique         2.54, 2.75 A)
 &rst
  ixpk= 25, nxpk= 20, iat=1959,1850, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  118 ASP  HN          117 PHE  HA          4.00    (#     26:20  Unique         2.19, 2.22 A)
 &rst
  ixpk= 26, nxpk= 20, iat=1868,1850, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  125 HIS  HN          117 PHE  HA          5.00    (#     27:20  Unique         4.21, 4.35 A)
 &rst
  ixpk= 27, nxpk= 20, iat=1983,1850, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 TRP  HN           37 TRP  HA          5.00    (#     30:20  Unique         2.88, 2.92 A)
 &rst
  ixpk= 30, nxpk= 20, iat= 600, 602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 SER  HN           37 TRP  HA          4.00    (#     31:20  Unique         2.32, 2.44 A)
 &rst
  ixpk= 31, nxpk= 20, iat= 624, 602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  126 PHE  HN          126 PHE  HA          4.00    (#     32:20  Unique         2.87, 2.89 A)
 &rst
  ixpk= 32, nxpk= 20, iat=2000,2002, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  116 VAL  HN          126 PHE  HA          5.00    (#     33:20  Unique         2.88, 3.03 A)
 &rst
  ixpk= 33, nxpk= 20, iat=1832,2002, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  127 GLN  HN          126 PHE  HA          3.00    (#     34:20  Unique         2.19, 2.21 A)
 &rst
  ixpk= 34, nxpk= 20, iat=2020,2002, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  115 TYR  HE          126 PHE  HA          5.00    (#     35:20  Unique         5.16, 5.82 A)
 &rst
  ixpk= 35, nxpk= 20, iat=  -1,2002, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1821,1826,
 &end
#
#  125 HIS  HD2         126 PHE  HA          5.00    (#     36:20  Unique         2.88, 3.12 A)
 &rst
  ixpk= 36, nxpk= 20, iat=1996,2002, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 PHE  HN           33 LEU  HA          5.00    (#     37:20  Unique         3.27, 3.45 A)
 &rst
  ixpk= 37, nxpk= 20, iat=1848, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 ILE  HN           33 LEU  HA          4.00    (#     38:20  Unique         2.18, 2.19 A)
 &rst
  ixpk= 38, nxpk= 20, iat= 544, 527, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 LEU  HN           33 LEU  HA          5.00    (#     39:20  Unique         2.90, 2.92 A)
 &rst
  ixpk= 39, nxpk= 20, iat= 525, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:40      33 LEU  HA          5.00    (#     40:20  Single Ambig)
 &rst
  ixpk= 40, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1057, 563,1027,
 &end
#
#   35 HIS  HN           35 HIS  HA          5.00    (#     41:20  Unique         2.93, 2.93 A)
 &rst
  ixpk= 41, nxpk= 20, iat= 563, 565, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 PHE  HN           35 HIS  HA          4.00    (#     43:20  Unique         2.19, 2.24 A)
 &rst
  ixpk= 43, nxpk= 20, iat= 580, 565, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:44      64 VAL  HA          5.00    (#     44:20  Single Ambig)
 &rst
  ixpk= 44, nxpk= 20, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1061, 554, 555,
 &end
#
#   33 LEU  HB-          64 VAL  HA          5.00    (#     45:20  Unique         2.27, 3.35 A)
 &rst
  ixpk= 45, nxpk= 20, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 529, 530,
 &end
#
#   33 LEU  HB+          64 VAL  HA          5.00    (#     46:20  Unique         2.27, 3.35 A)
 &rst
  ixpk= 46, nxpk= 20, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 529, 530,
 &end
#
#   64 VAL  HB           64 VAL  HA          4.00    (#     47:20  Unique         2.94, 2.98 A)
 &rst
  ixpk= 47, nxpk= 20, iat=1045,1043, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   64 VAL  MGY          64 VAL  HA          3.00    (#     48:20  Unique         2.01, 3.15 A)
 &rst
  ixpk= 48, nxpk= 20, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#   64 VAL  MGX          64 VAL  HA          3.00    (#     49:20  Unique         2.01, 3.15 A)
 &rst
  ixpk= 49, nxpk= 20, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  20-2:51      64 VAL  HA          5.00    (#     51:20  Single Ambig)
 &rst
  ixpk= 51, nxpk= 20, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 527, 546,
 &end
#
#   62 LEU  HA           32 THR  HA          6.00    (#     52:20  Unique         4.51, 4.94 A)
 &rst
  ixpk= 52, nxpk= 20, iat=1010, 513, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   63 ASN  HB-          32 THR  HA          5.00    (#     53:20  Unique         2.08, 3.23 A)
 &rst
  ixpk= 53, nxpk= 20, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1031,1032,
 &end
#
#   63 ASN  HB+          32 THR  HA          5.00    (#     54:20  Unique         2.08, 3.23 A)
 &rst
  ixpk= 54, nxpk= 20, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1031,1032,
 &end
#
#    0 AMB  20-2:55      32 THR  HA          5.00    (#     55:20  Single Ambig)
 &rst
  ixpk= 55, nxpk= 20, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=1012,1013, 504, 505, 554, 555, 501, 502, 479, 480,
      
 &end
#
#   32 THR  MG2          32 THR  HA          4.00    (#     56:20  Unique         2.49, 3.34 A)
 &rst
  ixpk= 56, nxpk= 20, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 517, 518, 519,
 &end
#
#    0 AMB  20-2:57      32 THR  HA          4.00    (#     57:20  Single Ambig)
 &rst
  ixpk= 57, nxpk= 20, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1017,1018,1019,1021,1022,1023, 424, 425, 426, 428,
       429, 430,
 &end
#
#   65 VAL  MGX          34 ILE  HA          4.00    (#     58:20  Unique         1.89, 3.72 A)
 &rst
  ixpk= 58, nxpk= 20, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1063,1064,1065,1067,1068,1069,
 &end
#
#   34 ILE  HG1+         34 ILE  HA          4.00    (#     59:20  Unique         2.44, 2.92 A)
 &rst
  ixpk= 59, nxpk= 20, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 554, 555,
 &end
#
#   34 ILE  HG1-         34 ILE  HA          4.00    (#     60:20  Unique         2.44, 2.92 A)
 &rst
  ixpk= 60, nxpk= 20, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 554, 555,
 &end
#
#   34 ILE  QG2          34 ILE  HA          4.00    (#     61:20  Unique         2.24, 3.06 A)
 &rst
  ixpk= 61, nxpk= 20, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 550, 551, 552,
 &end
#
#   64 VAL  HA           34 ILE  HA          5.00    (#     62:20  Unique         4.68, 4.95 A)
 &rst
  ixpk= 62, nxpk= 20, iat=1043, 546, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 ILE  QG2          94 ILE  HA          4.00    (#     63:20  Unique         2.22, 3.08 A)
 &rst
  ixpk= 63, nxpk= 20, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1499,1500,1501,
 &end
#
#    0 AMB  20-2:64      94 ILE  HA          6.00    (#     64:20  Single Ambig)
 &rst
  ixpk= 64, nxpk= 20, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1497,1061,
 &end
#
#   94 ILE  HG1+         94 ILE  HA          6.00    (#     65:20  Unique         2.32, 3.15 A)
 &rst
  ixpk= 65, nxpk= 20, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1503,1504,
 &end
#
#   35 HIS  HB-         114 TYR  HA          5.00    (#     66:20  Unique         1.82, 2.50 A)
 &rst
  ixpk= 66, nxpk= 20, iat=  -1,1792, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 567, 568,
 &end
#
#  114 TYR  HB-         114 TYR  HA          5.00    (#     67:20  Unique         2.32, 2.69 A)
 &rst
  ixpk= 67, nxpk= 20, iat=  -1,1792, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1794,1795,
 &end
#
#   35 HIS  HB+         114 TYR  HA          5.00    (#     68:20  Unique         1.82, 2.50 A)
 &rst
  ixpk= 68, nxpk= 20, iat=  -1,1792, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 567, 568,
 &end
#
#  114 TYR  HB+         114 TYR  HA          5.00    (#     69:20  Unique         2.32, 2.69 A)
 &rst
  ixpk= 69, nxpk= 20, iat=  -1,1792, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1794,1795,
 &end
#
#   33 LEU  MDY         114 TYR  HA          5.00    (#     70:20  Unique         3.36, 5.16 A)
 &rst
  ixpk= 70, nxpk= 20, iat=  -1,1792, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#   16 TRP  HB-          16 TRP  HA          4.00    (#     71:20  Unique         2.24, 2.49 A)
 &rst
  ixpk= 71, nxpk= 20, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 254, 255,
 &end
#
#   16 TRP  HB+          16 TRP  HA          4.00    (#     72:20  Unique         2.24, 2.49 A)
 &rst
  ixpk= 72, nxpk= 20, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 254, 255,
 &end
#
#    0 AMB  20-2:73      16 TRP  HA          5.00    (#     73:20  Single Ambig)
 &rst
  ixpk= 73, nxpk= 20, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 281, 278, 279,
 &end
#
#   15 ALA  MB           16 TRP  HA          6.00    (#     74:20  Unique         4.32, 5.03 A)
 &rst
  ixpk= 74, nxpk= 20, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 244, 245, 246,
 &end
#
#    0 AMB  20-2:75      16 TRP  HA          5.00    (#     75:20  Single Ambig)
 &rst
  ixpk= 75, nxpk= 20, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1538,1539,1540,1542,1543,1544, 283, 284, 285, 287,
       288, 289,
 &end
#
#    0 AMB  20-2:76      16 TRP  HA          5.00    (#     76:20  Single Ambig)
 &rst
  ixpk= 76, nxpk= 20, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1538,1539,1540,1542,1543,1544, 283, 284, 285, 287,
       288, 289,
 &end
#
#   36 PHE  HB-          36 PHE  HA          4.00    (#     77:20  Unique         2.47, 2.83 A)
 &rst
  ixpk= 77, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 584, 585,
 &end
#
#   67 VAL  HB           36 PHE  HA          4.00    (#     78:20  Unique         2.06, 2.54 A)
 &rst
  ixpk= 78, nxpk= 20, iat=1087, 582, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  111 VAL  MGX          36 PHE  HA          5.00    (#     79:20  Unique         3.67, 5.75 A)
 &rst
  ixpk= 79, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#   67 VAL  MGY          36 PHE  HA          5.00    (#     80:20  Unique         2.00, 4.48 A)
 &rst
  ixpk= 80, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   67 VAL  MGX          36 PHE  HA          5.00    (#     81:20  Unique         2.00, 4.48 A)
 &rst
  ixpk= 81, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#    0 AMB  20-2:82     117 PHE  HA          5.00    (#     82:20  Single Ambig)
 &rst
  ixpk= 82, nxpk= 20, iat=  -1,1850, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 128, 129, 130,1944,1945,
 &end
#
#  123 LEU  MDX         117 PHE  HA          5.00    (#     83:20  Unique         3.40, 5.61 A)
 &rst
  ixpk= 83, nxpk= 20, iat=  -1,1850, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#  123 LEU  MDY         117 PHE  HA          5.00    (#     84:20  Unique         3.40, 5.61 A)
 &rst
  ixpk= 84, nxpk= 20, iat=  -1,1850, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#  123 LEU  HA          117 PHE  HA          5.00    (#     85:20  Unique         2.28, 2.53 A)
 &rst
  ixpk= 85, nxpk= 20, iat=1942,1850, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:86     117 PHE  HA          5.00    (#     86:20  Single Ambig)
 &rst
  ixpk= 86, nxpk= 20, iat=  -1,1850, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1852,1853,1969,1970,
 &end
#
#  117 PHE  HB+         117 PHE  HA          5.00    (#     87:20  Unique         2.48, 2.82 A)
 &rst
  ixpk= 87, nxpk= 20, iat=  -1,1850, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1852,1853,
 &end
#
#   37 TRP  HB-          37 TRP  HA          5.00    (#     89:20  Unique         2.25, 2.43 A)
 &rst
  ixpk= 89, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 604, 605,
 &end
#
#    0 AMB  20-2:90      37 TRP  HA          4.00    (#     90:20  Single Ambig)
 &rst
  ixpk= 90, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1773,1774,1754,
 &end
#
#  111 VAL  MGY          37 TRP  HA          5.00    (#     91:20  Unique         1.97, 3.91 A)
 &rst
  ixpk= 91, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#    0 AMB  20-2:93     126 PHE  HA          5.00    (#     93:20  Single Ambig)
 &rst
  ixpk= 93, nxpk= 20, iat=  -1,2002, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1838,1839,1840,1842,1843,1844,1949,1950,1951,1953,
      1954,1955,
 &end
#
#    0 AMB  20-2:94     126 PHE  HA          5.00    (#     94:20  Single Ambig)
 &rst
  ixpk= 94, nxpk= 20, iat=  -1,2002, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,2144,2145,2146,2148,
      2149,2150,
 &end
#
#  115 TYR  HA          126 PHE  HA          4.00    (#     95:20  Unique         1.96, 2.12 A)
 &rst
  ixpk= 95, nxpk= 20, iat=1813,2002, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  126 PHE  HB+         126 PHE  HA          4.00    (#     96:20  Unique         2.32, 2.65 A)
 &rst
  ixpk= 96, nxpk= 20, iat=  -1,2002, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2004,2005,
 &end
#
#  126 PHE  HB-         126 PHE  HA          4.00    (#     97:20  Unique         2.32, 2.65 A)
 &rst
  ixpk= 97, nxpk= 20, iat=  -1,2002, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2004,2005,
 &end
#
#   97 ASP  HB+          97 ASP  HA          5.00    (#     99:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 99, nxpk= 20, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1552,1553,
 &end
#
#   33 LEU  HB+          33 LEU  HA          5.00    (#    100:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 100, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 529, 530,
 &end
#
#   33 LEU  HG           33 LEU  HA          5.00    (#    101:20  Unique         2.51, 3.31 A)
 &rst
  ixpk= 101, nxpk= 20, iat= 532, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 LEU  HB-          33 LEU  HA          4.00    (#    102:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 102, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 529, 530,
 &end
#
#   33 LEU  MDY          33 LEU  HA          3.00    (#    103:20  Unique         2.11, 3.86 A)
 &rst
  ixpk= 103, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#    0 AMB  20-2:104     33 LEU  HA          4.00    (#    104:20  Single Ambig)
 &rst
  ixpk= 104, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 557, 558, 559,1838,1839,1840,1842,1843,1844,1838,
      1839,1840,1842,1843,1844,
 &end
#
#  116 VAL  HA           33 LEU  HA          4.00    (#    105:20  Unique         2.45, 2.62 A)
 &rst
  ixpk= 105, nxpk= 20, iat=1834, 527, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  114 TYR  HA           35 HIS  HA          4.00    (#    106:20  Unique         1.86, 1.94 A)
 &rst
  ixpk= 106, nxpk= 20, iat=1792, 565, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 HIS  HB+          35 HIS  HA          4.00    (#    107:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 107, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 567, 568,
 &end
#
#   35 HIS  HB-          35 HIS  HA          4.00    (#    108:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 567, 568,
 &end
#
#  117 PHE  HE           32 THR  HB          6.00    (#    109:20  Unique         5.66, 6.53 A)
 &rst
  ixpk= 109, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1858,1862,
 &end
#
#   32 THR  HG1          32 THR  HB          4.00    (#    110:20  Unique         2.21, 2.25 A)
 &rst
  ixpk= 110, nxpk= 20, iat= 521, 515, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 THR  HN           32 THR  HB          5.00    (#    111:20  Unique         2.18, 2.31 A)
 &rst
  ixpk= 111, nxpk= 20, iat= 511, 515, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 PHE  HN           32 THR  HB          5.00    (#    112:20  Unique         3.95, 4.26 A)
 &rst
  ixpk= 112, nxpk= 20, iat=1848, 515, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 GLY  HN           11 THR  HB          5.00    (#    113:20  Unique         3.77, 4.21 A)
 &rst
  ixpk= 113, nxpk= 20, iat= 196, 186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 THR  HN           11 THR  HB          5.00    (#    114:20  Unique         3.21, 3.35 A)
 &rst
  ixpk= 114, nxpk= 20, iat= 182, 186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 THR  HA           11 THR  HB          4.00    (#    115:20  Unique         2.37, 2.44 A)
 &rst
  ixpk= 115, nxpk= 20, iat= 184, 186, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  147 THR  HN          147 THR  HB          4.00    (#    117:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 117, nxpk= 20, iat=2329,2333, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 THR  HN           91 THR  HB          5.00    (#    118:20  Unique         3.51, 3.62 A)
 &rst
  ixpk= 118, nxpk= 20, iat=1448,1452, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   85 ALA  HN           84 THR  HB          5.00    (#    119:20  Unique         2.29, 2.83 A)
 &rst
  ixpk= 119, nxpk= 20, iat=1365,1355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 THR  HN           84 THR  HB          5.00    (#    120:20  Unique         1.97, 2.14 A)
 &rst
  ixpk= 120, nxpk= 20, iat=1351,1355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 THR  HN           84 THR  HA          5.00    (#    124:20  Unique         2.71, 2.76 A)
 &rst
  ixpk= 124, nxpk= 20, iat=1351,1353, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 GLU  HN           84 THR  HA          5.00    (#    125:20  Unique         3.32, 3.56 A)
 &rst
  ixpk= 125, nxpk= 20, iat=1385,1353, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  140 VAL  HN          140 VAL  HA          4.00    (#    126:20  Unique         2.77, 2.84 A)
 &rst
  ixpk= 126, nxpk= 20, iat=2215,2217, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  141 ASN  HN          140 VAL  HA          5.00    (#    127:20  Unique         3.51, 3.59 A)
 &rst
  ixpk= 127, nxpk= 20, iat=2231,2217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   85 ALA  HN           84 THR  HA          6.00    (#    128:20  Unique         3.57, 3.60 A)
 &rst
  ixpk= 128, nxpk= 20, iat=1365,1353, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  143 VAL  HN          140 VAL  HA          4.00    (#    129:20  Unique         3.14, 3.27 A)
 &rst
  ixpk= 129, nxpk= 20, iat=2269,2217, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   52 ASN  HN           51 VAL  HA          5.00    (#    130:20  Unique         3.57, 3.59 A)
 &rst
  ixpk= 130, nxpk= 20, iat= 834, 820, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 SER  HN           38 SER  HB+         5.00    (#    131:20  Unique         1.91, 3.21 A)
 &rst
  ixpk= 131, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 628, 629,
 &end
#
#    0 AMB  20-2:132     51 VAL  HA          4.00    (#    132:20  Single Ambig)
 &rst
  ixpk= 132, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 818, 863,
 &end
#
#   52 ASN  HN           49 PRO  HA          5.00    (#    134:20  Unique         3.15, 3.27 A)
 &rst
  ixpk= 134, nxpk= 20, iat= 834, 797, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:135     49 PRO  HA          5.00    (#    135:20  Single Ambig)
 &rst
  ixpk= 135, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 848, 818,
 &end
#
#   50 GLN  HN           49 PRO  HA          5.00    (#    136:20  Unique         3.44, 3.47 A)
 &rst
  ixpk= 136, nxpk= 20, iat= 801, 797, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 ASN  HD2+         49 PRO  HA          5.00    (#    137:20  Unique         1.88, 2.82 A)
 &rst
  ixpk= 137, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 843, 844,
 &end
#
#   81 ILE  HN           81 ILE  HA          5.00    (#    138:20  Unique         2.66, 2.70 A)
 &rst
  ixpk= 138, nxpk= 20, iat=1295,1297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  144 LEU  HN          143 VAL  HA          5.00    (#    139:20  Unique         3.45, 3.53 A)
 &rst
  ixpk= 139, nxpk= 20, iat=2285,2271, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  143 VAL  HN          143 VAL  HA          4.00    (#    140:20  Unique         2.76, 2.83 A)
 &rst
  ixpk= 140, nxpk= 20, iat=2269,2271, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   82 LYS  HN           81 ILE  HA          5.00    (#    141:20  Unique         3.56, 3.61 A)
 &rst
  ixpk= 141, nxpk= 20, iat=1314,1297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 ILE  HN           39 ILE  HA          5.00    (#    142:20  Unique         2.75, 2.83 A)
 &rst
  ixpk= 142, nxpk= 20, iat= 635, 637, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:143     39 ILE  HA          5.00    (#    143:20  Single Ambig)
 &rst
  ixpk= 143, nxpk= 20, iat=  -1, 637, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 654, 665,
 &end
#
#   37 TRP  HZ3          39 ILE  HA          5.00    (#    144:20  Unique         4.16, 4.59 A)
 &rst
  ixpk= 144, nxpk= 20, iat= 617, 637, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 HIS  HD2          39 ILE  HA          6.00    (#    145:20  Unique         4.66, 5.42 A)
 &rst
  ixpk= 145, nxpk= 20, iat=1413, 637, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   79 GLY  HN           78 PRO  HA          5.00    (#    147:20  Unique         3.27, 3.32 A)
 &rst
  ixpk= 147, nxpk= 20, iat=1266,1262, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 LYS  HN           78 PRO  HA          5.00    (#    148:20  Unique         3.76, 3.96 A)
 &rst
  ixpk= 148, nxpk= 20, iat=1314,1262, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 ILE  HN           78 PRO  HA          4.00    (#    149:20  Unique         3.01, 3.41 A)
 &rst
  ixpk= 149, nxpk= 20, iat=1295,1262, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 ASP  HN           96 VAL  HA          5.00    (#    150:20  Unique         2.19, 2.68 A)
 &rst
  ixpk= 150, nxpk= 20, iat=1548,1534, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 CYS  HN           44 CYS  HA          5.00    (#    152:20  Unique         2.71, 2.79 A)
 &rst
  ixpk= 152, nxpk= 20, iat= 712, 714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:153     44 CYS  HA          5.00    (#    153:20  Single Ambig)
 &rst
  ixpk= 153, nxpk= 20, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 723,1780,
 &end
#
#    0 AMB  20-2:154     44 CYS  HA          5.00    (#    154:20  Single Ambig)
 &rst
  ixpk= 154, nxpk= 20, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 760, 770,
 &end
#
#   71 ARG  HN           70 PRO  HA          4.00    (#    158:20  Unique         2.45, 2.55 A)
 &rst
  ixpk= 158, nxpk= 20, iat=1147,1143, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 SER  HN           70 PRO  HA          5.00    (#    159:20  Unique         2.84, 3.13 A)
 &rst
  ixpk= 159, nxpk= 20, iat=1171,1143, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 THR  HN           31 PRO  HA          4.00    (#    160:20  Unique         2.26, 2.34 A)
 &rst
  ixpk= 160, nxpk= 20, iat= 511, 507, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  148 GLU  HN          147 THR  HA          3.00    (#    166:20  Unique         2.41, 2.86 A)
 &rst
  ixpk= 166, nxpk= 20, iat=2343,2331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 GLN  HN           91 THR  HA          5.00    (#    168:20  Unique         3.47, 3.55 A)
 &rst
  ixpk= 168, nxpk= 20, iat=1462,1450, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ASN  HD2+         91 THR  HA          4.00    (#    169:20  Unique         1.86, 2.63 A)
 &rst
  ixpk= 169, nxpk= 20, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 302, 303,
 &end
#
#   18 ASN  HD2-         91 THR  HA          4.00    (#    170:20  Unique         1.86, 2.63 A)
 &rst
  ixpk= 170, nxpk= 20, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 302, 303,
 &end
#
#   91 THR  HN           91 THR  HA          4.00    (#    171:20  Unique         2.85, 2.91 A)
 &rst
  ixpk= 171, nxpk= 20, iat=1448,1450, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  121 GLY  HN          120 THR  HA          5.00    (#    172:20  Unique         3.20, 3.31 A)
 &rst
  ixpk= 172, nxpk= 20, iat=1916,1904, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  120 THR  HN          120 THR  HA          4.00    (#    173:20  Unique         2.86, 2.90 A)
 &rst
  ixpk= 173, nxpk= 20, iat=1902,1904, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   66 ALA  HN           65 VAL  HA          3.00    (#    174:20  Unique         2.18, 2.21 A)
 &rst
  ixpk= 174, nxpk= 20, iat=1073,1059, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   90 ILE  HN           90 ILE  HA          5.00    (#    179:20  Unique         2.34, 2.56 A)
 &rst
  ixpk= 179, nxpk= 20, iat=1429,1431, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 THR  HN           90 ILE  HA          4.00    (#    180:20  Unique         2.18, 2.23 A)
 &rst
  ixpk= 180, nxpk= 20, iat=1448,1431, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   92 GLN  HN           90 ILE  HA          5.00    (#    183:20  Unique         3.28, 3.53 A)
 &rst
  ixpk= 183, nxpk= 20, iat=1462,1431, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:184     90 ILE  HA          5.00    (#    184:20  Single Ambig)
 &rst
  ixpk= 184, nxpk= 20, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 302, 303, 818, 848,
 &end
#
#   28 GLY  HN           27 ILE  HA          3.00    (#    185:20  Unique         2.34, 2.52 A)
 &rst
  ixpk= 185, nxpk= 20, iat= 453, 436, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   27 ILE  HN           27 ILE  HA          4.00    (#    186:20  Unique         2.92, 2.94 A)
 &rst
  ixpk= 186, nxpk= 20, iat= 434, 436, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   45 LYS  HN           45 LYS  HA          4.00    (#    187:20  Unique         2.79, 2.82 A)
 &rst
  ixpk= 187, nxpk= 20, iat= 723, 725, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   46 GLU  HN           45 LYS  HA          5.00    (#    188:20  Unique         3.49, 3.55 A)
 &rst
  ixpk= 188, nxpk= 20, iat= 745, 725, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PHE  HN           54 PHE  HA          4.00    (#    189:20  Unique         2.73, 2.76 A)
 &rst
  ixpk= 189, nxpk= 20, iat= 863, 865, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   57 LYS  HN           54 PHE  HA          5.00    (#    190:20  Unique         3.13, 3.42 A)
 &rst
  ixpk= 190, nxpk= 20, iat= 919, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PHE  HE           54 PHE  HA          6.00    (#    192:20  Unique         4.80, 5.75 A)
 &rst
  ixpk= 192, nxpk= 20, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 873, 877,
 &end
#
#   85 ALA  HN           82 LYS  HA          5.00    (#    193:20  Unique         3.68, 3.90 A)
 &rst
  ixpk= 193, nxpk= 20, iat=1365,1316, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 LYS  HN           82 LYS  HA          4.00    (#    194:20  Unique         2.68, 2.74 A)
 &rst
  ixpk= 194, nxpk= 20, iat=1314,1316, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   23 ARG  HN           23 ARG  HA          4.00    (#    195:20  Unique         2.61, 2.65 A)
 &rst
  ixpk= 195, nxpk= 20, iat= 359, 361, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   26 LEU  HN           23 ARG  HA          4.00    (#    196:20  Unique         2.98, 3.16 A)
 &rst
  ixpk= 196, nxpk= 20, iat= 415, 361, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  140 VAL  HN          137 GLU  HA          5.00    (#    197:20  Unique         3.43, 3.82 A)
 &rst
  ixpk= 197, nxpk= 20, iat=2215,2156, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  138 LYS  HN          137 GLU  HA          5.00    (#    198:20  Unique         3.50, 3.55 A)
 &rst
  ixpk= 198, nxpk= 20, iat=2169,2156, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PHE  HD          137 GLU  HA          5.00    (#    199:20  Unique         2.04, 4.19 A)
 &rst
  ixpk= 199, nxpk= 20, iat=  -1,2156, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 871, 879,
 &end
#
#   54 PHE  HE          137 GLU  HA          4.00    (#    200:20  Unique         1.87, 4.23 A)
 &rst
  ixpk= 200, nxpk= 20, iat=  -1,2156, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 873, 877,
 &end
#
#  137 GLU  HN          137 GLU  HA          4.00    (#    201:20  Unique         2.62, 2.65 A)
 &rst
  ixpk= 201, nxpk= 20, iat=2154,2156, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 GLU  HN           24 GLU  HA          4.00    (#    202:20  Unique         2.66, 2.74 A)
 &rst
  ixpk= 202, nxpk= 20, iat= 383, 385, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 GLN  HN           24 GLU  HA          5.00    (#    203:20  Unique         3.60, 3.63 A)
 &rst
  ixpk= 203, nxpk= 20, iat= 398, 385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 ILE  HN           24 GLU  HA          5.00    (#    204:20  Unique         3.56, 3.73 A)
 &rst
  ixpk= 204, nxpk= 20, iat= 434, 385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  141 ASN  HN          137 GLU  HA          5.00    (#    205:20  Unique         4.46, 4.72 A)
 &rst
  ixpk= 205, nxpk= 20, iat=2231,2156, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  138 LYS  HN          138 LYS  HA          4.00    (#    206:20  Unique         2.80, 2.89 A)
 &rst
  ixpk= 206, nxpk= 20, iat=2169,2171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  141 ASN  HD2+        138 LYS  HA          5.00    (#    207:20  Unique         1.88, 3.32 A)
 &rst
  ixpk= 207, nxpk= 20, iat=  -1,2171, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2240,2241,
 &end
#
#  141 ASN  HN          138 LYS  HA          4.00    (#    209:20  Unique         2.86, 3.12 A)
 &rst
  ixpk= 209, nxpk= 20, iat=2231,2171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 GLU  HN           83 GLU  HA          3.00    (#    211:20  Unique         2.73, 2.79 A)
 &rst
  ixpk= 211, nxpk= 20, iat=1336,1338, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 THR  HN           83 GLU  HA          4.00    (#    212:20  Unique         3.55, 3.62 A)
 &rst
  ixpk= 212, nxpk= 20, iat=1351,1338, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 ALA  HN           83 GLU  HA          4.00    (#    213:20  Unique         2.91, 3.25 A)
 &rst
  ixpk= 213, nxpk= 20, iat=1375,1338, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   57 LYS  HN           53 GLU  HA          5.00    (#    214:20  Unique         4.18, 4.32 A)
 &rst
  ixpk= 214, nxpk= 20, iat= 919, 850, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 THR  HN           21 VAL  HA          3.00    (#    215:20  Unique         2.24, 2.39 A)
 &rst
  ixpk= 215, nxpk= 20, iat= 345, 331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:216      0 AMB  20-1:216    3.00    (#    216:20  Double Ambig)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 848,2304,
 igr2= 850,2247,
 &end
#
#    0 AMB  20-2:217      0 AMB  20-1:217    3.00    (#    217:20  Double Ambig)
 &rst
  ixpk= 217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 979, 693,
 igr2= 964, 678,
 &end
#
#    0 AMB  20-2:218      0 AMB  20-1:218    4.00    (#    218:20  Double Ambig)
 &rst
  ixpk= 218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 991, 745,
 igr2= 964, 678,
 &end
#
#   58 TYR  HN           59 GLN  HA          5.00    (#    219:20  Unique         4.06, 4.19 A)
 &rst
  ixpk= 219, nxpk= 20, iat= 941, 964, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 GLN  HN           59 GLN  HA          3.00    (#    220:20  Unique         2.30, 2.72 A)
 &rst
  ixpk= 220, nxpk= 20, iat= 962, 964, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 LEU  HN           59 GLN  HA          4.00    (#    222:20  Unique         3.41, 3.75 A)
 &rst
  ixpk= 222, nxpk= 20, iat=1008, 964, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GLN  HN           57 LYS  HA          5.00    (#    223:20  Unique         3.93, 4.53 A)
 &rst
  ixpk= 223, nxpk= 20, iat= 962, 921, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 LYS  HN           57 LYS  HA          3.00    (#    224:20  Unique         2.75, 2.80 A)
 &rst
  ixpk= 224, nxpk= 20, iat= 919, 921, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   58 TYR  HN           57 LYS  HA          4.00    (#    225:20  Unique         3.58, 3.63 A)
 &rst
  ixpk= 225, nxpk= 20, iat= 941, 921, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   46 GLU  HN           46 GLU  HA          3.00    (#    226:20  Unique         2.65, 2.80 A)
 &rst
  ixpk= 226, nxpk= 20, iat= 745, 747, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   56 ASP  HN           57 LYS  HA          5.00    (#    227:20  Unique         4.98, 5.11 A)
 &rst
  ixpk= 227, nxpk= 20, iat= 907, 921, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:230      0 AMB  20-1:230    3.00    (#    230:20  Double Ambig)
 &rst
  ixpk= 230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 801, 813, 814, 760, 770,
 igr2= 803, 747,
 &end
#
#  106 PHE  HN          106 PHE  HA          4.00    (#    232:20  Unique         2.84, 2.91 A)
 &rst
  ixpk= 232, nxpk= 20, iat=1665,1667, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:233      0 AMB  20-1:233    3.00    (#    233:20  Double Ambig)
 &rst
  ixpk= 233, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1385,1685,
 igr2=1387,1667,
 &end
#
#   88 HIS  HN           87 GLU  HA          4.00    (#    235:20  Unique         3.10, 3.46 A)
 &rst
  ixpk= 235, nxpk= 20, iat=1400,1387, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  106 PHE  HD          106 PHE  HA          5.00    (#    236:20  Unique         2.05, 3.52 A)
 &rst
  ixpk= 236, nxpk= 20, iat=  -1,1667, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1673,1681,
 &end
#
#   55 ARG  HN           55 ARG  HA          4.00    (#    237:20  Unique         2.70, 2.74 A)
 &rst
  ixpk= 237, nxpk= 20, iat= 883, 885, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 ASP  HN           55 ARG  HA          5.00    (#    238:20  Unique         3.64, 3.65 A)
 &rst
  ixpk= 238, nxpk= 20, iat= 907, 885, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:239     55 ARG  HA          5.00    (#    239:20  Single Ambig)
 &rst
  ixpk= 239, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 974, 975, 941,
 &end
#
#  119 LYS  HN          119 LYS  HA          4.00    (#    241:20  Unique         2.76, 2.79 A)
 &rst
  ixpk= 241, nxpk= 20, iat=1880,1882, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 GLY  HN          119 LYS  HA          5.00    (#    242:20  Unique         4.03, 4.29 A)
 &rst
  ixpk= 242, nxpk= 20, iat= 453,1882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  121 GLY  HN          119 LYS  HA          5.00    (#    243:20  Unique         3.26, 3.49 A)
 &rst
  ixpk= 243, nxpk= 20, iat=1916,1882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   80 LYS  HN           80 LYS  HA          3.00    (#    244:20  Unique         2.86, 2.87 A)
 &rst
  ixpk= 244, nxpk= 20, iat=1273,1275, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  113 ALA  HN          111 VAL  HA          4.00    (#    246:20  Unique         2.48, 2.94 A)
 &rst
  ixpk= 246, nxpk= 20, iat=1780,1752, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 THR  HN           80 LYS  HA          5.00    (#    247:20  Unique         3.35, 3.52 A)
 &rst
  ixpk= 247, nxpk= 20, iat=1351,1275, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 GLU  HN           80 LYS  HA          4.00    (#    248:20  Unique         3.08, 3.39 A)
 &rst
  ixpk= 248, nxpk= 20, iat=1336,1275, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  136 LEU  HN          136 LEU  HA          4.00    (#    249:20  Unique         2.70, 2.80 A)
 &rst
  ixpk= 249, nxpk= 20, iat=2135,2137, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    4 ARG  HN            4 ARG  HA          4.00    (#    251:20  Unique         2.16, 2.23 A)
 &rst
  ixpk= 251, nxpk= 20, iat=  62,  64, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    5 GLN  HN            4 ARG  HA          5.00    (#    252:20  Unique         2.89, 3.03 A)
 &rst
  ixpk= 252, nxpk= 20, iat=  86,  64, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  139 ARG  HN          136 LEU  HA          5.00    (#    253:20  Unique         2.62, 2.85 A)
 &rst
  ixpk= 253, nxpk= 20, iat=2191,2137, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  137 GLU  HN          136 LEU  HA          5.00    (#    254:20  Unique         3.52, 3.62 A)
 &rst
  ixpk= 254, nxpk= 20, iat=2154,2137, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  123 LEU  HN            4 ARG  HA          6.00    (#    255:20  Unique         3.29, 3.97 A)
 &rst
  ixpk= 255, nxpk= 20, iat=1940,  64, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:257      0 AMB  20-1:257    4.00    (#    257:20  Double Ambig)
 &rst
  ixpk= 257, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2135, 760,
 igr2=2120, 695,
 &end
#
#   44 CYS  HN           43 LEU  HA          6.00    (#    258:20  Unique         3.44, 3.52 A)
 &rst
  ixpk= 258, nxpk= 20, iat= 712, 695, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   43 LEU  HN           43 LEU  HA          5.00    (#    259:20  Unique         2.70, 2.73 A)
 &rst
  ixpk= 259, nxpk= 20, iat= 693, 695, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LYS  HN           29 GLU  HA          5.00    (#    260:20  Unique         3.36, 3.55 A)
 &rst
  ixpk= 260, nxpk= 20, iat= 475, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 GLU  HN           29 GLU  HA          4.00    (#    261:20  Unique         2.21, 2.71 A)
 &rst
  ixpk= 261, nxpk= 20, iat= 460, 462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 MET  HN           48 MET  HA          4.00    (#    262:20  Unique         2.65, 2.70 A)
 &rst
  ixpk= 262, nxpk= 20, iat= 770, 772, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  103 THR  HN          100 HIS  HA          5.00    (#    263:20  Unique         3.01, 3.71 A)
 &rst
  ixpk= 263, nxpk= 20, iat=1629,1585, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 ASN  HN           48 MET  HA          5.00    (#    266:20  Unique         4.33, 4.45 A)
 &rst
  ixpk= 266, nxpk= 20, iat= 834, 772, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 VAL  HN           48 MET  HA          5.00    (#    267:20  Unique         3.56, 3.65 A)
 &rst
  ixpk= 267, nxpk= 20, iat= 818, 772, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   99 ASP  HN          100 HIS  HA          5.00    (#    268:20  Unique         3.67, 4.24 A)
 &rst
  ixpk= 268, nxpk= 20, iat=1571,1585, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  144 LEU  HN          144 LEU  HA          4.00    (#    269:20  Unique         2.79, 2.83 A)
 &rst
  ixpk= 269, nxpk= 20, iat=2285,2287, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:270    144 LEU  HA          4.00    (#    270:20  Single Ambig)
 &rst
  ixpk= 270, nxpk= 20, iat=  -1,2287, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2314,2304,
 &end
#
#  102 LEU  HN          102 LEU  HA          5.00    (#    271:20  Unique         2.76, 2.80 A)
 &rst
  ixpk= 271, nxpk= 20, iat=1610,1612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:272      0 AMB  20-1:272    4.00    (#    272:20  Double Ambig)
 &rst
  ixpk= 272, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2329, 148,2343,
 igr2=2316,1612,
 &end
#
#   26 LEU  HN           25 GLN  HA          4.00    (#    273:20  Unique         3.50, 3.51 A)
 &rst
  ixpk= 273, nxpk= 20, iat= 415, 400, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 GLN  HN           25 GLN  HA          3.00    (#    274:20  Unique         2.83, 2.84 A)
 &rst
  ixpk= 274, nxpk= 20, iat= 398, 400, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   27 ILE  HN           25 GLN  HA          5.00    (#    275:20  Unique         3.63, 3.99 A)
 &rst
  ixpk= 275, nxpk= 20, iat= 434, 400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 LEU  HN            9 GLU  HA          4.00    (#    276:20  Unique         2.20, 2.50 A)
 &rst
  ixpk= 276, nxpk= 20, iat= 163, 150, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  139 ARG  HN          139 ARG  HA          4.00    (#    277:20  Unique         2.63, 2.71 A)
 &rst
  ixpk= 277, nxpk= 20, iat=2191,2193, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  142 ARG  HN          139 ARG  HA          5.00    (#    278:20  Unique         3.17, 3.45 A)
 &rst
  ixpk= 278, nxpk= 20, iat=2245,2193, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:279    104 ASP  HA          4.00    (#    279:20  Single Ambig)
 &rst
  ixpk= 279, nxpk= 20, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1655,1685,
 &end
#
#  146 GLU  HN          146 GLU  HA          3.00    (#    280:20  Unique         2.84, 2.89 A)
 &rst
  ixpk= 280, nxpk= 20, iat=2314,2316, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 GLU  HN          109 GLU  HA          5.00    (#    281:20  Unique         2.74, 2.80 A)
 &rst
  ixpk= 281, nxpk= 20, iat=1714,1716, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  110 TYR  HN          109 GLU  HA          4.00    (#    282:20  Unique         2.79, 2.96 A)
 &rst
  ixpk= 282, nxpk= 20, iat=1729,1716, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    4 ARG  HN            3 LEU  HA          4.00    (#    283:20  Unique         2.23, 2.49 A)
 &rst
  ixpk= 283, nxpk= 20, iat=  62,  45, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   57 LYS  HN           56 ASP  HA          5.00    (#    284:20  Unique         3.44, 3.48 A)
 &rst
  ixpk= 284, nxpk= 20, iat= 919, 909, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 TYR  HN           56 ASP  HA          5.00    (#    285:20  Unique         4.34, 4.75 A)
 &rst
  ixpk= 285, nxpk= 20, iat= 941, 909, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:286     40 SER  HA          4.00    (#    286:20  Single Ambig)
 &rst
  ixpk= 286, nxpk= 20, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 665, 654,
 &end
#
#   59 GLN  HN           56 ASP  HA          4.00    (#    287:20  Unique         3.25, 3.48 A)
 &rst
  ixpk= 287, nxpk= 20, iat= 962, 909, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3 LEU  HN            3 LEU  HA          5.00    (#    288:20  Unique         2.21, 2.43 A)
 &rst
  ixpk= 288, nxpk= 20, iat=  43,  45, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 MET  HN           68 HIS  HA          4.00    (#    291:20  Unique         2.19, 2.19 A)
 &rst
  ixpk= 291, nxpk= 20, iat=1116,1101, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    5 GLN  HN            3 LEU  HA          5.00    (#    292:20  Unique         2.95, 3.25 A)
 &rst
  ixpk= 292, nxpk= 20, iat=  86,  45, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  123 LEU  HN          123 LEU  HA          5.00    (#    293:20  Unique         2.71, 2.76 A)
 &rst
  ixpk= 293, nxpk= 20, iat=1940,1942, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  125 HIS  HN          123 LEU  HA          5.00    (#    295:20  Unique         3.60, 3.88 A)
 &rst
  ixpk= 295, nxpk= 20, iat=1983,1942, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 PHE  HN          107 GLU  HA          5.00    (#    299:20  Unique         4.01, 4.25 A)
 &rst
  ixpk= 299, nxpk= 20, iat=1665,1687, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  107 GLU  HN          107 GLU  HA          3.00    (#    300:20  Unique         2.17, 2.19 A)
 &rst
  ixpk= 300, nxpk= 20, iat=1685,1687, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  124 ARG  HN          123 LEU  HA          4.00    (#    301:20  Unique         2.18, 2.21 A)
 &rst
  ixpk= 301, nxpk= 20, iat=1959,1942, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  117 PHE  HA          123 LEU  HA          4.00    (#    302:20  Unique         2.28, 2.53 A)
 &rst
  ixpk= 302, nxpk= 20, iat=1850,1942, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   61 GLN  HN           61 GLN  HA          3.00    (#    304:20  Unique         2.86, 2.91 A)
 &rst
  ixpk= 304, nxpk= 20, iat= 991, 993, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 GLN  HE2-         61 GLN  HA          5.00    (#    305:20  Unique         3.87, 5.13 A)
 &rst
  ixpk= 305, nxpk= 20, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1003,1004,
 &end
#
#  141 ASN  HN          141 ASN  HA          3.00    (#    306:20  Unique         2.73, 2.78 A)
 &rst
  ixpk= 306, nxpk= 20, iat=2231,2233, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   40 SER  HN           38 SER  HA          4.00    (#    308:20  Unique         3.42, 3.64 A)
 &rst
  ixpk= 308, nxpk= 20, iat= 654, 626, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  144 LEU  HN          141 ASN  HA          4.00    (#    309:20  Unique         3.17, 3.38 A)
 &rst
  ixpk= 309, nxpk= 20, iat=2285,2233, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  141 ASN  HD2-        141 ASN  HA          6.00    (#    310:20  Unique         1.99, 4.23 A)
 &rst
  ixpk= 310, nxpk= 20, iat=  -1,2233, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2240,2241,
 &end
#
#    5 GLN  HE2+        123 LEU  HA          6.00    (#    311:20  Unique         5.05, 6.62 A)
 &rst
  ixpk= 311, nxpk= 20, iat=  -1,1942, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  98,  99,
 &end
#
#   39 ILE  HN           38 SER  HA          4.00    (#    313:20  Unique         2.22, 2.35 A)
 &rst
  ixpk= 313, nxpk= 20, iat= 635, 626, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:315      0 AMB  20-1:315    4.00    (#    315:20  Double Ambig)
 &rst
  ixpk= 315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1417,1008,
 igr2=1402, 993,
 &end
#
#   71 ARG  HN           71 ARG  HA          4.00    (#    317:20  Unique         2.75, 2.83 A)
 &rst
  ixpk= 317, nxpk= 20, iat=1147,1149, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 SER  HN           71 ARG  HA          5.00    (#    318:20  Unique         3.28, 3.45 A)
 &rst
  ixpk= 318, nxpk= 20, iat=1171,1149, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   96 VAL  HN           95 PHE  HA          4.00    (#    319:20  Unique         2.19, 2.24 A)
 &rst
  ixpk= 319, nxpk= 20, iat=1532,1514, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 HIS  HN           88 HIS  HA          3.00    (#    320:20  Unique         2.80, 2.86 A)
 &rst
  ixpk= 320, nxpk= 20, iat=1400,1402, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   76 LEU  HN           74 ASP  HA          5.00    (#    322:20  Unique         3.68, 4.19 A)
 &rst
  ixpk= 322, nxpk= 20, iat=1221,1199, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 ASP  HN           74 ASP  HA          4.00    (#    323:20  Unique         2.64, 2.79 A)
 &rst
  ixpk= 323, nxpk= 20, iat=1197,1199, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 ASP  HN           74 ASP  HA          4.00    (#    324:20  Unique         3.58, 3.62 A)
 &rst
  ixpk= 324, nxpk= 20, iat=1209,1199, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  104 ASP  HN          101 ALA  HA          4.00    (#    325:20  Unique         3.31, 3.69 A)
 &rst
  ixpk= 325, nxpk= 20, iat=1643,1602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 ALA  HN           85 ALA  HA          5.00    (#    326:20  Unique         2.73, 2.84 A)
 &rst
  ixpk= 326, nxpk= 20, iat=1365,1367, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   86 ALA  HN           85 ALA  HA          5.00    (#    327:20  Unique         3.47, 3.57 A)
 &rst
  ixpk= 327, nxpk= 20, iat=1375,1367, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 HIS  HN           85 ALA  HA          5.00    (#    328:20  Unique         2.71, 3.05 A)
 &rst
  ixpk= 328, nxpk= 20, iat=1400,1367, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 LEU  HN          101 ALA  HA          5.00    (#    329:20  Unique         3.49, 3.57 A)
 &rst
  ixpk= 329, nxpk= 20, iat=1610,1602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    2 LYS  HN            1 MET  HA          3.00    (#    330:20  Unique         2.20, 2.46 A)
 &rst
  ixpk= 330, nxpk= 20, iat=  21,   6, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   90 ILE  HN           85 ALA  HA          5.00    (#    331:20  Unique         3.66, 4.36 A)
 &rst
  ixpk= 331, nxpk= 20, iat=1429,1367, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 ASP  HN           89 ASP  HA          3.00    (#    333:20  Unique         2.22, 2.24 A)
 &rst
  ixpk= 333, nxpk= 20, iat=1417,1419, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   14 LYS  HN           14 LYS  HA          4.00    (#    336:20  Unique         2.21, 2.74 A)
 &rst
  ixpk= 336, nxpk= 20, iat= 218, 220, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:337     14 LYS  HA          5.00    (#    337:20  Single Ambig)
 &rst
  ixpk= 337, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 240,1560,
 &end
#
#   90 ILE  HN           89 ASP  HA          4.00    (#    338:20  Unique         3.02, 3.49 A)
 &rst
  ixpk= 338, nxpk= 20, iat=1429,1419, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   63 ASN  HD2+         26 LEU  HA          4.00    (#    339:20  Unique         4.04, 4.47 A)
 &rst
  ixpk= 339, nxpk= 20, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1036,1037,
 &end
#
#   27 ILE  HN           26 LEU  HA          4.00    (#    340:20  Unique         3.52, 3.56 A)
 &rst
  ixpk= 340, nxpk= 20, iat= 434, 417, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:342      0 AMB  20-1:342    3.00    (#    342:20  Double Ambig)
 &rst
  ixpk= 342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1655,1729,1685,
 igr2=1657,1702,
 &end
#
#   19 GLY  HN           18 ASN  HA          4.00    (#    344:20  Unique         2.82, 3.41 A)
 &rst
  ixpk= 344, nxpk= 20, iat= 307, 295, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ASN  HD2+         18 ASN  HA          4.00    (#    345:20  Unique         2.98, 4.04 A)
 &rst
  ixpk= 345, nxpk= 20, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 302, 303,
 &end
#
#  109 GLU  HN          108 ASN  HA          4.00    (#    346:20  Unique         2.26, 2.33 A)
 &rst
  ixpk= 346, nxpk= 20, iat=1714,1702, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ASN  HN           18 ASN  HA          3.00    (#    347:20  Unique         2.17, 2.20 A)
 &rst
  ixpk= 347, nxpk= 20, iat= 293, 295, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   52 ASN  HN           52 ASN  HA          4.00    (#    349:20  Unique         2.76, 2.79 A)
 &rst
  ixpk= 349, nxpk= 20, iat= 834, 836, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 GLU  HN           20 GLU  HA          4.00    (#    350:20  Unique         2.18, 2.67 A)
 &rst
  ixpk= 350, nxpk= 20, iat= 314, 316, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    2 LYS  HN            2 LYS  HA          3.00    (#    352:20  Unique         2.82, 2.88 A)
 &rst
  ixpk= 352, nxpk= 20, iat=  21,  23, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    5 GLN  HN            5 GLN  HA          4.00    (#    353:20  Unique         2.78, 2.90 A)
 &rst
  ixpk= 353, nxpk= 20, iat=  86,  88, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3 LEU  HN            2 LYS  HA          3.00    (#    355:20  Unique         2.18, 2.58 A)
 &rst
  ixpk= 355, nxpk= 20, iat=  43,  23, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    7 MET  HN            7 MET  HA          5.00    (#    356:20  Unique         2.18, 2.32 A)
 &rst
  ixpk= 356, nxpk= 20, iat= 117, 119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  128 ALA  HN          127 GLN  HA          3.00    (#    358:20  Unique         2.23, 2.28 A)
 &rst
  ixpk= 358, nxpk= 20, iat=2037,2022, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  127 GLN  HN          127 GLN  HA          4.00    (#    359:20  Unique         2.88, 2.91 A)
 &rst
  ixpk= 359, nxpk= 20, iat=2020,2022, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   10 LEU  HN           10 LEU  HA          4.00    (#    362:20  Unique         2.21, 2.82 A)
 &rst
  ixpk= 362, nxpk= 20, iat= 163, 165, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 THR  HN           10 LEU  HA          4.00    (#    363:20  Unique         2.20, 2.34 A)
 &rst
  ixpk= 363, nxpk= 20, iat= 182, 165, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:364    145 ALA  HA          3.00    (#    364:20  Single Ambig)
 &rst
  ixpk= 364, nxpk= 20, iat=  -1,2306, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2304,2314,
 &end
#
#    0 AMB  20-2:367     47 ALA  HA          3.00    (#    367:20  Single Ambig)
 &rst
  ixpk= 367, nxpk= 20, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 760, 770,
 &end
#
#   15 ALA  HN           15 ALA  HA          4.00    (#    370:20  Unique         2.93, 2.94 A)
 &rst
  ixpk= 370, nxpk= 20, iat= 240, 242, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16 TRP  HN           15 ALA  HA          3.00    (#    371:20  Unique         2.22, 2.32 A)
 &rst
  ixpk= 371, nxpk= 20, iat= 250, 242, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   79 GLY  HN           78 PRO  HD+         5.00    (#    373:20  Unique         2.33, 3.14 A)
 &rst
  ixpk= 373, nxpk= 20, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1253,1254,
 &end
#
#   79 GLY  HN           78 PRO  HD-         5.00    (#    374:20  Unique         2.33, 3.14 A)
 &rst
  ixpk= 374, nxpk= 20, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1253,1254,
 &end
#
#    7 MET  HN            6 PRO  HD+         5.00    (#    375:20  Unique         4.23, 5.33 A)
 &rst
  ixpk= 375, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 104, 105,
 &end
#
#    5 GLN  HN            6 PRO  HD-         6.00    (#    377:20  Unique         2.48, 3.88 A)
 &rst
  ixpk= 377, nxpk= 20, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 104, 105,
 &end
#
#    0 AMB  20-2:378      0 AMB  20-1:378    4.00    (#    378:20  Double Ambig)
 &rst
  ixpk= 378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 801, 770,
 igr2= 788, 789, 788, 789,
 &end
#
#    0 AMB  20-2:379     49 PRO  HD-         4.00    (#    379:20  Single Ambig)
 &rst
  ixpk= 379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 801, 770,
 igr2= 788, 789,
 &end
#
#   35 HIS  HN           66 ALA  HA          4.00    (#    381:20  Unique         2.43, 2.73 A)
 &rst
  ixpk= 381, nxpk= 20, iat= 563,1075, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 VAL  HN           66 ALA  HA          3.00    (#    382:20  Unique         2.22, 2.37 A)
 &rst
  ixpk= 382, nxpk= 20, iat=1083,1075, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:383     66 ALA  HA          5.00    (#    383:20  Single Ambig)
 &rst
  ixpk= 383, nxpk= 20, iat=  -1,1075, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 546, 582,
 &end
#
#   62 LEU  HN           62 LEU  HB-         4.00    (#    384:20  Unique         2.82, 3.44 A)
 &rst
  ixpk= 384, nxpk= 20, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1012,1013,
 &end
#
#   62 LEU  HN           62 LEU  HB+         5.00    (#    385:20  Unique         2.82, 3.44 A)
 &rst
  ixpk= 385, nxpk= 20, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1012,1013,
 &end
#
#   79 GLY  HN           79 GLY  HA-         4.00    (#    386:20  Unique         2.25, 2.56 A)
 &rst
  ixpk= 386, nxpk= 20, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1268,1269,
 &end
#
#   80 LYS  HN           79 GLY  HA-         4.00    (#    387:20  Unique         2.87, 3.29 A)
 &rst
  ixpk= 387, nxpk= 20, iat=1273,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1268,1269,
 &end
#
#   79 GLY  HN           79 GLY  HA+         4.00    (#    388:20  Unique         2.25, 2.56 A)
 &rst
  ixpk= 388, nxpk= 20, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1268,1269,
 &end
#
#   80 LYS  HN           79 GLY  HA+         4.00    (#    389:20  Unique         2.87, 3.29 A)
 &rst
  ixpk= 389, nxpk= 20, iat=1273,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1268,1269,
 &end
#
#  122 GLN  HN          121 GLY  HA+         5.00    (#    392:20  Unique         2.70, 3.28 A)
 &rst
  ixpk= 392, nxpk= 20, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1918,1919,
 &end
#
#  121 GLY  HN          121 GLY  HA-         4.00    (#    393:20  Unique         2.25, 2.57 A)
 &rst
  ixpk= 393, nxpk= 20, iat=1916,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1918,1919,
 &end
#
#  122 GLN  HN          121 GLY  HA-         5.00    (#    394:20  Unique         2.70, 3.28 A)
 &rst
  ixpk= 394, nxpk= 20, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1918,1919,
 &end
#
#   28 GLY  HN           28 GLY  HA+         3.00    (#    395:20  Unique         2.59, 2.79 A)
 &rst
  ixpk= 395, nxpk= 20, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 455, 456,
 &end
#
#  121 GLY  HN          121 GLY  HA+         4.00    (#    396:20  Unique         2.25, 2.57 A)
 &rst
  ixpk= 396, nxpk= 20, iat=1916,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1918,1919,
 &end
#
#   33 LEU  HA           33 LEU  HB+         5.00    (#    401:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 401, nxpk= 20, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 529, 530,
 &end
#
#   33 LEU  HN           33 LEU  HB-         5.00    (#    402:20  Unique         2.53, 3.00 A)
 &rst
  ixpk= 402, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 529, 530,
 &end
#
#   12 GLY  HN           12 GLY  HA-         4.00    (#    403:20  Unique         2.25, 2.67 A)
 &rst
  ixpk= 403, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 198, 199,
 &end
#
#   12 GLY  HN           12 GLY  HA+         4.00    (#    404:20  Unique         2.25, 2.67 A)
 &rst
  ixpk= 404, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 198, 199,
 &end
#
#   33 LEU  HN           33 LEU  HB+         5.00    (#    405:20  Unique         2.53, 3.00 A)
 &rst
  ixpk= 405, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 529, 530,
 &end
#
#   33 LEU  HA           33 LEU  HB-         5.00    (#    406:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 406, nxpk= 20, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 529, 530,
 &end
#
#   19 GLY  HN           19 GLY  HA-         4.00    (#    408:20  Unique         2.36, 2.75 A)
 &rst
  ixpk= 408, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 309, 310,
 &end
#
#   19 GLY  HN           19 GLY  HA+         4.00    (#    409:20  Unique         2.36, 2.75 A)
 &rst
  ixpk= 409, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 309, 310,
 &end
#
#  129 GLY  HN          129 GLY  HA+         4.00    (#    410:20  Unique         2.28, 2.62 A)
 &rst
  ixpk= 410, nxpk= 20, iat=2047,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2049,2050,
 &end
#
#   20 GLU  HN           19 GLY  HA-         4.00    (#    411:20  Unique         2.21, 2.72 A)
 &rst
  ixpk= 411, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 309, 310,
 &end
#
#  129 GLY  HN          129 GLY  HA-         4.00    (#    412:20  Unique         2.28, 2.62 A)
 &rst
  ixpk= 412, nxpk= 20, iat=2047,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2049,2050,
 &end
#
#   20 GLU  HN           19 GLY  HA+         3.00    (#    413:20  Unique         2.21, 2.72 A)
 &rst
  ixpk= 413, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 309, 310,
 &end
#
#    0 AMB  20-2:420      0 AMB  20-1:420    5.00    (#    420:20  Double Ambig)
 &rst
  ixpk= 420, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2245, 415,
 igr2=2255,2256, 369, 370,
 &end
#
#  143 VAL  HN          142 ARG  HD+         5.00    (#    421:20  Unique         3.36, 4.58 A)
 &rst
  ixpk= 421, nxpk= 20, iat=2269,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2255,2256,
 &end
#
#  126 PHE  HN          126 PHE  HB-         4.00    (#    422:20  Unique         2.49, 3.14 A)
 &rst
  ixpk= 422, nxpk= 20, iat=2000,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2004,2005,
 &end
#
#  115 TYR  HE          126 PHE  HB-         5.00    (#    423:20  Unique         3.17, 4.58 A)
 &rst
  ixpk= 423, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1821,1826,
 igr2=2004,2005,
 &end
#
#  125 HIS  HD2         126 PHE  HB-         5.00    (#    424:20  Unique         4.54, 5.11 A)
 &rst
  ixpk= 424, nxpk= 20, iat=1996,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2004,2005,
 &end
#
#  126 PHE  HA          126 PHE  HB-         4.00    (#    425:20  Unique         2.32, 2.65 A)
 &rst
  ixpk= 425, nxpk= 20, iat=2002,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2004,2005,
 &end
#
#    0 AMB  20-2:426    126 PHE  HB-         5.00    (#    426:20  Single Ambig)
 &rst
  ixpk= 426, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2020,  98,  99,
 igr2=2004,2005,
 &end
#
#  126 PHE  HN          126 PHE  HB+         4.00    (#    427:20  Unique         2.49, 3.14 A)
 &rst
  ixpk= 427, nxpk= 20, iat=2000,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2004,2005,
 &end
#
#  115 TYR  HE          126 PHE  HB+         4.00    (#    428:20  Unique         3.17, 4.58 A)
 &rst
  ixpk= 428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1821,1826,
 igr2=2004,2005,
 &end
#
#  125 HIS  HD2         126 PHE  HB+         5.00    (#    429:20  Unique         4.54, 5.11 A)
 &rst
  ixpk= 429, nxpk= 20, iat=1996,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2004,2005,
 &end
#
#  126 PHE  HA          126 PHE  HB+         4.00    (#    430:20  Unique         2.32, 2.65 A)
 &rst
  ixpk= 430, nxpk= 20, iat=2002,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2004,2005,
 &end
#
#  115 TYR  HA          126 PHE  HB-         6.00    (#    431:20  Unique         2.24, 3.38 A)
 &rst
  ixpk= 431, nxpk= 20, iat=1813,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2004,2005,
 &end
#
#    0 AMB  20-2:432      0 AMB  20-1:432    5.00    (#    432:20  Double Ambig)
 &rst
  ixpk= 432, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2020,  98,  99,
 igr2=2004,2005,2004,2005,
 &end
#
#   76 LEU  HN           76 LEU  HB+         4.00    (#    433:20  Unique         1.99, 2.70 A)
 &rst
  ixpk= 433, nxpk= 20, iat=1221,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1225,1226,
 &end
#
#   76 LEU  HN           76 LEU  HB-         5.00    (#    434:20  Unique         1.99, 2.70 A)
 &rst
  ixpk= 434, nxpk= 20, iat=1221,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1225,1226,
 &end
#
#    4 ARG  HN            4 ARG  HD-         5.00    (#    435:20  Unique         4.32, 5.10 A)
 &rst
  ixpk= 435, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  72,  73,
 &end
#
#   75 ASP  HN           75 ASP  HB+         5.00    (#    437:20  Unique         2.04, 3.06 A)
 &rst
  ixpk= 437, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1213,1214,
 &end
#
#   75 ASP  HN           75 ASP  HB-         5.00    (#    438:20  Unique         2.04, 3.06 A)
 &rst
  ixpk= 438, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1213,1214,
 &end
#
#   77 ASP  HN           77 ASP  HB+         4.00    (#    440:20  Unique         2.01, 2.65 A)
 &rst
  ixpk= 440, nxpk= 20, iat=1240,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1244,1245,
 &end
#
#   77 ASP  HN           77 ASP  HB-         4.00    (#    441:20  Unique         2.01, 2.65 A)
 &rst
  ixpk= 441, nxpk= 20, iat=1240,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1244,1245,
 &end
#
#  102 LEU  HN          102 LEU  HB-         5.00    (#    444:20  Unique         1.99, 2.91 A)
 &rst
  ixpk= 444, nxpk= 20, iat=1610,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1614,1615,
 &end
#
#   71 ARG  HN           75 ASP  HB+         6.00    (#    445:20  Unique         2.69, 3.55 A)
 &rst
  ixpk= 445, nxpk= 20, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1213,1214,
 &end
#
#    0 AMB  20-2:446      0 AMB  20-1:446    4.00    (#    446:20  Double Ambig)
 &rst
  ixpk= 446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 991,1197,
 igr2= 488, 489,1286,1287,
 &end
#
#   41 CYS  HN           45 LYS  HE+         6.00    (#    447:20  Unique         2.12, 2.99 A)
 &rst
  ixpk= 447, nxpk= 20, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 736, 737,
 &end
#
#   71 ARG  HN           75 ASP  HB-         6.00    (#    448:20  Unique         2.69, 3.55 A)
 &rst
  ixpk= 448, nxpk= 20, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1213,1214,
 &end
#
#   72 SER  HN           75 ASP  HB-         5.00    (#    449:20  Unique         2.18, 3.54 A)
 &rst
  ixpk= 449, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1213,1214,
 &end
#
#   63 ASN  HD2+        117 PHE  HB+         6.00    (#    450:20  Unique         5.19, 7.78 A)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1036,1037,
 igr2=1852,1853,
 &end
#
#  102 LEU  HN          102 LEU  HB+         5.00    (#    451:20  Unique         1.99, 2.91 A)
 &rst
  ixpk= 451, nxpk= 20, iat=1610,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1614,1615,
 &end
#
#    0 AMB  20-2:452    117 PHE  HB-         6.00    (#    452:20  Single Ambig)
 &rst
  ixpk= 452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1868,1916, 117,
 igr2=1852,1853,
 &end
#
#    0 AMB  20-2:453      0 AMB  20-1:453    5.00    (#    453:20  Double Ambig)
 &rst
  ixpk= 453, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1273, 863,
 igr2=1286,1287, 932, 933,
 &end
#
#    0 AMB  20-2:454      0 AMB  20-1:454    6.00    (#    454:20  Double Ambig)
 &rst
  ixpk= 454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1560, 240,
 igr2= 231, 232, 231, 232,
 &end
#
#    0 AMB  20-2:455      0 AMB  20-1:455    5.00    (#    455:20  Double Ambig)
 &rst
  ixpk= 455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1868,1916, 117,
 igr2=1852,1853,1852,1853,1852,1853,
 &end
#
#   43 LEU  HN           43 LEU  HB+         5.00    (#    459:20  Unique         2.35, 3.03 A)
 &rst
  ixpk= 459, nxpk= 20, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 697, 698,
 &end
#
#  120 THR  HN          119 LYS  HE+         4.00    (#    460:20  Unique         3.26, 4.37 A)
 &rst
  ixpk= 460, nxpk= 20, iat=1902,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1893,1894,
 &end
#
#  119 LYS  HN          119 LYS  HE+         5.00    (#    461:20  Unique         4.27, 5.28 A)
 &rst
  ixpk= 461, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1893,1894,
 &end
#
#  138 LYS  HN            0 AMB  20-1:462    5.00    (#    462:20  Single Ambig)
 &rst
  ixpk= 462, nxpk= 20, iat=2169,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2182,2183,2109,2110,2201,2202,
 &end
#
#  117 PHE  HD          117 PHE  HB+         4.00    (#    463:20  Unique         2.32, 3.05 A)
 &rst
  ixpk= 463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1856,1864,
 igr2=1852,1853,
 &end
#
#  144 LEU  HN          144 LEU  HB+         4.00    (#    466:20  Unique         2.36, 3.02 A)
 &rst
  ixpk= 466, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2289,2290,
 &end
#
#  145 ALA  HN          144 LEU  HB+         4.00    (#    467:20  Unique         2.59, 3.31 A)
 &rst
  ixpk= 467, nxpk= 20, iat=2304,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2289,2290,
 &end
#
#   26 LEU  HN           26 LEU  HB+         5.00    (#    468:20  Unique         1.99, 2.66 A)
 &rst
  ixpk= 468, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 419, 420,
 &end
#
#  145 ALA  HN          144 LEU  HB-         5.00    (#    469:20  Unique         2.59, 3.31 A)
 &rst
  ixpk= 469, nxpk= 20, iat=2304,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2289,2290,
 &end
#
#  144 LEU  HN          144 LEU  HB-         4.00    (#    470:20  Unique         2.36, 3.02 A)
 &rst
  ixpk= 470, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2289,2290,
 &end
#
#  126 PHE  HE          110 TYR  HB-         4.00    (#    472:20  Unique         3.74, 5.29 A)
 &rst
  ixpk= 472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2010,2014,
 igr2=1733,1734,
 &end
#
#    0 AMB  20-2:473      0 AMB  20-1:473    5.00    (#    473:20  Double Ambig)
 &rst
  ixpk= 473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1868,1916,
 igr2=1872,1873,1872,1873,
 &end
#
#  126 PHE  HE          110 TYR  HB+         4.00    (#    474:20  Unique         3.74, 5.29 A)
 &rst
  ixpk= 474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2010,2014,
 igr2=1733,1734,
 &end
#
#   43 LEU  HN           43 LEU  HB-         5.00    (#    476:20  Unique         2.35, 3.03 A)
 &rst
  ixpk= 476, nxpk= 20, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 697, 698,
 &end
#
#  119 LYS  HN          118 ASP  HB-         4.00    (#    477:20  Unique         2.14, 3.27 A)
 &rst
  ixpk= 477, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1872,1873,
 &end
#
#  111 VAL  HN          110 TYR  HB-         4.00    (#    478:20  Unique         1.62, 2.83 A)
 &rst
  ixpk= 478, nxpk= 20, iat=1750,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1733,1734,
 &end
#
#  110 TYR  HN          110 TYR  HB-         5.00    (#    479:20  Unique         3.01, 3.38 A)
 &rst
  ixpk= 479, nxpk= 20, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1733,1734,
 &end
#
#  139 ARG  HN          139 ARG  HD-         5.00    (#    480:20  Unique         2.61, 4.58 A)
 &rst
  ixpk= 480, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2201,2202,
 &end
#
#  119 LYS  HN          118 ASP  HB+         5.00    (#    481:20  Unique         2.14, 3.27 A)
 &rst
  ixpk= 481, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1872,1873,
 &end
#
#  110 TYR  HN          110 TYR  HB+         4.00    (#    482:20  Unique         3.01, 3.38 A)
 &rst
  ixpk= 482, nxpk= 20, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1733,1734,
 &end
#
#  111 VAL  HN          110 TYR  HB+         4.00    (#    484:20  Unique         1.62, 2.83 A)
 &rst
  ixpk= 484, nxpk= 20, iat=1750,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1733,1734,
 &end
#
#    4 ARG  HN            3 LEU  HB+         5.00    (#    486:20  Unique         2.39, 3.19 A)
 &rst
  ixpk= 486, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  47,  48,
 &end
#
#    3 LEU  HN            3 LEU  HB+         4.00    (#    487:20  Unique         2.60, 3.59 A)
 &rst
  ixpk= 487, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  47,  48,
 &end
#
#    4 ARG  HN            3 LEU  HB-         5.00    (#    488:20  Unique         2.39, 3.19 A)
 &rst
  ixpk= 488, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  47,  48,
 &end
#
#    3 LEU  HN            3 LEU  HB-         4.00    (#    489:20  Unique         2.60, 3.59 A)
 &rst
  ixpk= 489, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  47,  48,
 &end
#
#  115 TYR  HN          115 TYR  HB-         6.00    (#    490:20  Unique         2.18, 2.88 A)
 &rst
  ixpk= 490, nxpk= 20, iat=1811,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1815,1816,
 &end
#
#  115 TYR  HD          115 TYR  HB-         4.00    (#    494:20  Unique         2.31, 3.08 A)
 &rst
  ixpk= 494, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1819,1828,
 igr2=1815,1816,
 &end
#
#   99 ASP  HN           99 ASP  HB-         5.00    (#    496:20  Unique         2.04, 2.93 A)
 &rst
  ixpk= 496, nxpk= 20, iat=1571,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1575,1576,
 &end
#
#   74 ASP  HN           74 ASP  HB+         4.00    (#    497:20  Unique         2.03, 2.89 A)
 &rst
  ixpk= 497, nxpk= 20, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1201,1202,
 &end
#
#   74 ASP  HN           74 ASP  HB-         4.00    (#    499:20  Unique         2.03, 2.89 A)
 &rst
  ixpk= 499, nxpk= 20, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1201,1202,
 &end
#
#  108 ASN  HD2-        108 ASN  HB+         6.00    (#    500:20  Unique         2.11, 3.35 A)
 &rst
  ixpk= 500, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1709,1710,
 igr2=1704,1705,
 &end
#
#  123 LEU  HN          123 LEU  HB-         5.00    (#    501:20  Unique         2.13, 2.45 A)
 &rst
  ixpk= 501, nxpk= 20, iat=1940,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1944,1945,
 &end
#
#   60 ASP  HN            0 AMB  20-1:502    4.00    (#    502:20  Single Ambig)
 &rst
  ixpk= 502, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 983, 984, 983, 984,
 &end
#
#   61 GLN  HN            0 AMB  20-1:503    4.00    (#    503:20  Single Ambig)
 &rst
  ixpk= 503, nxpk= 20, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 983, 984, 983, 984,
 &end
#
#   75 ASP  HN           74 ASP  HB+         5.00    (#    504:20  Unique         2.20, 2.99 A)
 &rst
  ixpk= 504, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1201,1202,
 &end
#
#   75 ASP  HN           74 ASP  HB-         5.00    (#    505:20  Unique         2.20, 2.99 A)
 &rst
  ixpk= 505, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1201,1202,
 &end
#
#  108 ASN  HN          108 ASN  HB+         5.00    (#    506:20  Unique         2.03, 2.67 A)
 &rst
  ixpk= 506, nxpk= 20, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1704,1705,
 &end
#
#  108 ASN  HN          108 ASN  HB-         5.00    (#    508:20  Unique         2.03, 2.67 A)
 &rst
  ixpk= 508, nxpk= 20, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1704,1705,
 &end
#
#  123 LEU  HN          123 LEU  HB+         6.00    (#    510:20  Unique         2.13, 2.45 A)
 &rst
  ixpk= 510, nxpk= 20, iat=1940,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1944,1945,
 &end
#
#  136 LEU  HN          136 LEU  HB+         5.00    (#    511:20  Unique         2.10, 2.50 A)
 &rst
  ixpk= 511, nxpk= 20, iat=2135,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2139,2140,
 &end
#
#   63 ASN  HD2-         63 ASN  HB-         5.00    (#    512:20  Unique         2.11, 3.27 A)
 &rst
  ixpk= 512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1036,1037,
 igr2=1031,1032,
 &end
#
#  136 LEU  HN          136 LEU  HB-         5.00    (#    513:20  Unique         2.10, 2.50 A)
 &rst
  ixpk= 513, nxpk= 20, iat=2135,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2139,2140,
 &end
#
#   63 ASN  HN           63 ASN  HB-         5.00    (#    514:20  Unique         2.31, 3.05 A)
 &rst
  ixpk= 514, nxpk= 20, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1031,1032,
 &end
#
#   32 THR  HA           63 ASN  HB-         5.00    (#    515:20  Unique         2.08, 3.23 A)
 &rst
  ixpk= 515, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1031,1032,
 &end
#
#   63 ASN  HA           63 ASN  HB-         5.00    (#    516:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 516, nxpk= 20, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1031,1032,
 &end
#
#   63 ASN  HD2-         63 ASN  HB+         5.00    (#    517:20  Unique         2.11, 3.27 A)
 &rst
  ixpk= 517, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1036,1037,
 igr2=1031,1032,
 &end
#
#   32 THR  HA           63 ASN  HB+         5.00    (#    518:20  Unique         2.08, 3.23 A)
 &rst
  ixpk= 518, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1031,1032,
 &end
#
#   63 ASN  HA           63 ASN  HB+         4.00    (#    519:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 519, nxpk= 20, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1031,1032,
 &end
#
#   32 THR  HA           63 ASN  HB+         5.00    (#    521:20  Unique         2.08, 3.23 A)
 &rst
  ixpk= 521, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1031,1032,
 &end
#
#   64 VAL  HN           63 ASN  HB+         5.00    (#    522:20  Unique         3.04, 3.82 A)
 &rst
  ixpk= 522, nxpk= 20, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1031,1032,
 &end
#
#   63 ASN  HN           63 ASN  HB+         5.00    (#    523:20  Unique         2.31, 3.05 A)
 &rst
  ixpk= 523, nxpk= 20, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1031,1032,
 &end
#
#   63 ASN  HD2+         63 ASN  HB+         6.00    (#    524:20  Unique         2.11, 3.27 A)
 &rst
  ixpk= 524, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1036,1037,
 igr2=1031,1032,
 &end
#
#  106 PHE  HN          106 PHE  HB-         5.00    (#    525:20  Unique         2.11, 2.74 A)
 &rst
  ixpk= 525, nxpk= 20, iat=1665,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1669,1670,
 &end
#
#   57 LYS  HN           56 ASP  HB+         4.00    (#    527:20  Unique         2.84, 3.56 A)
 &rst
  ixpk= 527, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 911, 912,
 &end
#
#   56 ASP  HN           56 ASP  HB+         3.00    (#    528:20  Unique         2.06, 2.52 A)
 &rst
  ixpk= 528, nxpk= 20, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 911, 912,
 &end
#
#   28 GLY  HN           27 ILE  HB          4.00    (#    530:20  Unique         2.16, 2.63 A)
 &rst
  ixpk= 530, nxpk= 20, iat= 453, 438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 ILE  HN           27 ILE  HB          4.00    (#    531:20  Unique         2.39, 3.33 A)
 &rst
  ixpk= 531, nxpk= 20, iat= 434, 438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 ASP  HN           89 ASP  HB-         4.00    (#    532:20  Unique         3.32, 3.75 A)
 &rst
  ixpk= 532, nxpk= 20, iat=1417,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1421,1422,
 &end
#
#   52 ASN  HD2+         89 ASP  HB-         4.00    (#    533:20  Unique         3.06, 4.89 A)
 &rst
  ixpk= 533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 843, 844,
 igr2=1421,1422,
 &end
#
#   90 ILE  HN           89 ASP  HB+         5.00    (#    534:20  Unique         2.45, 3.43 A)
 &rst
  ixpk= 534, nxpk= 20, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1421,1422,
 &end
#
#   89 ASP  HN           89 ASP  HB+         4.00    (#    535:20  Unique         3.32, 3.75 A)
 &rst
  ixpk= 535, nxpk= 20, iat=1417,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1421,1422,
 &end
#
#   52 ASN  HD2-         89 ASP  HB+         5.00    (#    536:20  Unique         3.06, 4.89 A)
 &rst
  ixpk= 536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 843, 844,
 igr2=1421,1422,
 &end
#
#   34 ILE  HN           34 ILE  HB          4.00    (#    537:20  Unique         2.48, 2.61 A)
 &rst
  ixpk= 537, nxpk= 20, iat= 544, 548, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 ILE  HA           34 ILE  HB          5.00    (#    538:20  Unique         3.00, 3.02 A)
 &rst
  ixpk= 538, nxpk= 20, iat= 546, 548, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 ASN  HD2-         89 ASP  HB-         5.00    (#    539:20  Unique         3.06, 4.89 A)
 &rst
  ixpk= 539, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 843, 844,
 igr2=1421,1422,
 &end
#
#  104 ASP  HN          104 ASP  HB-         4.00    (#    540:20  Unique         2.18, 2.80 A)
 &rst
  ixpk= 540, nxpk= 20, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1647,1648,
 &end
#
#  105 ALA  HN          104 ASP  HB-         4.00    (#    541:20  Unique         2.66, 3.48 A)
 &rst
  ixpk= 541, nxpk= 20, iat=1655,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1647,1648,
 &end
#
#  104 ASP  HN          104 ASP  HB+         4.00    (#    542:20  Unique         2.18, 2.80 A)
 &rst
  ixpk= 542, nxpk= 20, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1647,1648,
 &end
#
#  105 ALA  HN          104 ASP  HB+         4.00    (#    543:20  Unique         2.66, 3.48 A)
 &rst
  ixpk= 543, nxpk= 20, iat=1655,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1647,1648,
 &end
#
#   52 ASN  HD2+         89 ASP  HB+         5.00    (#    544:20  Unique         3.06, 4.89 A)
 &rst
  ixpk= 544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 843, 844,
 igr2=1421,1422,
 &end
#
#  115 TYR  HD           34 ILE  HB          5.00    (#    545:20  Unique         3.15, 4.93 A)
 &rst
  ixpk= 545, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1819,1828,
 &end
#
#  117 PHE  HD           34 ILE  HB          6.00    (#    546:20  Unique         3.85, 5.56 A)
 &rst
  ixpk= 546, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1856,1864,
 &end
#
#   39 ILE  HN           39 ILE  HB          5.00    (#    547:20  Unique         3.50, 3.56 A)
 &rst
  ixpk= 547, nxpk= 20, iat= 635, 639, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 ARG  HN           54 PHE  HB-         5.00    (#    553:20  Unique         2.45, 3.36 A)
 &rst
  ixpk= 553, nxpk= 20, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 867, 868,
 &end
#
#   54 PHE  HN           54 PHE  HB-         4.00    (#    555:20  Unique         1.90, 2.39 A)
 &rst
  ixpk= 555, nxpk= 20, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 867, 868,
 &end
#
#    0 AMB  20-2:556     54 PHE  HB-         6.00    (#    556:20  Single Ambig)
 &rst
  ixpk= 556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 813, 814, 873, 877,
 igr2= 867, 868,
 &end
#
#   55 ARG  HN           54 PHE  HB+         5.00    (#    557:20  Unique         2.45, 3.36 A)
 &rst
  ixpk= 557, nxpk= 20, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 867, 868,
 &end
#
#   54 PHE  HN           54 PHE  HB+         3.00    (#    558:20  Unique         1.90, 2.39 A)
 &rst
  ixpk= 558, nxpk= 20, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 867, 868,
 &end
#
#  141 ASN  HN          141 ASN  HB-         4.00    (#    560:20  Unique         2.13, 3.02 A)
 &rst
  ixpk= 560, nxpk= 20, iat=2231,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2235,2236,
 &end
#
#  141 ASN  HD2+        141 ASN  HB-         5.00    (#    561:20  Unique         2.11, 3.20 A)
 &rst
  ixpk= 561, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2240,2241,
 igr2=2235,2236,
 &end
#
#  141 ASN  HD2-        141 ASN  HB-         5.00    (#    562:20  Unique         2.11, 3.20 A)
 &rst
  ixpk= 562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2240,2241,
 igr2=2235,2236,
 &end
#
#  141 ASN  HN          141 ASN  HB+         4.00    (#    563:20  Unique         2.13, 3.02 A)
 &rst
  ixpk= 563, nxpk= 20, iat=2231,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2235,2236,
 &end
#
#  141 ASN  HD2+        141 ASN  HB+         5.00    (#    564:20  Unique         2.11, 3.20 A)
 &rst
  ixpk= 564, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2240,2241,
 igr2=2235,2236,
 &end
#
#   58 TYR  HN           58 TYR  HB+         5.00    (#    565:20  Unique         2.19, 3.24 A)
 &rst
  ixpk= 565, nxpk= 20, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 945, 946,
 &end
#
#   61 GLN  HE2-         58 TYR  HB-         5.00    (#    566:20  Unique         2.09, 4.64 A)
 &rst
  ixpk= 566, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1003,1004,
 igr2= 945, 946,
 &end
#
#  142 ARG  HN          141 ASN  HB-         5.00    (#    567:20  Unique         2.95, 3.76 A)
 &rst
  ixpk= 567, nxpk= 20, iat=2245,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2235,2236,
 &end
#
#  142 ARG  HN          141 ASN  HB+         5.00    (#    568:20  Unique         2.95, 3.76 A)
 &rst
  ixpk= 568, nxpk= 20, iat=2245,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2235,2236,
 &end
#
#  141 ASN  HD2-        141 ASN  HB+         5.00    (#    569:20  Unique         2.11, 3.20 A)
 &rst
  ixpk= 569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2240,2241,
 igr2=2235,2236,
 &end
#
#   82 LYS  HN           81 ILE  HB          5.00    (#    570:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 570, nxpk= 20, iat=1314,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 ILE  HN           81 ILE  HB          4.00    (#    571:20  Unique         2.23, 2.39 A)
 &rst
  ixpk= 571, nxpk= 20, iat=1295,1299, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 GLU  HN           24 GLU  HG-         5.00    (#    572:20  Unique         1.93, 2.64 A)
 &rst
  ixpk= 572, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 390, 391,
 &end
#
#   24 GLU  HN           24 GLU  HG+         4.00    (#    573:20  Unique         1.93, 2.64 A)
 &rst
  ixpk= 573, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 390, 391,
 &end
#
#   52 ASN  HN           52 ASN  HB+         4.00    (#    574:20  Unique         2.03, 2.79 A)
 &rst
  ixpk= 574, nxpk= 20, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 838, 839,
 &end
#
#   52 ASN  HD2+         52 ASN  HB+         4.00    (#    575:20  Unique         2.10, 3.33 A)
 &rst
  ixpk= 575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 843, 844,
 igr2= 838, 839,
 &end
#
#   52 ASN  HD2-         52 ASN  HB+         5.00    (#    577:20  Unique         2.10, 3.33 A)
 &rst
  ixpk= 577, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 843, 844,
 igr2= 838, 839,
 &end
#
#   18 ASN  HD2+         18 ASN  HB+         4.00    (#    580:20  Unique         2.11, 3.22 A)
 &rst
  ixpk= 580, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 302, 303,
 igr2= 297, 298,
 &end
#
#   18 ASN  HD2-         18 ASN  HB+         5.00    (#    581:20  Unique         2.11, 3.22 A)
 &rst
  ixpk= 581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 302, 303,
 igr2= 297, 298,
 &end
#
#  146 GLU  HN          146 GLU  HG-         4.00    (#    582:20  Unique         2.06, 3.10 A)
 &rst
  ixpk= 582, nxpk= 20, iat=2314,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2321,2322,
 &end
#
#    0 AMB  20-2:583     46 GLU  HG-         5.00    (#    583:20  Single Ambig)
 &rst
  ixpk= 583, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 760, 770,
 igr2= 752, 753,
 &end
#
#  146 GLU  HN          146 GLU  HG+         4.00    (#    584:20  Unique         2.06, 3.10 A)
 &rst
  ixpk= 584, nxpk= 20, iat=2314,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2321,2322,
 &end
#
#   18 ASN  HD2-         18 ASN  HB-         6.00    (#    585:20  Unique         2.11, 3.22 A)
 &rst
  ixpk= 585, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 302, 303,
 igr2= 297, 298,
 &end
#
#   18 ASN  HD2+         18 ASN  HB-         5.00    (#    586:20  Unique         2.11, 3.22 A)
 &rst
  ixpk= 586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 302, 303,
 igr2= 297, 298,
 &end
#
#   53 GLU  HN           53 GLU  HG+         4.00    (#    588:20  Unique         1.80, 2.99 A)
 &rst
  ixpk= 588, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 855, 856,
 &end
#
#   53 GLU  HN           53 GLU  HG-         4.00    (#    590:20  Unique         1.80, 2.99 A)
 &rst
  ixpk= 590, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 855, 856,
 &end
#
#   90 ILE  HN           90 ILE  HB          4.00    (#    591:20  Unique         2.14, 3.15 A)
 &rst
  ixpk= 591, nxpk= 20, iat=1429,1433, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:593      0 AMB  20-1:593    5.00    (#    593:20  Double Ambig)
 &rst
  ixpk= 593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 148,2329,
 igr2= 155, 156,2321,2322,
 &end
#
#   46 GLU  HN           46 GLU  HG+         4.00    (#    594:20  Unique         1.93, 2.52 A)
 &rst
  ixpk= 594, nxpk= 20, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 752, 753,
 &end
#
#   29 GLU  HN           29 GLU  HG-         5.00    (#    595:20  Unique         2.66, 4.30 A)
 &rst
  ixpk= 595, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 467, 468,
 &end
#
#    9 GLU  HN            9 GLU  HG-         4.00    (#    597:20  Unique         2.35, 3.56 A)
 &rst
  ixpk= 597, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 155, 156,
 &end
#
#   30 LYS  HN           29 GLU  HG+         6.00    (#    598:20  Unique         2.01, 3.98 A)
 &rst
  ixpk= 598, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 467, 468,
 &end
#
#   65 VAL  HN           65 VAL  HB          4.00    (#    599:20  Unique         3.08, 3.61 A)
 &rst
  ixpk= 599, nxpk= 20, iat=1057,1061, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 ILE  HA           65 VAL  HB          5.00    (#    600:20  Unique         4.51, 4.71 A)
 &rst
  ixpk= 600, nxpk= 20, iat= 546,1061, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  110 TYR  HN          109 GLU  HG-         5.00    (#    601:20  Unique         4.48, 5.10 A)
 &rst
  ixpk= 601, nxpk= 20, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1721,1722,
 &end
#
#   10 LEU  HN            9 GLU  HG+         5.00    (#    603:20  Unique         4.01, 4.80 A)
 &rst
  ixpk= 603, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 155, 156,
 &end
#
#   10 LEU  HN            9 GLU  HG-         5.00    (#    605:20  Unique         4.01, 4.80 A)
 &rst
  ixpk= 605, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 155, 156,
 &end
#
#  137 GLU  HN          137 GLU  HG-         4.00    (#    606:20  Unique         3.53, 4.13 A)
 &rst
  ixpk= 606, nxpk= 20, iat=2154,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2161,2162,
 &end
#
#  141 ASN  HD2+        137 GLU  HG-         5.00    (#    607:20  Unique         3.14, 5.09 A)
 &rst
  ixpk= 607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2240,2241,
 igr2=2161,2162,
 &end
#
#   58 TYR  HD          137 GLU  HG-         5.00    (#    608:20  Unique         3.02, 5.67 A)
 &rst
  ixpk= 608, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 949, 958,
 igr2=2161,2162,
 &end
#
#  109 GLU  HN          109 GLU  HG-         5.00    (#    610:20  Unique         4.01, 4.64 A)
 &rst
  ixpk= 610, nxpk= 20, iat=1714,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1721,1722,
 &end
#
#  109 GLU  HN          109 GLU  HG+         5.00    (#    611:20  Unique         4.01, 4.64 A)
 &rst
  ixpk= 611, nxpk= 20, iat=1714,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1721,1722,
 &end
#
#  141 ASN  HD2-        137 GLU  HG-         4.00    (#    612:20  Unique         3.14, 5.09 A)
 &rst
  ixpk= 612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2240,2241,
 igr2=2161,2162,
 &end
#
#  141 ASN  HD2+        137 GLU  HG-         5.00    (#    613:20  Unique         3.14, 5.09 A)
 &rst
  ixpk= 613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2240,2241,
 igr2=2161,2162,
 &end
#
#   88 HIS  HN           87 GLU  HG-         6.00    (#    614:20  Unique         2.56, 4.53 A)
 &rst
  ixpk= 614, nxpk= 20, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1392,1393,
 &end
#
#   87 GLU  HN           87 GLU  HG+         3.00    (#    615:20  Unique         2.85, 3.55 A)
 &rst
  ixpk= 615, nxpk= 20, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1392,1393,
 &end
#
#   87 GLU  HN           87 GLU  HG-         4.00    (#    616:20  Unique         2.85, 3.55 A)
 &rst
  ixpk= 616, nxpk= 20, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1392,1393,
 &end
#
#    0 AMB  20-2:617     50 GLN  HG-         3.00    (#    617:20  Single Ambig)
 &rst
  ixpk= 617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 813, 814, 801,
 igr2= 808, 809,
 &end
#
#    0 AMB  20-2:618     50 GLN  HG-         4.00    (#    618:20  Single Ambig)
 &rst
  ixpk= 618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 818, 848,
 igr2= 808, 809,
 &end
#
#   50 GLN  HE2-         50 GLN  HG-         5.00    (#    619:20  Unique         2.11, 3.39 A)
 &rst
  ixpk= 619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 813, 814,
 igr2= 808, 809,
 &end
#
#   22 THR  HN           21 VAL  HB          4.00    (#    620:20  Unique         2.47, 3.69 A)
 &rst
  ixpk= 620, nxpk= 20, iat= 345, 333, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   30 LYS  HN           30 LYS  HB-         5.00    (#    621:20  Unique         2.40, 3.13 A)
 &rst
  ixpk= 621, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 479, 480,
 &end
#
#   63 ASN  HD2+         30 LYS  HB-         5.00    (#    622:20  Unique         2.18, 3.69 A)
 &rst
  ixpk= 622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1036,1037,
 igr2= 479, 480,
 &end
#
#   61 GLN  HE2-         61 GLN  HG-         5.00    (#    623:20  Unique         2.10, 3.16 A)
 &rst
  ixpk= 623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1003,1004,
 igr2= 998, 999,
 &end
#
#    2 LYS  HN            1 MET  HB-         5.00    (#    624:20  Unique         2.12, 3.45 A)
 &rst
  ixpk= 624, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=   8,   9,
 &end
#
#   20 GLU  HN           20 GLU  HG-         5.00    (#    625:20  Unique         1.92, 3.82 A)
 &rst
  ixpk= 625, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 321, 322,
 &end
#
#   20 GLU  HN           20 GLU  HG+         5.00    (#    626:20  Unique         1.92, 3.82 A)
 &rst
  ixpk= 626, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 321, 322,
 &end
#
#  113 ALA  HN          112 PRO  HB-         5.00    (#    628:20  Unique         2.71, 3.22 A)
 &rst
  ixpk= 628, nxpk= 20, iat=1780,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1773,1774,
 &end
#
#  113 ALA  HN            0 AMB  20-1:629    4.00    (#    629:20  Single Ambig)
 &rst
  ixpk= 629, nxpk= 20, iat=1780,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1773,1774,1754,
 &end
#
#   37 TRP  HA            0 AMB  20-1:630    5.00    (#    630:20  Single Ambig)
 &rst
  ixpk= 630, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1773,1774,1754,
 &end
#
#    0 AMB  20-2:631      0 AMB  20-1:631    4.00    (#    631:20  Double Ambig)
 &rst
  ixpk= 631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  21,2047,
 igr2=  25,  26,1773,1774,
 &end
#
#   61 GLN  HN           61 GLN  HG+         4.00    (#    634:20  Unique         2.05, 3.39 A)
 &rst
  ixpk= 634, nxpk= 20, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 998, 999,
 &end
#
#   61 GLN  HE2+         61 GLN  HG+         4.00    (#    635:20  Unique         2.10, 3.16 A)
 &rst
  ixpk= 635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1003,1004,
 igr2= 998, 999,
 &end
#
#   61 GLN  HE2-         61 GLN  HG+         4.00    (#    637:20  Unique         2.10, 3.16 A)
 &rst
  ixpk= 637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1003,1004,
 igr2= 998, 999,
 &end
#
#  122 GLN  HN          122 GLN  HG-         4.00    (#    638:20  Unique         2.39, 3.35 A)
 &rst
  ixpk= 638, nxpk= 20, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1930,1931,
 &end
#
#  122 GLN  HE2-        122 GLN  HG-         5.00    (#    639:20  Unique         2.10, 3.25 A)
 &rst
  ixpk= 639, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1935,1936,
 igr2=1930,1931,
 &end
#
#   61 GLN  HN           61 GLN  HG-         4.00    (#    640:20  Unique         2.05, 3.39 A)
 &rst
  ixpk= 640, nxpk= 20, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 998, 999,
 &end
#
#   61 GLN  HE2+         61 GLN  HG-         4.00    (#    641:20  Unique         2.10, 3.16 A)
 &rst
  ixpk= 641, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1003,1004,
 igr2= 998, 999,
 &end
#
#  122 GLN  HN          122 GLN  HG+         5.00    (#    642:20  Unique         2.39, 3.35 A)
 &rst
  ixpk= 642, nxpk= 20, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1930,1931,
 &end
#
#  122 GLN  HE2+        122 GLN  HG+         5.00    (#    643:20  Unique         2.10, 3.25 A)
 &rst
  ixpk= 643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1935,1936,
 igr2=1930,1931,
 &end
#
#  122 GLN  HE2-        122 GLN  HG+         6.00    (#    644:20  Unique         2.10, 3.25 A)
 &rst
  ixpk= 644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1935,1936,
 igr2=1930,1931,
 &end
#
#   64 VAL  HN           64 VAL  HB          4.00    (#    645:20  Unique         2.59, 2.82 A)
 &rst
  ixpk= 645, nxpk= 20, iat=1041,1045, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:646    122 GLN  HG-         5.00    (#    646:20  Single Ambig)
 &rst
  ixpk= 646, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1868,1916,
 igr2=1930,1931,
 &end
#
#    0 AMB  20-2:647      0 AMB  20-1:647    3.00    (#    647:20  Double Ambig)
 &rst
  ixpk= 647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1935,1936,1983,
 igr2=1930,1931,1987,1988,
 &end
#
#    0 AMB  20-2:648      0 AMB  20-1:648    6.00    (#    648:20  Double Ambig)
 &rst
  ixpk= 648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 979,1940,
 igr2= 998, 999,1930,1931,
 &end
#
#  123 LEU  HN          122 GLN  HG+         5.00    (#    649:20  Unique         3.30, 4.48 A)
 &rst
  ixpk= 649, nxpk= 20, iat=1940,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1930,1931,
 &end
#
#   65 VAL  HN           64 VAL  HB          5.00    (#    650:20  Unique         3.44, 3.75 A)
 &rst
  ixpk= 650, nxpk= 20, iat=1057,1045, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 VAL  HA           64 VAL  HB          5.00    (#    651:20  Unique         2.94, 2.98 A)
 &rst
  ixpk= 651, nxpk= 20, iat=1043,1045, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 LEU  HN            2 LYS  HB+         4.00    (#    652:20  Unique         1.93, 3.82 A)
 &rst
  ixpk= 652, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  25,  26,
 &end
#
#    3 LEU  HN            2 LYS  HB-         5.00    (#    653:20  Unique         1.93, 3.82 A)
 &rst
  ixpk= 653, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  25,  26,
 &end
#
#    2 LYS  HN            2 LYS  HB-         5.00    (#    654:20  Unique         3.07, 3.64 A)
 &rst
  ixpk= 654, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  25,  26,
 &end
#
#    5 GLN  HE2+          5 GLN  HG+         4.00    (#    656:20  Unique         2.59, 3.59 A)
 &rst
  ixpk= 656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  98,  99,
 igr2=  93,  94,
 &end
#
#    2 LYS  HN            5 GLN  HG+         5.00    (#    657:20  Unique         1.88, 3.23 A)
 &rst
  ixpk= 657, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  93,  94,
 &end
#
#    5 GLN  HE2-          5 GLN  HG+         3.00    (#    658:20  Unique         2.59, 3.59 A)
 &rst
  ixpk= 658, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  98,  99,
 igr2=  93,  94,
 &end
#
#    0 AMB  20-2:661    116 VAL  HB          5.00    (#    661:20  Single Ambig)
 &rst
  ixpk= 661, nxpk= 20, iat=  -1,1836, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1834,1813,
 &end
#
#  125 HIS  HN          116 VAL  HB          5.00    (#    662:20  Unique         2.55, 2.99 A)
 &rst
  ixpk= 662, nxpk= 20, iat=1983,1836, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LYS  HN           29 GLU  HB+         4.00    (#    663:20  Unique         2.66, 3.59 A)
 &rst
  ixpk= 663, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 464, 465,
 &end
#
#   32 THR  HN           31 PRO  HB-         5.00    (#    664:20  Unique         2.82, 3.25 A)
 &rst
  ixpk= 664, nxpk= 20, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 504, 505,
 &end
#
#    0 AMB  20-2:665      0 AMB  20-1:665    4.00    (#    665:20  Double Ambig)
 &rst
  ixpk= 665, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 974, 975, 896,
 igr2= 969, 970, 969, 970,
 &end
#
#  116 VAL  HN          116 VAL  HB          5.00    (#    666:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 666, nxpk= 20, iat=1832,1836, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 GLU  HN           29 GLU  HB+         5.00    (#    667:20  Unique         2.64, 3.49 A)
 &rst
  ixpk= 667, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 464, 465,
 &end
#
#   32 THR  HN           31 PRO  HB+         5.00    (#    668:20  Unique         2.82, 3.25 A)
 &rst
  ixpk= 668, nxpk= 20, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 504, 505,
 &end
#
#   30 LYS  HN           29 GLU  HB-         4.00    (#    669:20  Unique         2.66, 3.59 A)
 &rst
  ixpk= 669, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 464, 465,
 &end
#
#   29 GLU  HN           29 GLU  HB-         4.00    (#    670:20  Unique         2.64, 3.49 A)
 &rst
  ixpk= 670, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 464, 465,
 &end
#
#   60 ASP  HN           59 GLN  HG-         5.00    (#    671:20  Unique         2.48, 3.99 A)
 &rst
  ixpk= 671, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 969, 970,
 &end
#
#   59 GLN  HN           59 GLN  HG-         4.00    (#    672:20  Unique         1.79, 3.82 A)
 &rst
  ixpk= 672, nxpk= 20, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 969, 970,
 &end
#
#    0 AMB  20-2:673     59 GLN  HG-         5.00    (#    673:20  Single Ambig)
 &rst
  ixpk= 673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 974, 975, 896,
 igr2= 969, 970,
 &end
#
#   60 ASP  HN           59 GLN  HG+         5.00    (#    674:20  Unique         2.48, 3.99 A)
 &rst
  ixpk= 674, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 969, 970,
 &end
#
#   59 GLN  HE2-         59 GLN  HG+         4.00    (#    675:20  Unique         2.11, 3.38 A)
 &rst
  ixpk= 675, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 974, 975,
 igr2= 969, 970,
 &end
#
#   59 GLN  HN           59 GLN  HG+         4.00    (#    676:20  Unique         1.79, 3.82 A)
 &rst
  ixpk= 676, nxpk= 20, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 969, 970,
 &end
#
#   61 GLN  HN           61 GLN  HB+         4.00    (#    677:20  Unique         2.43, 3.08 A)
 &rst
  ixpk= 677, nxpk= 20, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 995, 996,
 &end
#
#   67 VAL  HN           67 VAL  HB          5.00    (#    678:20  Unique         2.45, 2.85 A)
 &rst
  ixpk= 678, nxpk= 20, iat=1083,1087, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 PHE  HA           67 VAL  HB          5.00    (#    679:20  Unique         2.06, 2.54 A)
 &rst
  ixpk= 679, nxpk= 20, iat= 582,1087, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 GLN  HE2-         61 GLN  HB-         5.00    (#    681:20  Unique         2.51, 4.35 A)
 &rst
  ixpk= 681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1003,1004,
 igr2= 995, 996,
 &end
#
#  128 ALA  HN          127 GLN  HB-         4.00    (#    682:20  Unique         2.84, 3.92 A)
 &rst
  ixpk= 682, nxpk= 20, iat=2037,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2024,2025,
 &end
#
#   14 LYS  HN           14 LYS  HB+         4.00    (#    686:20  Unique         2.39, 3.24 A)
 &rst
  ixpk= 686, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 222, 223,
 &end
#
#   14 LYS  HN           14 LYS  HB-         5.00    (#    689:20  Unique         2.39, 3.24 A)
 &rst
  ixpk= 689, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 222, 223,
 &end
#
#    0 AMB  20-2:690     14 LYS  HB-         5.00    (#    690:20  Single Ambig)
 &rst
  ixpk= 690, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 240,1560,
 igr2= 222, 223,
 &end
#
#   82 LYS  HN           82 LYS  HB+         3.00    (#    691:20  Unique         2.01, 2.59 A)
 &rst
  ixpk= 691, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1318,1319,
 &end
#
#   82 LYS  HN           82 LYS  HB-         3.00    (#    692:20  Unique         2.01, 2.59 A)
 &rst
  ixpk= 692, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1318,1319,
 &end
#
#   57 LYS  HN           57 LYS  HB-         3.00    (#    693:20  Unique         2.01, 2.59 A)
 &rst
  ixpk= 693, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 923, 924,
 &end
#
#   58 TYR  HN           57 LYS  HB-         4.00    (#    694:20  Unique         2.24, 2.86 A)
 &rst
  ixpk= 694, nxpk= 20, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 923, 924,
 &end
#
#   14 LYS  HN           14 LYS  HB-         5.00    (#    695:20  Unique         2.39, 3.24 A)
 &rst
  ixpk= 695, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 222, 223,
 &end
#
#   57 LYS  HN           57 LYS  HB+         4.00    (#    696:20  Unique         2.01, 2.59 A)
 &rst
  ixpk= 696, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 923, 924,
 &end
#
#   58 TYR  HN           57 LYS  HB+         4.00    (#    697:20  Unique         2.24, 2.86 A)
 &rst
  ixpk= 697, nxpk= 20, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 923, 924,
 &end
#
#    7 MET  HN            6 PRO  HB+         5.00    (#    698:20  Unique         2.08, 3.86 A)
 &rst
  ixpk= 698, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 110, 111,
 &end
#
#   14 LYS  HN           14 LYS  HB+         3.00    (#    699:20  Unique         2.39, 3.24 A)
 &rst
  ixpk= 699, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 222, 223,
 &end
#
#   46 GLU  HN           45 LYS  HB+         4.00    (#    700:20  Unique         2.15, 3.48 A)
 &rst
  ixpk= 700, nxpk= 20, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 727, 728,
 &end
#
#   35 HIS  HA           35 HIS  HB-         5.00    (#    701:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 701, nxpk= 20, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 567, 568,
 &end
#
#   35 HIS  HD2          35 HIS  HB+         5.00    (#    703:20  Unique         2.94, 3.56 A)
 &rst
  ixpk= 703, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 567, 568,
 &end
#
#   35 HIS  HA           35 HIS  HB+         5.00    (#    704:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 704, nxpk= 20, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 567, 568,
 &end
#
#  138 LYS  HN          138 LYS  HB-         3.00    (#    705:20  Unique         2.74, 3.24 A)
 &rst
  ixpk= 705, nxpk= 20, iat=2169,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2173,2174,
 &end
#
#    0 AMB  20-2:706      0 AMB  20-1:706    3.00    (#    706:20  Double Ambig)
 &rst
  ixpk= 706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1273,2169,
 igr2=1277,1278,2173,2174,
 &end
#
#    9 GLU  HN            8 PRO  HB-         4.00    (#    708:20  Unique         2.09, 3.25 A)
 &rst
  ixpk= 708, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 141, 142,
 &end
#
#   79 GLY  HN           78 PRO  HB+         4.00    (#    709:20  Unique         3.64, 4.20 A)
 &rst
  ixpk= 709, nxpk= 20, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1259,1260,
 &end
#
#  139 ARG  HN          138 LYS  HB-         4.00    (#    710:20  Unique         2.49, 3.47 A)
 &rst
  ixpk= 710, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2173,2174,
 &end
#
#   46 GLU  HN           45 LYS  HB+         4.00    (#    711:20  Unique         2.15, 3.48 A)
 &rst
  ixpk= 711, nxpk= 20, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 727, 728,
 &end
#
#  139 ARG  HN          138 LYS  HB+         4.00    (#    712:20  Unique         2.49, 3.47 A)
 &rst
  ixpk= 712, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2173,2174,
 &end
#
#    0 AMB  20-2:713      0 AMB  20-1:713    4.00    (#    713:20  Double Ambig)
 &rst
  ixpk= 713, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 723,2240,2241,
 igr2= 727, 728,2173,2174,
 &end
#
#    9 GLU  HN            8 PRO  HB+         4.00    (#    714:20  Unique         2.09, 3.25 A)
 &rst
  ixpk= 714, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 141, 142,
 &end
#
#  119 LYS  HN          119 LYS  HB+         5.00    (#    715:20  Unique         2.15, 2.90 A)
 &rst
  ixpk= 715, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1884,1885,
 &end
#
#  119 LYS  HN          119 LYS  HB-         5.00    (#    717:20  Unique         2.15, 2.90 A)
 &rst
  ixpk= 717, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1884,1885,
 &end
#
#  109 GLU  HN          109 GLU  HB-         4.00    (#    718:20  Unique         2.68, 3.30 A)
 &rst
  ixpk= 718, nxpk= 20, iat=1714,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1718,1719,
 &end
#
#  110 TYR  HN          109 GLU  HB-         5.00    (#    719:20  Unique         3.96, 4.36 A)
 &rst
  ixpk= 719, nxpk= 20, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1718,1719,
 &end
#
#   92 GLN  HE2+         92 GLN  HG+         6.00    (#    722:20  Unique         2.10, 3.16 A)
 &rst
  ixpk= 722, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1474,1475,
 igr2=1469,1470,
 &end
#
#   17 LEU  HN           16 TRP  HB-         5.00    (#    724:20  Unique         2.83, 3.62 A)
 &rst
  ixpk= 724, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 254, 255,
 &end
#
#   16 TRP  HA           16 TRP  HB-         5.00    (#    725:20  Unique         2.24, 2.49 A)
 &rst
  ixpk= 725, nxpk= 20, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 254, 255,
 &end
#
#   41 CYS  HN           41 CYS  HB+         4.00    (#    726:20  Unique         2.23, 3.01 A)
 &rst
  ixpk= 726, nxpk= 20, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 669, 670,
 &end
#
#   16 TRP  HN           16 TRP  HB+         5.00    (#    727:20  Unique         2.66, 3.51 A)
 &rst
  ixpk= 727, nxpk= 20, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 254, 255,
 &end
#
#   16 TRP  HA           16 TRP  HB+         5.00    (#    728:20  Unique         2.24, 2.49 A)
 &rst
  ixpk= 728, nxpk= 20, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 254, 255,
 &end
#
#   41 CYS  HN           41 CYS  HB-         5.00    (#    729:20  Unique         2.23, 3.01 A)
 &rst
  ixpk= 729, nxpk= 20, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 669, 670,
 &end
#
#   92 GLN  HE2+         92 GLN  HG-         6.00    (#    730:20  Unique         2.10, 3.16 A)
 &rst
  ixpk= 730, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1474,1475,
 igr2=1469,1470,
 &end
#
#  135 MET  HN          135 MET  HB+         5.00    (#    731:20  Unique         2.20, 2.65 A)
 &rst
  ixpk= 731, nxpk= 20, iat=2118,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2122,2123,
 &end
#
#   80 LYS  HN           78 PRO  HB+         5.00    (#    732:20  Unique         5.45, 5.75 A)
 &rst
  ixpk= 732, nxpk= 20, iat=1273,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1259,1260,
 &end
#
#   41 CYS  HN           41 CYS  HB+         4.00    (#    733:20  Unique         2.23, 3.01 A)
 &rst
  ixpk= 733, nxpk= 20, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 669, 670,
 &end
#
#    2 LYS  HN            1 MET  HG+         5.00    (#    734:20  Unique         2.93, 4.38 A)
 &rst
  ixpk= 734, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  11,  12,
 &end
#
#  142 ARG  HN          143 VAL  HB          5.00    (#    735:20  Unique         4.07, 4.15 A)
 &rst
  ixpk= 735, nxpk= 20, iat=2245,2273, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    2 LYS  HN            1 MET  HG-         5.00    (#    736:20  Unique         2.93, 4.38 A)
 &rst
  ixpk= 736, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  11,  12,
 &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= 7.57, r4= 8.07,
 igr1=2118,  98,  99,
 igr2=2122,2123,  11,  12,
 &end
#
#  136 LEU  HN          135 MET  HB+         5.00    (#    738:20  Unique         2.43, 3.41 A)
 &rst
  ixpk= 738, nxpk= 20, iat=2135,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2122,2123,
 &end
#
#  135 MET  HN          135 MET  HB+         5.00    (#    739:20  Unique         2.20, 2.65 A)
 &rst
  ixpk= 739, nxpk= 20, iat=2118,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2122,2123,
 &end
#
#  144 LEU  HN          143 VAL  HB          4.00    (#    740:20  Unique         3.12, 3.39 A)
 &rst
  ixpk= 740, nxpk= 20, iat=2285,2273, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  143 VAL  HN          143 VAL  HB          3.00    (#    741:20  Unique         1.95, 2.06 A)
 &rst
  ixpk= 741, nxpk= 20, iat=2269,2273, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   71 ARG  HN           71 ARG  HB+         6.00    (#    744:20  Unique         2.05, 2.60 A)
 &rst
  ixpk= 744, nxpk= 20, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1151,1152,
 &end
#
#    0 AMB  20-2:745    140 VAL  HB          5.00    (#    745:20  Single Ambig)
 &rst
  ixpk= 745, nxpk= 20, iat=  -1,2219, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2245,2169,
 &end
#
#  140 VAL  HN          140 VAL  HB          3.00    (#    746:20  Unique         1.96, 2.12 A)
 &rst
  ixpk= 746, nxpk= 20, iat=2215,2219, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  141 ASN  HN          140 VAL  HB          4.00    (#    747:20  Unique         2.27, 3.06 A)
 &rst
  ixpk= 747, nxpk= 20, iat=2231,2219, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   50 GLN  HN           49 PRO  HB-         5.00    (#    751:20  Unique         3.20, 3.83 A)
 &rst
  ixpk= 751, nxpk= 20, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 794, 795,
 &end
#
#  148 GLU  HN          148 GLU  HB-         4.00    (#    752:20  Unique         2.76, 3.37 A)
 &rst
  ixpk= 752, nxpk= 20, iat=2343,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2347,2348,
 &end
#
#   52 ASN  HN           51 VAL  HB          4.00    (#    753:20  Unique         2.88, 3.34 A)
 &rst
  ixpk= 753, nxpk= 20, iat= 834, 822, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 VAL  HN           51 VAL  HB          3.00    (#    754:20  Unique         2.00, 2.10 A)
 &rst
  ixpk= 754, nxpk= 20, iat= 818, 822, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:755     51 VAL  HB          5.00    (#    755:20  Single Ambig)
 &rst
  ixpk= 755, nxpk= 20, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 801, 770,
 &end
#
#  148 GLU  HN          148 GLU  HB+         4.00    (#    756:20  Unique         2.76, 3.37 A)
 &rst
  ixpk= 756, nxpk= 20, iat=2343,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2347,2348,
 &end
#
#   50 GLN  HN           49 PRO  HB+         5.00    (#    757:20  Unique         3.20, 3.83 A)
 &rst
  ixpk= 757, nxpk= 20, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 794, 795,
 &end
#
#   20 GLU  HN           20 GLU  HB-         4.00    (#    758:20  Unique         2.03, 2.97 A)
 &rst
  ixpk= 758, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 318, 319,
 &end
#
#   20 GLU  HN           20 GLU  HB+         5.00    (#    759:20  Unique         2.03, 2.97 A)
 &rst
  ixpk= 759, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 318, 319,
 &end
#
#  122 GLN  HN          122 GLN  HB-         4.00    (#    761:20  Unique         2.16, 3.08 A)
 &rst
  ixpk= 761, nxpk= 20, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1927,1928,
 &end
#
#    0 AMB  20-2:762      0 AMB  20-1:762    6.00    (#    762:20  Double Ambig)
 &rst
  ixpk= 762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1868,1916,
 igr2=1927,1928,1927,1928,
 &end
#
#  122 GLN  HN          122 GLN  HB+         5.00    (#    763:20  Unique         2.16, 3.08 A)
 &rst
  ixpk= 763, nxpk= 20, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1927,1928,
 &end
#
#   55 ARG  HN           55 ARG  HB+         5.00    (#    765:20  Unique         2.03, 2.52 A)
 &rst
  ixpk= 765, nxpk= 20, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 887, 888,
 &end
#
#  123 LEU  HN          122 GLN  HB+         6.00    (#    766:20  Unique         3.10, 3.94 A)
 &rst
  ixpk= 766, nxpk= 20, iat=1940,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1927,1928,
 &end
#
#   55 ARG  HN           55 ARG  HB-         6.00    (#    767:20  Unique         2.03, 2.52 A)
 &rst
  ixpk= 767, nxpk= 20, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 887, 888,
 &end
#
#   24 GLU  HN           23 ARG  HB+         4.00    (#    768:20  Unique         2.67, 3.84 A)
 &rst
  ixpk= 768, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 363, 364,
 &end
#
#   23 ARG  HN           23 ARG  HB+         4.00    (#    769:20  Unique         2.30, 2.97 A)
 &rst
  ixpk= 769, nxpk= 20, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 363, 364,
 &end
#
#   10 LEU  HN            9 GLU  HB+         5.00    (#    771:20  Unique         2.16, 4.20 A)
 &rst
  ixpk= 771, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 152, 153,
 &end
#
#   88 HIS  HN           88 HIS  HB-         5.00    (#    772:20  Unique         2.28, 3.03 A)
 &rst
  ixpk= 772, nxpk= 20, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1404,1405,
 &end
#
#   10 LEU  HN            9 GLU  HB-         4.00    (#    773:20  Unique         2.16, 4.20 A)
 &rst
  ixpk= 773, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 152, 153,
 &end
#
#    9 GLU  HN            9 GLU  HB-         4.00    (#    775:20  Unique         2.51, 3.43 A)
 &rst
  ixpk= 775, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 152, 153,
 &end
#
#    9 GLU  HN            9 GLU  HB+         4.00    (#    776:20  Unique         2.51, 3.43 A)
 &rst
  ixpk= 776, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 152, 153,
 &end
#
#   88 HIS  HN           88 HIS  HB+         5.00    (#    777:20  Unique         2.28, 3.03 A)
 &rst
  ixpk= 777, nxpk= 20, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1404,1405,
 &end
#
#  119 LYS  HN          119 LYS  HD+         5.00    (#    780:20  Unique         3.97, 4.77 A)
 &rst
  ixpk= 780, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1890,1891,
 &end
#
#  119 LYS  HN          119 LYS  HD-         6.00    (#    781:20  Unique         3.97, 4.77 A)
 &rst
  ixpk= 781, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1890,1891,
 &end
#
#   68 HIS  HN           68 HIS  HB-         6.00    (#    782:20  Unique         2.04, 2.65 A)
 &rst
  ixpk= 782, nxpk= 20, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1103,1104,
 &end
#
#   83 GLU  HN           83 GLU  HB+         5.00    (#    784:20  Unique         2.02, 2.58 A)
 &rst
  ixpk= 784, nxpk= 20, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1340,1341,
 &end
#
#   96 VAL  HN           68 HIS  HB+         5.00    (#    786:20  Unique         4.21, 5.45 A)
 &rst
  ixpk= 786, nxpk= 20, iat=1532,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1103,1104,
 &end
#
#   84 THR  HN           83 GLU  HB-         3.00    (#    787:20  Unique         2.39, 3.13 A)
 &rst
  ixpk= 787, nxpk= 20, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1340,1341,
 &end
#
#    0 AMB  20-2:788      0 AMB  20-1:788    3.00    (#    788:20  Double Ambig)
 &rst
  ixpk= 788, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1336, 745,
 igr2=1340,1341, 749, 750,
 &end
#
#  142 ARG  HN          142 ARG  HB+         3.00    (#    789:20  Unique         2.09, 2.54 A)
 &rst
  ixpk= 789, nxpk= 20, iat=2245,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2249,2250,
 &end
#
#  143 VAL  HN          142 ARG  HB+         3.00    (#    790:20  Unique         2.46, 3.31 A)
 &rst
  ixpk= 790, nxpk= 20, iat=2269,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2249,2250,
 &end
#
#    0 AMB  20-2:792      0 AMB  20-1:792    5.00    (#    792:20  Double Ambig)
 &rst
  ixpk= 792, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1351,  21,
 igr2=1340,1341,  90,  91,
 &end
#
#    5 GLN  HN            5 GLN  HB+         4.00    (#    793:20  Unique         2.17, 3.24 A)
 &rst
  ixpk= 793, nxpk= 20, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  90,  91,
 &end
#
#   68 HIS  HN           68 HIS  HB+         5.00    (#    794:20  Unique         2.04, 2.65 A)
 &rst
  ixpk= 794, nxpk= 20, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1103,1104,
 &end
#
#   87 GLU  HN           87 GLU  HB-         3.00    (#    795:20  Unique         2.12, 2.90 A)
 &rst
  ixpk= 795, nxpk= 20, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1389,1390,
 &end
#
#    0 AMB  20-2:797      0 AMB  20-1:797    4.00    (#    797:20  Double Ambig)
 &rst
  ixpk= 797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1410,2240,2241,
 igr2=1389,1390,2158,2159,
 &end
#
#    5 GLN  HN            5 GLN  HB-         4.00    (#    799:20  Unique         2.17, 3.24 A)
 &rst
  ixpk= 799, nxpk= 20, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  90,  91,
 &end
#
#    0 AMB  20-2:800      0 AMB  20-1:800    6.00    (#    800:20  Double Ambig)
 &rst
  ixpk= 800, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1675,1679, 410, 411,
 igr2=  90,  91, 402, 403,
 &end
#
#   57 LYS  HN           57 LYS  HD-         6.00    (#    801:20  Unique         3.06, 4.66 A)
 &rst
  ixpk= 801, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 929, 930,
 &end
#
#   57 LYS  HN           57 LYS  HD+         6.00    (#    802:20  Unique         3.06, 4.66 A)
 &rst
  ixpk= 802, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 929, 930,
 &end
#
#    0 AMB  20-2:805      0 AMB  20-1:805    3.00    (#    805:20  Double Ambig)
 &rst
  ixpk= 805, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=2314,1400,
 igr2=2318,2319,1389,1390,
 &end
#
#    0 AMB  20-2:807      0 AMB  20-1:807    6.00    (#    807:20  Double Ambig)
 &rst
  ixpk= 807, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=  98,  99, 843, 844,
 igr2=  90,  91, 852, 853,
 &end
#
#   87 GLU  HN           87 GLU  HB+         3.00    (#    808:20  Unique         2.12, 2.90 A)
 &rst
  ixpk= 808, nxpk= 20, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1389,1390,
 &end
#
#   82 LYS  HN           82 LYS  HD+         4.00    (#    810:20  Unique         3.10, 4.44 A)
 &rst
  ixpk= 810, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1324,1325,
 &end
#
#   63 ASN  HD2+         30 LYS  HD+         6.00    (#    811:20  Unique         3.51, 5.11 A)
 &rst
  ixpk= 811, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1036,1037,
 igr2= 485, 486,
 &end
#
#   30 LYS  HA           30 LYS  HD-         5.00    (#    812:20  Unique         2.62, 4.35 A)
 &rst
  ixpk= 812, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 485, 486,
 &end
#
#    0 AMB  20-2:814     25 GLN  HB-         3.00    (#    814:20  Single Ambig)
 &rst
  ixpk= 814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 345, 398,
 igr2= 402, 403,
 &end
#
#   53 GLU  HN           53 GLU  HB-         3.00    (#    815:20  Unique         2.04, 2.94 A)
 &rst
  ixpk= 815, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 852, 853,
 &end
#
#    0 AMB  20-2:816      0 AMB  20-1:816    6.00    (#    816:20  Double Ambig)
 &rst
  ixpk= 816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 410, 411, 873, 877,
 igr2= 402, 403,2158,2159,
 &end
#
#    0 AMB  20-2:817      0 AMB  20-1:817    3.00    (#    817:20  Double Ambig)
 &rst
  ixpk= 817, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 345, 398,
 igr2= 402, 403, 402, 403,
 &end
#
#   53 GLU  HN           53 GLU  HB+         3.00    (#    818:20  Unique         2.04, 2.94 A)
 &rst
  ixpk= 818, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 852, 853,
 &end
#
#    0 AMB  20-2:820      0 AMB  20-1:820    4.00    (#    820:20  Double Ambig)
 &rst
  ixpk= 820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=2169,1273,
 igr2=2179,2180,1283,1284,
 &end
#
#   45 LYS  HN           44 CYS  HB+         5.00    (#    821:20  Unique         2.61, 3.51 A)
 &rst
  ixpk= 821, nxpk= 20, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 716, 717,
 &end
#
#   24 GLU  HN           24 GLU  HB-         4.00    (#    823:20  Unique         2.40, 3.06 A)
 &rst
  ixpk= 823, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 387, 388,
 &end
#
#   80 LYS  HN           80 LYS  HD-         4.00    (#    824:20  Unique         2.45, 3.72 A)
 &rst
  ixpk= 824, nxpk= 20, iat=1273,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1283,1284,
 &end
#
#    0 AMB  20-2:825     44 CYS  HB-         5.00    (#    825:20  Single Ambig)
 &rst
  ixpk= 825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 723, 665,
 igr2= 716, 717,
 &end
#
#   24 GLU  HN           24 GLU  HB+         4.00    (#    826:20  Unique         2.40, 3.06 A)
 &rst
  ixpk= 826, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 387, 388,
 &end
#
#    0 AMB  20-2:827      0 AMB  20-1:827    4.00    (#    827:20  Double Ambig)
 &rst
  ixpk= 827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 813, 814, 801,
 igr2= 805, 806, 805, 806,
 &end
#
#   74 ASP  HN           80 LYS  HD+         6.00    (#    829:20  Unique         4.71, 6.18 A)
 &rst
  ixpk= 829, nxpk= 20, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1283,1284,
 &end
#
#   79 GLY  HN           80 LYS  HD+         6.00    (#    830:20  Unique         4.11, 5.29 A)
 &rst
  ixpk= 830, nxpk= 20, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1283,1284,
 &end
#
#  139 ARG  HN          139 ARG  HB-         5.00    (#    831:20  Unique         2.03, 2.62 A)
 &rst
  ixpk= 831, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2195,2196,
 &end
#
#   58 TYR  HN           59 GLN  HB+         5.00    (#    832:20  Unique         4.03, 4.87 A)
 &rst
  ixpk= 832, nxpk= 20, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 966, 967,
 &end
#
#   73 GLU  HN           73 GLU  HB-         5.00    (#    833:20  Unique         2.18, 2.92 A)
 &rst
  ixpk= 833, nxpk= 20, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1186,1187,
 &end
#
#   52 ASN  HD2+         50 GLN  HB+         6.00    (#    834:20  Unique         6.16, 7.01 A)
 &rst
  ixpk= 834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 843, 844,
 igr2= 805, 806,
 &end
#
#   34 ILE  HN           34 ILE  HG1+        6.00    (#    835:20  Unique         2.40, 3.47 A)
 &rst
  ixpk= 835, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 554, 555,
 &end
#
#    0 AMB  20-2:836      0 AMB  20-1:836    5.00    (#    836:20  Double Ambig)
 &rst
  ixpk= 836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 546, 527,
 igr2= 554, 555, 554, 555,
 &end
#
#    0 AMB  20-2:837      0 AMB  20-1:837    6.00    (#    837:20  Double Ambig)
 &rst
  ixpk= 837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1057, 563,
 igr2= 554, 555, 554, 555,
 &end
#
#  139 ARG  HN          139 ARG  HB-         6.00    (#    839:20  Unique         2.03, 2.62 A)
 &rst
  ixpk= 839, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2195,2196,
 &end
#
#  139 ARG  HN          139 ARG  HB+         5.00    (#    840:20  Unique         2.03, 2.62 A)
 &rst
  ixpk= 840, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2195,2196,
 &end
#
#    0 AMB  20-2:841     34 ILE  HG1-        5.00    (#    841:20  Single Ambig)
 &rst
  ixpk= 841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1057, 563,
 igr2= 554, 555,
 &end
#
#    0 AMB  20-2:842     34 ILE  HG1-        5.00    (#    842:20  Single Ambig)
 &rst
  ixpk= 842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 546, 527,
 igr2= 554, 555,
 &end
#
#   60 ASP  HN           59 GLN  HB+         5.00    (#    844:20  Unique         3.12, 4.19 A)
 &rst
  ixpk= 844, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 966, 967,
 &end
#
#   59 GLN  HN           59 GLN  HB+         4.00    (#    845:20  Unique         2.02, 2.83 A)
 &rst
  ixpk= 845, nxpk= 20, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 966, 967,
 &end
#
#   59 GLN  HN           59 GLN  HB-         4.00    (#    846:20  Unique         2.02, 2.83 A)
 &rst
  ixpk= 846, nxpk= 20, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 966, 967,
 &end
#
#   60 ASP  HN           59 GLN  HB-         5.00    (#    847:20  Unique         3.12, 4.19 A)
 &rst
  ixpk= 847, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 966, 967,
 &end
#
#   54 PHE  HE           33 LEU  HG          5.00    (#    848:20  Unique         1.97, 5.00 A)
 &rst
  ixpk= 848, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 873, 877,
 &end
#
#   33 LEU  HA           33 LEU  HG          5.00    (#    850:20  Unique         2.51, 3.31 A)
 &rst
  ixpk= 850, nxpk= 20, iat= 527, 532, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 ILE  HN           33 LEU  HG          5.00    (#    851:20  Unique         3.10, 3.94 A)
 &rst
  ixpk= 851, nxpk= 20, iat= 544, 532, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:852     33 LEU  HG          6.00    (#    852:20  Single Ambig)
 &rst
  ixpk= 852, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1057, 563,
 &end
#
#   81 ILE  HN           81 ILE  HG1+        5.00    (#    853:20  Unique         1.91, 3.00 A)
 &rst
  ixpk= 853, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1305,1306,
 &end
#
#    4 ARG  HN            4 ARG  HG-         5.00    (#    854:20  Unique         2.38, 3.42 A)
 &rst
  ixpk= 854, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  69,  70,
 &end
#
#    4 ARG  HN            4 ARG  HG+         5.00    (#    856:20  Unique         2.38, 3.42 A)
 &rst
  ixpk= 856, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  69,  70,
 &end
#
#  100 HIS  HN          100 HIS  HB-         5.00    (#    858:20  Unique         2.94, 3.78 A)
 &rst
  ixpk= 858, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1587,1588,
 &end
#
#  107 GLU  HN          107 GLU  HB+         5.00    (#    859:20  Unique         3.06, 3.57 A)
 &rst
  ixpk= 859, nxpk= 20, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1689,1690,
 &end
#
#    0 AMB  20-2:861      0 AMB  20-1:861    5.00    (#    861:20  Double Ambig)
 &rst
  ixpk= 861, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2285,1714,
 igr2= 501, 502,1689,1690,
 &end
#
#  105 ALA  HN          107 GLU  HB-         6.00    (#    862:20  Unique         5.25, 6.15 A)
 &rst
  ixpk= 862, nxpk= 20, iat=1655,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1689,1690,
 &end
#
#    0 AMB  20-2:863      0 AMB  20-1:863    6.00    (#    863:20  Double Ambig)
 &rst
  ixpk= 863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=2285,1714,
 igr2= 501, 502,1689,1690,
 &end
#
#  100 HIS  HN          100 HIS  HB+         6.00    (#    864:20  Unique         2.94, 3.78 A)
 &rst
  ixpk= 864, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1587,1588,
 &end
#
#   48 MET  HN           48 MET  HB+         4.00    (#    865:20  Unique         1.97, 2.64 A)
 &rst
  ixpk= 865, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 774, 775,
 &end
#
#   79 GLY  HN           78 PRO  HG+         5.00    (#    866:20  Unique         3.26, 4.10 A)
 &rst
  ixpk= 866, nxpk= 20, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1256,1257,
 &end
#
#    0 AMB  20-2:867      0 AMB  20-1:867    5.00    (#    867:20  Double Ambig)
 &rst
  ixpk= 867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1665, 511,
 igr2=1689,1690, 501, 502,
 &end
#
#    9 GLU  HN            8 PRO  HG-         5.00    (#    870:20  Unique         2.20, 3.06 A)
 &rst
  ixpk= 870, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 138, 139,
 &end
#
#    9 GLU  HN            8 PRO  HG+         5.00    (#    871:20  Unique         2.20, 3.06 A)
 &rst
  ixpk= 871, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 138, 139,
 &end
#
#    4 ARG  HN            3 LEU  HG          5.00    (#    872:20  Unique         4.98, 5.05 A)
 &rst
  ixpk= 872, nxpk= 20, iat=  62,  50, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 LEU  HN            3 LEU  HG          3.00    (#    873:20  Unique         2.10, 2.73 A)
 &rst
  ixpk= 873, nxpk= 20, iat=  43,  50, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   10 LEU  HN           10 LEU  HG          4.00    (#    874:20  Unique         1.96, 3.64 A)
 &rst
  ixpk= 874, nxpk= 20, iat= 163, 170, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  104 ASP  HN            8 PRO  HG+         6.00    (#    876:20  Unique         6.17, 6.97 A)
 &rst
  ixpk= 876, nxpk= 20, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 138, 139,
 &end
#
#    4 ARG  HN            4 ARG  HB-         6.00    (#    877:20  Unique         2.92, 3.76 A)
 &rst
  ixpk= 877, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  66,  67,
 &end
#
#    0 AMB  20-2:878      0 AMB  20-1:878    5.00    (#    878:20  Double Ambig)
 &rst
  ixpk= 878, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 359,  62,
 igr2= 170,1966,1967,
 &end
#
#  144 LEU  HN          144 LEU  HG          3.00    (#    879:20  Unique         2.05, 2.19 A)
 &rst
  ixpk= 879, nxpk= 20, iat=2285,2292, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   17 LEU  HN           17 LEU  HG          5.00    (#    880:20  Unique         2.25, 4.04 A)
 &rst
  ixpk= 880, nxpk= 20, iat= 274, 281, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 CYS  HN           43 LEU  HG          6.00    (#    881:20  Unique         4.26, 4.65 A)
 &rst
  ixpk= 881, nxpk= 20, iat= 712, 700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   64 VAL  HN           62 LEU  MDY         5.00    (#    882:20  Unique         3.35, 5.75 A)
 &rst
  ixpk= 882, nxpk= 20, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   58 TYR  HD           62 LEU  MDY         4.00    (#    883:20  Unique         2.06, 6.49 A)
 &rst
  ixpk= 883, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 949, 958,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#  141 ASN  HN          142 ARG  HG-         6.00    (#    884:20  Unique         5.83, 6.74 A)
 &rst
  ixpk= 884, nxpk= 20, iat=2231,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2252,2253,
 &end
#
#  142 ARG  HN            0 AMB  20-1:885    4.00    (#    885:20  Single Ambig)
 &rst
  ixpk= 885, nxpk= 20, iat=2245,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=2252,2253,2252,2253,
 &end
#
#    0 AMB  20-2:886    144 LEU  HG          5.00    (#    886:20  Single Ambig)
 &rst
  ixpk= 886, nxpk= 20, iat=  -1,2292, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2304,2314,
 &end
#
#    0 AMB  20-2:888    144 LEU  HG          6.00    (#    888:20  Single Ambig)
 &rst
  ixpk= 888, nxpk= 20, iat=  -1,2292, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2329,2343,
 &end
#
#   28 GLY  HN           27 ILE  HG1-        6.00    (#    889:20  Unique         4.12, 4.71 A)
 &rst
  ixpk= 889, nxpk= 20, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 444, 445,
 &end
#
#   27 ILE  HN           27 ILE  HG1-        4.00    (#    890:20  Unique         1.94, 2.23 A)
 &rst
  ixpk= 890, nxpk= 20, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 444, 445,
 &end
#
#   43 LEU  HN           43 LEU  HG          4.00    (#    891:20  Unique         1.92, 2.41 A)
 &rst
  ixpk= 891, nxpk= 20, iat= 693, 700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  106 PHE  HE            8 PRO  HG+         6.00    (#    892:20  Unique         1.99, 6.80 A)
 &rst
  ixpk= 892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1675,1679,
 igr2= 138, 139,
 &end
#
#   27 ILE  HN           27 ILE  HG1+        5.00    (#    893:20  Unique         1.94, 2.23 A)
 &rst
  ixpk= 893, nxpk= 20, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 444, 445,
 &end
#
#   33 LEU  HN           62 LEU  MDY         6.00    (#    894:20  Unique         2.97, 5.13 A)
 &rst
  ixpk= 894, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   54 PHE  HE           62 LEU  MDY         4.00    (#    895:20  Unique         1.99, 5.07 A)
 &rst
  ixpk= 895, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 873, 877,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#  143 VAL  HN            0 AMB  20-1:896    4.00    (#    896:20  Single Ambig)
 &rst
  ixpk= 896, nxpk= 20, iat=2269,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=2252,2253,2252,2253,
 &end
#
#   26 LEU  HN           26 LEU  MDY         5.00    (#    897:20  Unique         3.66, 4.86 A)
 &rst
  ixpk= 897, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   27 ILE  HN           26 LEU  MDY         6.00    (#    898:20  Unique         4.47, 5.87 A)
 &rst
  ixpk= 898, nxpk= 20, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   62 LEU  HN           62 LEU  MDY         5.00    (#    899:20  Unique         1.91, 4.58 A)
 &rst
  ixpk= 899, nxpk= 20, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   63 ASN  HN           62 LEU  MDY         5.00    (#    900:20  Unique         2.05, 4.49 A)
 &rst
  ixpk= 900, nxpk= 20, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   76 LEU  HN           76 LEU  HG          4.00    (#    901:20  Unique         2.92, 3.45 A)
 &rst
  ixpk= 901, nxpk= 20, iat=1221,1228, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   54 PHE  HE          136 LEU  HG          5.00    (#    902:20  Unique         2.63, 5.36 A)
 &rst
  ixpk= 902, nxpk= 20, iat=  -1,2142, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 873, 877,
 &end
#
#    0 AMB  20-2:903    102 LEU  HG          5.00    (#    903:20  Single Ambig)
 &rst
  ixpk= 903, nxpk= 20, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1675,1679,1673,1681,
 &end
#
#  136 LEU  HN          136 LEU  HG          5.00    (#    904:20  Unique         3.47, 4.28 A)
 &rst
  ixpk= 904, nxpk= 20, iat=2135,2142, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ASN  HN           62 LEU  HG          6.00    (#    906:20  Unique         2.36, 3.52 A)
 &rst
  ixpk= 906, nxpk= 20, iat=1027,1015, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 ILE  HN           90 ILE  HG1-        5.00    (#    907:20  Unique         1.87, 2.32 A)
 &rst
  ixpk= 907, nxpk= 20, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1439,1440,
 &end
#
#   54 PHE  HE          136 LEU  HG          6.00    (#    908:20  Unique         2.63, 5.36 A)
 &rst
  ixpk= 908, nxpk= 20, iat=  -1,2142, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 873, 877,
 &end
#
#   23 ARG  HN           10 LEU  MDX         5.00    (#    909:20  Unique         2.15, 5.06 A)
 &rst
  ixpk= 909, nxpk= 20, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   10 LEU  HN           10 LEU  MDX         5.00    (#    910:20  Unique         1.93, 4.02 A)
 &rst
  ixpk= 910, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   95 PHE  HE           10 LEU  MDX         5.00    (#    912:20  Unique         4.12, 7.59 A)
 &rst
  ixpk= 912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1522,1526,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   34 ILE  HN           33 LEU  MDX         6.00    (#    913:20  Unique         2.35, 4.65 A)
 &rst
  ixpk= 913, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#    0 AMB  20-2:915     33 LEU  MDX         5.00    (#    915:20  Single Ambig)
 &rst
  ixpk= 915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1057, 563,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  HA           33 LEU  MDX         5.00    (#    918:20  Unique         2.11, 3.86 A)
 &rst
  ixpk= 918, nxpk= 20, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   64 VAL  HA           33 LEU  MDX         6.00    (#    919:20  Unique         3.15, 5.24 A)
 &rst
  ixpk= 919, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#    4 ARG  HN          123 LEU  MDX         5.00    (#    920:20  Unique         2.29, 5.37 A)
 &rst
  ixpk= 920, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  123 LEU  HN          123 LEU  MDX         5.00    (#    921:20  Unique         3.82, 4.99 A)
 &rst
  ixpk= 921, nxpk= 20, iat=1940,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  117 PHE  HE          123 LEU  MDX         4.00    (#    922:20  Unique         1.96, 4.57 A)
 &rst
  ixpk= 922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1858,1862,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#   92 GLN  HN           92 GLN  HB-         5.00    (#    923:20  Unique         2.14, 2.93 A)
 &rst
  ixpk= 923, nxpk= 20, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1466,1467,
 &end
#
#   33 LEU  HN           33 LEU  MDX         5.00    (#    924:20  Unique         4.01, 5.41 A)
 &rst
  ixpk= 924, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#    5 GLN  HN          123 LEU  MDX         5.00    (#    926:20  Unique         2.18, 4.62 A)
 &rst
  ixpk= 926, nxpk= 20, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  144 LEU  HN          144 LEU  MDY         5.00    (#    927:20  Unique         3.44, 4.24 A)
 &rst
  ixpk= 927, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#   58 TYR  HE          144 LEU  MDY         5.00    (#    928:20  Unique         4.47, 7.81 A)
 &rst
  ixpk= 928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 951, 956,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#   26 LEU  HN           26 LEU  HG          5.00    (#    929:20  Unique         2.51, 3.41 A)
 &rst
  ixpk= 929, nxpk= 20, iat= 415, 422, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:932     33 LEU  MDX         6.00    (#    932:20  Single Ambig)
 &rst
  ixpk= 932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1057, 563,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  145 ALA  HN          144 LEU  MDY         5.00    (#    933:20  Unique         4.46, 5.69 A)
 &rst
  ixpk= 933, nxpk= 20, iat=2304,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#   61 GLN  HE2-        144 LEU  MDY         5.00    (#    934:20  Unique         4.94, 7.14 A)
 &rst
  ixpk= 934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1003,1004,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#  139 ARG  HN          139 ARG  HG+         4.00    (#    936:20  Unique         2.68, 4.02 A)
 &rst
  ixpk= 936, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2198,2199,
 &end
#
#   17 LEU  HN           17 LEU  MDX         5.00    (#    937:20  Unique         3.04, 4.70 A)
 &rst
  ixpk= 937, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#   82 LYS  HN           17 LEU  MDX         5.00    (#    938:20  Unique         2.74, 4.59 A)
 &rst
  ixpk= 938, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#  139 ARG  HN          136 LEU  MDY         5.00    (#    940:20  Unique         3.68, 5.73 A)
 &rst
  ixpk= 940, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#   76 LEU  HN           76 LEU  MDY         4.00    (#    941:20  Unique         2.67, 4.75 A)
 &rst
  ixpk= 941, nxpk= 20, iat=1221,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1230,1231,1232,1234,1235,1236,
 &end
#
#    0 AMB  20-2:942      0 AMB  20-1:942    6.00    (#    942:20  Double Ambig)
 &rst
  ixpk= 942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1209, 760,
 igr2=1230,1231,1232,1234,1235,1236, 702, 703, 704, 706,
       707, 708,
 &end
#
#   43 LEU  HN           43 LEU  MDY         5.00    (#    943:20  Unique         1.89, 3.90 A)
 &rst
  ixpk= 943, nxpk= 20, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#  136 LEU  HN          136 LEU  MDY         5.00    (#    946:20  Unique         3.51, 5.06 A)
 &rst
  ixpk= 946, nxpk= 20, iat=2135,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#   83 GLU  HN           80 LYS  HG-         6.00    (#    947:20  Unique         5.22, 5.99 A)
 &rst
  ixpk= 947, nxpk= 20, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1280,1281,
 &end
#
#   77 ASP  HN           76 LEU  MDY         5.00    (#    948:20  Unique         2.21, 5.03 A)
 &rst
  ixpk= 948, nxpk= 20, iat=1240,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1230,1231,1232,1234,1235,1236,
 &end
#
#    0 AMB  20-2:949      0 AMB  20-1:949    4.00    (#    949:20  Double Ambig)
 &rst
  ixpk= 949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 813, 814, 873, 877,
 igr2=2106,2107,2144,2145,2146,2148,2149,2150,
 &end
#
#   36 PHE  HN          113 ALA  MB          5.00    (#    950:20  Unique         2.49, 3.85 A)
 &rst
  ixpk= 950, nxpk= 20, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1784,1785,1786,
 &end
#
#   82 LYS  HN           82 LYS  HG+         5.00    (#    951:20  Unique         2.60, 4.08 A)
 &rst
  ixpk= 951, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1321,1322,
 &end
#
#    0 AMB  20-2:952      0 AMB  20-1:952    4.00    (#    952:20  Double Ambig)
 &rst
  ixpk= 952, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=2169,1273,
 igr2=2176,2177,1280,1281,
 &end
#
#    0 AMB  20-2:954      0 AMB  20-1:954    4.00    (#    954:20  Double Ambig)
 &rst
  ixpk= 954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=2169,1273,
 igr2=2176,2177,1280,1281,
 &end
#
#    4 ARG  HN            3 LEU  MDX         5.00    (#    955:20  Unique         3.92, 5.35 A)
 &rst
  ixpk= 955, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   75 ASP  HN           76 LEU  MDY         6.00    (#    956:20  Unique         4.35, 6.72 A)
 &rst
  ixpk= 956, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1230,1231,1232,1234,1235,1236,
 &end
#
#  114 TYR  HN          113 ALA  MB          4.00    (#    958:20  Unique         2.54, 3.55 A)
 &rst
  ixpk= 958, nxpk= 20, iat=1790,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1784,1785,1786,
 &end
#
#  113 ALA  HN          113 ALA  MB          4.00    (#    959:20  Unique         2.81, 3.47 A)
 &rst
  ixpk= 959, nxpk= 20, iat=1780,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1784,1785,1786,
 &end
#
#  126 PHE  HZ          113 ALA  MB          4.00    (#    960:20  Unique         3.31, 4.54 A)
 &rst
  ixpk= 960, nxpk= 20, iat=2012,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1784,1785,1786,
 &end
#
#  126 PHE  HE          113 ALA  MB          4.00    (#    961:20  Unique         1.95, 4.75 A)
 &rst
  ixpk= 961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2010,2014,
 igr2=1784,1785,1786,
 &end
#
#  115 TYR  HE          113 ALA  MB          4.00    (#    963:20  Unique         1.94, 5.01 A)
 &rst
  ixpk= 963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1821,1826,
 igr2=1784,1785,1786,
 &end
#
#   39 ILE  HN           39 ILE  HG1+        5.00    (#    965:20  Unique         2.13, 2.72 A)
 &rst
  ixpk= 965, nxpk= 20, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 645, 646,
 &end
#
#   34 ILE  HN           33 LEU  MDY         4.00    (#    966:20  Unique         2.35, 4.65 A)
 &rst
  ixpk= 966, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  HN           33 LEU  MDY         5.00    (#    967:20  Unique         4.01, 5.41 A)
 &rst
  ixpk= 967, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  115 TYR  HN           33 LEU  MDY         5.00    (#    968:20  Unique         2.45, 4.75 A)
 &rst
  ixpk= 968, nxpk= 20, iat=1811,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   54 PHE  HE           33 LEU  MDY         5.00    (#    969:20  Unique         1.90, 4.97 A)
 &rst
  ixpk= 969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 873, 877,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   35 HIS  HD2          33 LEU  MDY         5.00    (#    970:20  Unique         3.76, 6.07 A)
 &rst
  ixpk= 970, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  HA           33 LEU  MDY         4.00    (#    971:20  Unique         2.11, 3.86 A)
 &rst
  ixpk= 971, nxpk= 20, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  114 TYR  HA           33 LEU  MDY         5.00    (#    972:20  Unique         3.36, 5.16 A)
 &rst
  ixpk= 972, nxpk= 20, iat=1792,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  116 VAL  HA           33 LEU  MDY         5.00    (#    973:20  Unique         2.07, 4.62 A)
 &rst
  ixpk= 973, nxpk= 20, iat=1834,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#    3 LEU  HN            3 LEU  MDX         4.00    (#    974:20  Unique         1.92, 4.23 A)
 &rst
  ixpk= 974, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   40 SER  HN           39 ILE  HG1-        5.00    (#    976:20  Unique         2.85, 3.38 A)
 &rst
  ixpk= 976, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 645, 646,
 &end
#
#   35 HIS  HN           33 LEU  MDY         6.00    (#    977:20  Unique         3.25, 5.71 A)
 &rst
  ixpk= 977, nxpk= 20, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  114 TYR  HD           33 LEU  MDY         5.00    (#    978:20  Unique         1.98, 5.87 A)
 &rst
  ixpk= 978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1798,1807,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   35 HIS  HA           33 LEU  MDY         6.00    (#    979:20  Unique         3.83, 6.06 A)
 &rst
  ixpk= 979, nxpk= 20, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  113 ALA  HN            0 AMB  20-1:981    6.00    (#    981:20  Single Ambig)
 &rst
  ixpk= 981, nxpk= 20, iat=1780,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1770,1771,1770,1771,
 &end
#
#  129 GLY  HN            0 AMB  20-1:982    5.00    (#    982:20  Single Ambig)
 &rst
  ixpk= 982, nxpk= 20, iat=2047,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1770,1771,1770,1771,
 &end
#
#    3 LEU  HN            2 LYS  HG-         5.00    (#    983:20  Unique         2.49, 4.51 A)
 &rst
  ixpk= 983, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  28,  29,
 &end
#
#    2 LYS  HN            2 LYS  HG-         3.00    (#    984:20  Unique         2.21, 3.07 A)
 &rst
  ixpk= 984, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  28,  29,
 &end
#
#   57 LYS  HN           57 LYS  HG+         5.00    (#    985:20  Unique         2.79, 4.18 A)
 &rst
  ixpk= 985, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 926, 927,
 &end
#
#   30 LYS  HN           30 LYS  HG+         5.00    (#    986:20  Unique         2.21, 3.34 A)
 &rst
  ixpk= 986, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 482, 483,
 &end
#
#   58 TYR  HN           57 LYS  HG-         6.00    (#    987:20  Unique         4.21, 4.64 A)
 &rst
  ixpk= 987, nxpk= 20, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 926, 927,
 &end
#
#   15 ALA  HN           14 LYS  HG+         5.00    (#    988:20  Unique         1.93, 2.72 A)
 &rst
  ixpk= 988, nxpk= 20, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 225, 226,
 &end
#
#   57 LYS  HN           57 LYS  HG-         5.00    (#    989:20  Unique         2.79, 4.18 A)
 &rst
  ixpk= 989, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 926, 927,
 &end
#
#   58 TYR  HN           57 LYS  HG+         6.00    (#    990:20  Unique         4.21, 4.64 A)
 &rst
  ixpk= 990, nxpk= 20, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 926, 927,
 &end
#
#   61 GLN  HE2-        144 LEU  MDX         6.00    (#    991:20  Unique         4.94, 7.14 A)
 &rst
  ixpk= 991, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1003,1004,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#  144 LEU  HN          144 LEU  MDX         4.00    (#    992:20  Unique         3.44, 4.24 A)
 &rst
  ixpk= 992, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:993      0 AMB  20-1:993    4.00    (#    993:20  Double Ambig)
 &rst
  ixpk= 993, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=2215, 163,
 igr2=2221,2222,2223,2225,2226,2227,1619,1620,1621,1623,
      1624,1625,
 &end
#
#  116 VAL  HN          123 LEU  MDY         5.00    (#    994:20  Unique         2.90, 4.81 A)
 &rst
  ixpk= 994, nxpk= 20, iat=1832,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  124 ARG  HN          123 LEU  MDY         4.00    (#    997:20  Unique         1.91, 4.26 A)
 &rst
  ixpk= 997, nxpk= 20, iat=1959,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  125 HIS  HN          123 LEU  MDY         4.00    (#    998:20  Unique         1.95, 4.54 A)
 &rst
  ixpk= 998, nxpk= 20, iat=1983,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  117 PHE  HE          123 LEU  MDY         4.00    (#    999:20  Unique         1.96, 4.57 A)
 &rst
  ixpk= 999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1858,1862,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    0 AMB  20-2:1000   123 LEU  MDY         5.00    (#   1000:20  Single Ambig)
 &rst
  ixpk= 1000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1850,2002,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    0 AMB  20-2:1001   123 LEU  MDY         5.00    (#   1001:20  Single Ambig)
 &rst
  ixpk= 1001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1813,1834,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  119 LYS  HN          119 LYS  HG+         5.00    (#   1002:20  Unique         2.30, 2.89 A)
 &rst
  ixpk= 1002, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1887,1888,
 &end
#
#  119 LYS  HN          119 LYS  HG-         5.00    (#   1003:20  Unique         2.30, 2.89 A)
 &rst
  ixpk= 1003, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1887,1888,
 &end
#
#    0 AMB  20-2:1004   144 LEU  MDX         5.00    (#   1004:20  Single Ambig)
 &rst
  ixpk= 1004, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2304,2314,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#   61 GLN  HE2-        144 LEU  MDX         6.00    (#   1005:20  Unique         4.94, 7.14 A)
 &rst
  ixpk= 1005, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1003,1004,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:1006     0 AMB  20-1:1006   6.00    (#   1006:20  Double Ambig)
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1729,1685,
 igr2=1756,1757,1758,1760,1761,1762,1619,1620,1621,1623,
      1624,1625,
 &end
#
#   58 TYR  HD            0 AMB  20-1:1007   3.00    (#   1007:20  Single Ambig)
 &rst
  ixpk= 1007, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 949, 958,
 igr2=2221,2222,2223,2225,2226,2227,1017,1018,1019,1021,
      1022,1023,
 &end
#
#   54 PHE  HE            0 AMB  20-1:1008   3.00    (#   1008:20  Single Ambig)
 &rst
  ixpk= 1008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 873, 877,
 igr2=2221,2222,2223,2225,2226,2227,1017,1018,1019,1021,
      1022,1023,
 &end
#
#   54 PHE  HE          136 LEU  MDX         5.00    (#   1011:20  Unique         2.04, 5.58 A)
 &rst
  ixpk= 1011, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 873, 877,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#  126 PHE  HD          123 LEU  MDY         5.00    (#   1012:20  Unique         4.74, 6.60 A)
 &rst
  ixpk= 1012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2008,2016,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  123 LEU  HN          123 LEU  MDY         6.00    (#   1013:20  Unique         3.82, 4.99 A)
 &rst
  ixpk= 1013, nxpk= 20, iat=1940,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    0 AMB  20-2:1014   123 LEU  MDY         6.00    (#   1014:20  Single Ambig)
 &rst
  ixpk= 1014, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 117,1868,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#   33 LEU  HN           62 LEU  MDX         5.00    (#   1015:20  Unique         2.97, 5.13 A)
 &rst
  ixpk= 1015, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   32 THR  HA           62 LEU  MDX         5.00    (#   1016:20  Unique         2.43, 5.12 A)
 &rst
  ixpk= 1016, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   52 ASN  HN           51 VAL  MGY         5.00    (#   1018:20  Unique         2.04, 4.23 A)
 &rst
  ixpk= 1018, nxpk= 20, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 824, 825, 826, 828, 829, 830,
 &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= 5.10, r4= 5.60,
 igr1=1240, 818,
 igr2=1230,1231,1232,1234,1235,1236, 824, 825, 826, 828,
       829, 830,
 &end
#
#    0 AMB  20-2:1020     0 AMB  20-1:1020   4.00    (#   1020:20  Double Ambig)
 &rst
  ixpk= 1020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1209, 770, 801, 760,
 igr2=1230,1231,1232,1234,1235,1236, 824, 825, 826, 828,
       829, 830,
 &end
#
#   42 HIS  HD2          43 LEU  MDX         4.00    (#   1021:20  Unique         2.48, 4.96 A)
 &rst
  ixpk= 1021, nxpk= 20, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   46 GLU  HN           43 LEU  MDX         5.00    (#   1023:20  Unique         4.80, 6.73 A)
 &rst
  ixpk= 1023, nxpk= 20, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   63 ASN  HN           62 LEU  MDX         4.00    (#   1024:20  Unique         2.05, 4.49 A)
 &rst
  ixpk= 1024, nxpk= 20, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#  111 VAL  HN          111 VAL  MGX         5.00    (#   1025:20  Unique         2.38, 4.21 A)
 &rst
  ixpk= 1025, nxpk= 20, iat=1750,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#  110 TYR  HN          111 VAL  MGX         5.00    (#   1026:20  Unique         2.66, 5.28 A)
 &rst
  ixpk= 1026, nxpk= 20, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#  108 ASN  HD2-        111 VAL  MGX         4.00    (#   1027:20  Unique         1.95, 4.97 A)
 &rst
  ixpk= 1027, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1709,1710,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   37 TRP  HA          111 VAL  MGX         5.00    (#   1029:20  Unique         1.97, 3.91 A)
 &rst
  ixpk= 1029, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   10 LEU  HN           10 LEU  MDY         5.00    (#   1030:20  Unique         1.93, 4.02 A)
 &rst
  ixpk= 1030, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   11 THR  HN           10 LEU  MDY         5.00    (#   1031:20  Unique         4.00, 5.89 A)
 &rst
  ixpk= 1031, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   95 PHE  HE           10 LEU  MDY         5.00    (#   1032:20  Unique         4.12, 7.59 A)
 &rst
  ixpk= 1032, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1522,1526,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#  125 HIS  HD2         136 LEU  MDX         5.00    (#   1034:20  Unique         2.97, 6.53 A)
 &rst
  ixpk= 1034, nxpk= 20, iat=1996,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#   37 TRP  HN          111 VAL  MGX         6.00    (#   1037:20  Unique         2.61, 5.05 A)
 &rst
  ixpk= 1037, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   43 LEU  HN           43 LEU  MDX         5.00    (#   1038:20  Unique         1.89, 3.90 A)
 &rst
  ixpk= 1038, nxpk= 20, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   82 LYS  HN           17 LEU  MDY         5.00    (#   1039:20  Unique         2.74, 4.59 A)
 &rst
  ixpk= 1039, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#   35 HIS  HD2          64 VAL  MGY         4.00    (#   1041:20  Unique         3.57, 6.08 A)
 &rst
  ixpk= 1041, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  20-2:1043    64 VAL  MGY         5.00    (#   1043:20  Single Ambig)
 &rst
  ixpk= 1043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 546, 527,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   17 LEU  HN            0 AMB  20-1:1044   5.00    (#   1044:20  Single Ambig)
 &rst
  ixpk= 1044, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2= 283, 284, 285, 287, 288, 289,1538,1539,1540,1542,
      1543,1544,
 &end
#
#   92 GLN  HE2+         64 VAL  MGY         5.00    (#   1045:20  Unique         2.11, 5.49 A)
 &rst
  ixpk= 1045, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1474,1475,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   33 LEU  HN           64 VAL  MGY         5.00    (#   1046:20  Unique         4.27, 5.67 A)
 &rst
  ixpk= 1046, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   65 VAL  HN           64 VAL  MGY         4.00    (#   1047:20  Unique         2.24, 4.30 A)
 &rst
  ixpk= 1047, nxpk= 20, iat=1057,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   64 VAL  HN           64 VAL  MGY         5.00    (#   1048:20  Unique         2.07, 3.74 A)
 &rst
  ixpk= 1048, nxpk= 20, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   92 GLN  HE2-         64 VAL  MGY         5.00    (#   1049:20  Unique         2.11, 5.49 A)
 &rst
  ixpk= 1049, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1474,1475,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   55 ARG  HE           64 VAL  MGY         5.00    (#   1050:20  Unique         4.41, 6.22 A)
 &rst
  ixpk= 1050, nxpk= 20, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   64 VAL  HA           64 VAL  MGY         4.00    (#   1051:20  Unique         2.01, 3.15 A)
 &rst
  ixpk= 1051, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   34 ILE  HN           32 THR  MG2         6.00    (#   1053:20  Unique         3.53, 4.64 A)
 &rst
  ixpk= 1053, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 517, 518, 519,
 &end
#
#   33 LEU  HN           32 THR  MG2         4.00    (#   1054:20  Unique         1.96, 3.08 A)
 &rst
  ixpk= 1054, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 517, 518, 519,
 &end
#
#   32 THR  HG1          32 THR  MG2         5.00    (#   1055:20  Unique         2.51, 3.28 A)
 &rst
  ixpk= 1055, nxpk= 20, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 517, 518, 519,
 &end
#
#    0 AMB  20-2:1056    32 THR  MG2         5.00    (#   1056:20  Single Ambig)
 &rst
  ixpk= 1056, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 527, 546,
 igr2= 517, 518, 519,
 &end
#
#   32 THR  HA           32 THR  MG2         4.00    (#   1057:20  Unique         2.49, 3.34 A)
 &rst
  ixpk= 1057, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 517, 518, 519,
 &end
#
#    0 AMB  20-2:1058    32 THR  MG2         6.00    (#   1058:20  Single Ambig)
 &rst
  ixpk= 1058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1834,1029,
 igr2= 517, 518, 519,
 &end
#
#  142 ARG  HN          143 VAL  MGX         5.00    (#   1059:20  Unique         4.80, 6.10 A)
 &rst
  ixpk= 1059, nxpk= 20, iat=2245,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  143 VAL  HN          143 VAL  MGX         3.00    (#   1060:20  Unique         2.89, 3.96 A)
 &rst
  ixpk= 1060, nxpk= 20, iat=2269,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  144 LEU  HN          143 VAL  MGX         5.00    (#   1061:20  Unique         2.33, 4.55 A)
 &rst
  ixpk= 1061, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  111 VAL  HN          128 ALA  MB          6.00    (#   1062:20  Unique         3.87, 5.21 A)
 &rst
  ixpk= 1062, nxpk= 20, iat=1750,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=2041,2042,2043,
 &end
#
#  110 TYR  HE          128 ALA  MB          6.00    (#   1063:20  Unique         5.60, 7.23 A)
 &rst
  ixpk= 1063, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1739,1744,
 igr2=2041,2042,2043,
 &end
#
#  114 TYR  HN          128 ALA  MB          5.00    (#   1064:20  Unique         2.58, 4.08 A)
 &rst
  ixpk= 1064, nxpk= 20, iat=1790,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=2041,2042,2043,
 &end
#
#  128 ALA  HN          128 ALA  MB          4.00    (#   1065:20  Unique         2.51, 3.24 A)
 &rst
  ixpk= 1065, nxpk= 20, iat=2037,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=2041,2042,2043,
 &end
#
#  129 GLY  HN          128 ALA  MB          4.00    (#   1066:20  Unique         3.04, 3.87 A)
 &rst
  ixpk= 1066, nxpk= 20, iat=2047,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=2041,2042,2043,
 &end
#
#  126 PHE  HZ          128 ALA  MB          4.00    (#   1067:20  Unique         2.14, 3.57 A)
 &rst
  ixpk= 1067, nxpk= 20, iat=2012,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=2041,2042,2043,
 &end
#
#  126 PHE  HE          128 ALA  MB          4.00    (#   1068:20  Unique         1.98, 4.25 A)
 &rst
  ixpk= 1068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2010,2014,
 igr2=2041,2042,2043,
 &end
#
#    0 AMB  20-2:1069   120 THR  MG2         4.00    (#   1069:20  Single Ambig)
 &rst
  ixpk= 1069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1916,1868,
 igr2=1908,1909,1910,
 &end
#
#  104 ASP  HN          103 THR  MG2         5.00    (#   1070:20  Unique         3.98, 5.01 A)
 &rst
  ixpk= 1070, nxpk= 20, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1635,1636,1637,
 &end
#
#  124 ARG  HN            3 LEU  MDY         5.00    (#   1077:20  Unique         3.87, 6.53 A)
 &rst
  ixpk= 1077, nxpk= 20, iat=1959,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   85 ALA  HN           84 THR  MG2         5.00    (#   1078:20  Unique         2.95, 3.91 A)
 &rst
  ixpk= 1078, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1357,1358,1359,
 &end
#
#   84 THR  HN           84 THR  MG2         5.00    (#   1079:20  Unique         3.79, 4.33 A)
 &rst
  ixpk= 1079, nxpk= 20, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1357,1358,1359,
 &end
#
#   40 SER  HN           84 THR  MG2         6.00    (#   1080:20  Unique         6.40, 7.42 A)
 &rst
  ixpk= 1080, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1357,1358,1359,
 &end
#
#   88 HIS  HE1          84 THR  MG2         4.00    (#   1082:20  Unique         2.33, 4.24 A)
 &rst
  ixpk= 1082, nxpk= 20, iat=1410,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1357,1358,1359,
 &end
#
#   37 TRP  HZ3          84 THR  MG2         4.00    (#   1083:20  Unique         2.42, 4.06 A)
 &rst
  ixpk= 1083, nxpk= 20, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1357,1358,1359,
 &end
#
#   88 HIS  HD2          84 THR  MG2         4.00    (#   1084:20  Unique         1.97, 3.27 A)
 &rst
  ixpk= 1084, nxpk= 20, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1357,1358,1359,
 &end
#
#   92 GLN  HE2-         66 ALA  MB          6.00    (#   1085:20  Unique         1.84, 3.29 A)
 &rst
  ixpk= 1085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1474,1475,
 igr2=1077,1078,1079,
 &end
#
#  102 LEU  HN          103 THR  MG2         6.00    (#   1086:20  Unique         3.81, 6.26 A)
 &rst
  ixpk= 1086, nxpk= 20, iat=1610,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1635,1636,1637,
 &end
#
#  103 THR  HN          103 THR  MG2         5.00    (#   1087:20  Unique         1.88, 3.85 A)
 &rst
  ixpk= 1087, nxpk= 20, iat=1629,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1635,1636,1637,
 &end
#
#  108 ASN  HN          103 THR  MG2         4.00    (#   1088:20  Unique         2.03, 3.64 A)
 &rst
  ixpk= 1088, nxpk= 20, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1635,1636,1637,
 &end
#
#    4 ARG  HN            3 LEU  MDY         5.00    (#   1092:20  Unique         3.92, 5.35 A)
 &rst
  ixpk= 1092, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    3 LEU  HN            3 LEU  MDY         4.00    (#   1093:20  Unique         1.92, 4.23 A)
 &rst
  ixpk= 1093, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    5 GLN  HN            3 LEU  MDY         5.00    (#   1094:20  Unique         4.83, 6.90 A)
 &rst
  ixpk= 1094, nxpk= 20, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#  125 HIS  HN            3 LEU  MDY         5.00    (#   1095:20  Unique         3.22, 5.96 A)
 &rst
  ixpk= 1095, nxpk= 20, iat=1983,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#  126 PHE  HN            3 LEU  MDY         5.00    (#   1096:20  Unique         3.13, 5.68 A)
 &rst
  ixpk= 1096, nxpk= 20, iat=2000,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   87 GLU  HN           84 THR  MG2         5.00    (#   1097:20  Unique         4.86, 5.71 A)
 &rst
  ixpk= 1097, nxpk= 20, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1357,1358,1359,
 &end
#
#   92 GLN  HE2+         66 ALA  MB          5.00    (#   1098:20  Unique         1.84, 3.29 A)
 &rst
  ixpk= 1098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1474,1475,
 igr2=1077,1078,1079,
 &end
#
#   95 PHE  HN           66 ALA  MB          6.00    (#   1099:20  Unique         3.21, 4.72 A)
 &rst
  ixpk= 1099, nxpk= 20, iat=1512,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1077,1078,1079,
 &end
#
#   66 ALA  HN           66 ALA  MB          3.00    (#   1100:20  Unique         2.12, 2.98 A)
 &rst
  ixpk= 1100, nxpk= 20, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1077,1078,1079,
 &end
#
#   37 TRP  HZ2          66 ALA  MB          4.00    (#   1101:20  Unique         1.94, 3.23 A)
 &rst
  ixpk= 1101, nxpk= 20, iat= 613,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1077,1078,1079,
 &end
#
#   94 ILE  HA           66 ALA  MB          4.00    (#   1105:20  Unique         2.00, 3.63 A)
 &rst
  ixpk= 1105, nxpk= 20, iat=1495,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1077,1078,1079,
 &end
#
#  120 THR  HN          120 THR  MG2         4.00    (#   1106:20  Unique         1.95, 2.91 A)
 &rst
  ixpk= 1106, nxpk= 20, iat=1902,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1908,1909,1910,
 &end
#
#    0 AMB  20-2:1107    65 VAL  MGX         3.00    (#   1107:20  Single Ambig)
 &rst
  ixpk= 1107, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1057,1073,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   33 LEU  HN           64 VAL  MGX         5.00    (#   1108:20  Unique         4.27, 5.67 A)
 &rst
  ixpk= 1108, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   65 VAL  HN           64 VAL  MGX         4.00    (#   1109:20  Unique         2.24, 4.30 A)
 &rst
  ixpk= 1109, nxpk= 20, iat=1057,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   64 VAL  HN           64 VAL  MGX         4.00    (#   1110:20  Unique         2.07, 3.74 A)
 &rst
  ixpk= 1110, nxpk= 20, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   64 VAL  HA           64 VAL  MGX         4.00    (#   1111:20  Unique         2.01, 3.15 A)
 &rst
  ixpk= 1111, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   63 ASN  HA           64 VAL  MGX         6.00    (#   1112:20  Unique         3.27, 5.34 A)
 &rst
  ixpk= 1112, nxpk= 20, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   34 ILE  HA           65 VAL  MGX         6.00    (#   1114:20  Unique         1.89, 3.72 A)
 &rst
  ixpk= 1114, nxpk= 20, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   64 VAL  HA           65 VAL  MGX         5.00    (#   1115:20  Unique         3.08, 5.18 A)
 &rst
  ixpk= 1115, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   32 THR  HG1          26 LEU  MDX         5.00    (#   1116:20  Unique         2.06, 4.32 A)
 &rst
  ixpk= 1116, nxpk= 20, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   36 PHE  HE           67 VAL  MGY         4.00    (#   1117:20  Unique         1.98, 4.43 A)
 &rst
  ixpk= 1117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 590, 594,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#    0 AMB  20-2:1118   120 THR  MG2         5.00    (#   1118:20  Single Ambig)
 &rst
  ixpk= 1118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1916,1868,
 igr2=1908,1909,1910,
 &end
#
#   55 ARG  HE           64 VAL  MGX         6.00    (#   1119:20  Unique         4.41, 6.22 A)
 &rst
  ixpk= 1119, nxpk= 20, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   32 THR  HA           26 LEU  MDX         6.00    (#   1120:20  Unique         3.06, 5.20 A)
 &rst
  ixpk= 1120, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   26 LEU  HN           26 LEU  MDX         5.00    (#   1121:20  Unique         3.66, 4.86 A)
 &rst
  ixpk= 1121, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:1122    26 LEU  MDX         5.00    (#   1122:20  Single Ambig)
 &rst
  ixpk= 1122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 345, 398,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   63 ASN  HD2-         26 LEU  MDX         4.00    (#   1123:20  Unique         3.29, 6.55 A)
 &rst
  ixpk= 1123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1036,1037,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   63 ASN  HD2+         26 LEU  MDX         5.00    (#   1124:20  Unique         3.29, 6.55 A)
 &rst
  ixpk= 1124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1036,1037,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   63 ASN  HA           26 LEU  MDX         5.00    (#   1125:20  Unique         4.52, 6.89 A)
 &rst
  ixpk= 1125, nxpk= 20, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   67 VAL  HN           67 VAL  MGY         5.00    (#   1126:20  Unique         1.94, 4.05 A)
 &rst
  ixpk= 1126, nxpk= 20, iat=1083,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   95 PHE  HN           67 VAL  MGY         5.00    (#   1128:20  Unique         3.21, 5.09 A)
 &rst
  ixpk= 1128, nxpk= 20, iat=1512,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#    0 AMB  20-2:1129    67 VAL  MGY         5.00    (#   1129:20  Single Ambig)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1099, 563,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   95 PHE  HE           67 VAL  MGY         5.00    (#   1130:20  Unique         2.00, 6.28 A)
 &rst
  ixpk= 1130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1522,1526,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   36 PHE  HA           67 VAL  MGY         5.00    (#   1133:20  Unique         2.00, 4.48 A)
 &rst
  ixpk= 1133, nxpk= 20, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   92 GLN  HN           91 THR  MG2         5.00    (#   1134:20  Unique         3.75, 4.61 A)
 &rst
  ixpk= 1134, nxpk= 20, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1454,1455,1456,
 &end
#
#    0 AMB  20-2:1135     0 AMB  20-1:1135   5.00    (#   1135:20  Double Ambig)
 &rst
  ixpk= 1135, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1008,1417,
 igr2=1047,1048,1049,1051,1052,1053,1454,1455,1456,
 &end
#
#    0 AMB  20-2:1136    91 THR  MG2         4.00    (#   1136:20  Single Ambig)
 &rst
  ixpk= 1136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 302, 303, 848,
 igr2=1454,1455,1456,
 &end
#
#  125 HIS  HD2         116 VAL  MGX         5.00    (#   1137:20  Unique         3.24, 5.33 A)
 &rst
  ixpk= 1137, nxpk= 20, iat=1996,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#    0 AMB  20-2:1139    21 VAL  MGX         5.00    (#   1139:20  Single Ambig)
 &rst
  ixpk= 1139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 410, 411, 314,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   22 THR  HN           21 VAL  MGX         4.00    (#   1140:20  Unique         1.94, 3.92 A)
 &rst
  ixpk= 1140, nxpk= 20, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   64 VAL  HN           26 LEU  MDX         5.00    (#   1143:20  Unique         4.25, 6.80 A)
 &rst
  ixpk= 1143, nxpk= 20, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:1144    26 LEU  MDX         5.00    (#   1144:20  Single Ambig)
 &rst
  ixpk= 1144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1057,1027,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:1145   147 THR  MG2         5.00    (#   1145:20  Single Ambig)
 &rst
  ixpk= 1145, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2314,2304,
 igr2=2335,2336,2337,
 &end
#
#   23 ARG  HN           22 THR  MG2         5.00    (#   1146:20  Unique         1.97, 3.73 A)
 &rst
  ixpk= 1146, nxpk= 20, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 351, 352, 353,
 &end
#
#   82 LYS  HN           15 ALA  MB          5.00    (#   1147:20  Unique         5.50, 6.11 A)
 &rst
  ixpk= 1147, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 244, 245, 246,
 &end
#
#   91 THR  HN           91 THR  MG2         4.00    (#   1149:20  Unique         1.91, 2.99 A)
 &rst
  ixpk= 1149, nxpk= 20, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1454,1455,1456,
 &end
#
#   18 ASN  HD2-         91 THR  MG2         6.00    (#   1150:20  Unique         4.33, 5.69 A)
 &rst
  ixpk= 1150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 302, 303,
 igr2=1454,1455,1456,
 &end
#
#  119 LYS  HN          143 VAL  MGY         5.00    (#   1151:20  Unique         3.90, 5.96 A)
 &rst
  ixpk= 1151, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  118 ASP  HN          143 VAL  MGY         5.00    (#   1152:20  Unique         3.72, 5.41 A)
 &rst
  ixpk= 1152, nxpk= 20, iat=1868,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  144 LEU  HN          143 VAL  MGY         5.00    (#   1153:20  Unique         2.33, 4.55 A)
 &rst
  ixpk= 1153, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  116 VAL  HN          116 VAL  MGX         4.00    (#   1154:20  Unique         2.40, 4.04 A)
 &rst
  ixpk= 1154, nxpk= 20, iat=1832,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#    0 AMB  20-2:1155   116 VAL  MGX         6.00    (#   1155:20  Single Ambig)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2215,1868,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#  125 HIS  HN          116 VAL  MGX         5.00    (#   1156:20  Unique         1.89, 4.80 A)
 &rst
  ixpk= 1156, nxpk= 20, iat=1983,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#   33 LEU  HA          116 VAL  MGX         5.00    (#   1157:20  Unique         3.64, 5.19 A)
 &rst
  ixpk= 1157, nxpk= 20, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#    0 AMB  20-2:1158     0 AMB  20-1:1158   4.00    (#   1158:20  Double Ambig)
 &rst
  ixpk= 1158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1834,1813,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#    0 AMB  20-2:1159   147 THR  MG2         4.00    (#   1159:20  Single Ambig)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2343,2329,
 igr2=2335,2336,2337,
 &end
#
#   22 THR  HN           22 THR  MG2         4.00    (#   1161:20  Unique         3.47, 4.40 A)
 &rst
  ixpk= 1161, nxpk= 20, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 351, 352, 353,
 &end
#
#   33 LEU  HA            0 AMB  20-1:1162   5.00    (#   1162:20  Single Ambig)
 &rst
  ixpk= 1162, nxpk= 20, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#   17 LEU  HN           96 VAL  MGY         5.00    (#   1163:20  Unique         3.82, 6.45 A)
 &rst
  ixpk= 1163, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   68 HIS  HN           96 VAL  MGY         5.00    (#   1164:20  Unique         2.63, 5.01 A)
 &rst
  ixpk= 1164, nxpk= 20, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   96 VAL  HN           96 VAL  MGY         4.00    (#   1165:20  Unique         1.95, 3.86 A)
 &rst
  ixpk= 1165, nxpk= 20, iat=1532,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   25 GLN  HE2+         21 VAL  MGX         6.00    (#   1166:20  Unique         2.85, 5.88 A)
 &rst
  ixpk= 1166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 410, 411,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#  100 HIS  HD2          96 VAL  MGY         5.00    (#   1167:20  Unique         5.08, 7.17 A)
 &rst
  ixpk= 1167, nxpk= 20, iat=1596,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#  118 ASP  HN          116 VAL  MGY         5.00    (#   1169:20  Unique         4.19, 6.62 A)
 &rst
  ixpk= 1169, nxpk= 20, iat=1868,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#  125 HIS  HN          116 VAL  MGY         5.00    (#   1170:20  Unique         1.89, 4.80 A)
 &rst
  ixpk= 1170, nxpk= 20, iat=1983,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#  140 VAL  HN          140 VAL  MGY         4.00    (#   1171:20  Unique         2.18, 3.92 A)
 &rst
  ixpk= 1171, nxpk= 20, iat=2215,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#  141 ASN  HN          140 VAL  MGY         5.00    (#   1172:20  Unique         2.07, 4.34 A)
 &rst
  ixpk= 1172, nxpk= 20, iat=2231,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#  144 LEU  HN          140 VAL  MGY         5.00    (#   1173:20  Unique         4.07, 6.28 A)
 &rst
  ixpk= 1173, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#   58 TYR  HD          140 VAL  MGY         5.00    (#   1174:20  Unique         1.98, 6.59 A)
 &rst
  ixpk= 1174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 949, 958,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#   54 PHE  HE          140 VAL  MGY         5.00    (#   1175:20  Unique         1.97, 4.73 A)
 &rst
  ixpk= 1175, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 873, 877,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#  117 PHE  HN          116 VAL  MGY         4.00    (#   1179:20  Unique         2.18, 4.09 A)
 &rst
  ixpk= 1179, nxpk= 20, iat=1848,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#    0 AMB  20-2:1180   116 VAL  MGY         4.00    (#   1180:20  Single Ambig)
 &rst
  ixpk= 1180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1834,1813,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#  144 LEU  HN          116 VAL  MGY         5.00    (#   1181:20  Unique         5.28, 7.13 A)
 &rst
  ixpk= 1181, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#  118 ASP  HN          116 VAL  MGY         5.00    (#   1182:20  Unique         4.19, 6.62 A)
 &rst
  ixpk= 1182, nxpk= 20, iat=1868,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#   22 THR  HN           21 VAL  MGY         5.00    (#   1187:20  Unique         1.94, 3.92 A)
 &rst
  ixpk= 1187, nxpk= 20, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   10 LEU  HN           11 THR  MG2         5.00    (#   1189:20  Unique         3.23, 5.23 A)
 &rst
  ixpk= 1189, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 188, 189, 190,
 &end
#
#   95 PHE  HN           65 VAL  MGY         6.00    (#   1191:20  Unique         3.24, 6.03 A)
 &rst
  ixpk= 1191, nxpk= 20, iat=1512,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   66 ALA  HN           65 VAL  MGY         4.00    (#   1192:20  Unique         2.15, 4.57 A)
 &rst
  ixpk= 1192, nxpk= 20, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   34 ILE  HA           65 VAL  MGY         6.00    (#   1194:20  Unique         1.89, 3.72 A)
 &rst
  ixpk= 1194, nxpk= 20, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   11 THR  HN           11 THR  MG2         5.00    (#   1195:20  Unique         1.92, 3.01 A)
 &rst
  ixpk= 1195, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 188, 189, 190,
 &end
#
#   11 THR  HA           11 THR  MG2         4.00    (#   1196:20  Unique         3.57, 3.94 A)
 &rst
  ixpk= 1196, nxpk= 20, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 188, 189, 190,
 &end
#
#   46 GLU  HN           47 ALA  MB          5.00    (#   1198:20  Unique         4.14, 5.22 A)
 &rst
  ixpk= 1198, nxpk= 20, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 764, 765, 766,
 &end
#
#   85 ALA  HN           39 ILE  QG2         6.00    (#   1199:20  Unique         4.51, 5.75 A)
 &rst
  ixpk= 1199, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 641, 642, 643,
 &end
#
#   52 ASN  HN           51 VAL  MGX         5.00    (#   1200:20  Unique         2.04, 4.23 A)
 &rst
  ixpk= 1200, nxpk= 20, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#   92 GLN  HE2+         51 VAL  MGX         5.00    (#   1201:20  Unique         1.93, 3.80 A)
 &rst
  ixpk= 1201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1474,1475,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#   47 ALA  HN           47 ALA  MB          3.00    (#   1202:20  Unique         2.03, 2.85 A)
 &rst
  ixpk= 1202, nxpk= 20, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 764, 765, 766,
 &end
#
#   51 VAL  HN           51 VAL  MGX         4.00    (#   1203:20  Unique         2.76, 3.96 A)
 &rst
  ixpk= 1203, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#   37 TRP  HD1          51 VAL  MGX         5.00    (#   1204:20  Unique         3.76, 6.24 A)
 &rst
  ixpk= 1204, nxpk= 20, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#   92 GLN  HE2-         51 VAL  MGX         5.00    (#   1205:20  Unique         1.93, 3.80 A)
 &rst
  ixpk= 1205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1474,1475,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#   37 TRP  HZ3          51 VAL  MGX         6.00    (#   1206:20  Unique         5.98, 7.73 A)
 &rst
  ixpk= 1206, nxpk= 20, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#   35 HIS  HD2          51 VAL  MGX         5.00    (#   1207:20  Unique         3.27, 5.27 A)
 &rst
  ixpk= 1207, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#    0 AMB  20-2:1209     0 AMB  20-1:1209   5.00    (#   1209:20  Double Ambig)
 &rst
  ixpk= 1209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 196, 834,1665,
 igr2=1604,1605,1606, 764, 765, 766,
 &end
#
#   85 ALA  HN           39 ILE  QG2         5.00    (#   1210:20  Unique         4.51, 5.75 A)
 &rst
  ixpk= 1210, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 641, 642, 643,
 &end
#
#   84 THR  HN           39 ILE  QG2         6.00    (#   1211:20  Unique         5.09, 6.23 A)
 &rst
  ixpk= 1211, nxpk= 20, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 641, 642, 643,
 &end
#
#   37 TRP  HZ3          39 ILE  QG2         4.00    (#   1212:20  Unique         2.51, 3.85 A)
 &rst
  ixpk= 1212, nxpk= 20, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 641, 642, 643,
 &end
#
#   88 HIS  HD2          39 ILE  QG2         5.00    (#   1213:20  Unique         3.84, 5.02 A)
 &rst
  ixpk= 1213, nxpk= 20, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 641, 642, 643,
 &end
#
#  102 LEU  HN          101 ALA  MB          4.00    (#   1214:20  Unique         1.99, 3.51 A)
 &rst
  ixpk= 1214, nxpk= 20, iat=1610,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1604,1605,1606,
 &end
#
#    0 AMB  20-2:1215   101 ALA  MB          5.00    (#   1215:20  Single Ambig)
 &rst
  ixpk= 1215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 148,1583,
 igr2=1604,1605,1606,
 &end
#
#  101 ALA  HN          101 ALA  MB          3.00    (#   1216:20  Unique         1.99, 2.80 A)
 &rst
  ixpk= 1216, nxpk= 20, iat=1600,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1604,1605,1606,
 &end
#
#   39 ILE  HN           39 ILE  QG2         4.00    (#   1217:20  Unique         1.92, 2.98 A)
 &rst
  ixpk= 1217, nxpk= 20, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 641, 642, 643,
 &end
#
#   40 SER  HN           39 ILE  QG2         5.00    (#   1218:20  Unique         4.40, 5.05 A)
 &rst
  ixpk= 1218, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 641, 642, 643,
 &end
#
#   95 PHE  HN           67 VAL  MGX         5.00    (#   1220:20  Unique         3.21, 5.09 A)
 &rst
  ixpk= 1220, nxpk= 20, iat=1512,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#    0 AMB  20-2:1221    67 VAL  MGX         5.00    (#   1221:20  Single Ambig)
 &rst
  ixpk= 1221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1099, 563,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   67 VAL  HN           67 VAL  MGX         5.00    (#   1222:20  Unique         1.94, 4.05 A)
 &rst
  ixpk= 1222, nxpk= 20, iat=1083,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   95 PHE  HE           67 VAL  MGX         5.00    (#   1223:20  Unique         2.00, 6.28 A)
 &rst
  ixpk= 1223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1522,1526,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   36 PHE  HA           67 VAL  MGX         5.00    (#   1224:20  Unique         2.00, 4.48 A)
 &rst
  ixpk= 1224, nxpk= 20, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#    0 AMB  20-2:1230   145 ALA  MB          3.00    (#   1230:20  Single Ambig)
 &rst
  ixpk= 1230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2304,2314,
 igr2=2308,2309,2310,
 &end
#
#   17 LEU  HN           94 ILE  QG2         6.00    (#   1231:20  Unique         3.76, 5.04 A)
 &rst
  ixpk= 1231, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1499,1500,1501,
 &end
#
#   94 ILE  HN           94 ILE  QG2         6.00    (#   1232:20  Unique         4.09, 4.57 A)
 &rst
  ixpk= 1232, nxpk= 20, iat=1493,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1499,1500,1501,
 &end
#
#   95 PHE  HN           94 ILE  QG2         5.00    (#   1233:20  Unique         2.57, 3.74 A)
 &rst
  ixpk= 1233, nxpk= 20, iat=1512,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1499,1500,1501,
 &end
#
#   68 HIS  HN           94 ILE  QG2         5.00    (#   1234:20  Unique         3.05, 4.07 A)
 &rst
  ixpk= 1234, nxpk= 20, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1499,1500,1501,
 &end
#
#   94 ILE  HA           94 ILE  QG2         4.00    (#   1235:20  Unique         2.22, 3.08 A)
 &rst
  ixpk= 1235, nxpk= 20, iat=1495,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1499,1500,1501,
 &end
#
#  144 LEU  HN          145 ALA  MB          5.00    (#   1236:20  Unique         4.26, 5.23 A)
 &rst
  ixpk= 1236, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=2308,2309,2310,
 &end
#
#   37 TRP  HZ2          94 ILE  QG2         4.00    (#   1240:20  Unique         1.91, 3.52 A)
 &rst
  ixpk= 1240, nxpk= 20, iat= 613,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1499,1500,1501,
 &end
#
#  106 PHE  HN          105 ALA  MB          4.00    (#   1241:20  Unique         2.24, 3.41 A)
 &rst
  ixpk= 1241, nxpk= 20, iat=1665,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1659,1660,1661,
 &end
#
#  105 ALA  HN          105 ALA  MB          3.00    (#   1242:20  Unique         2.12, 2.95 A)
 &rst
  ixpk= 1242, nxpk= 20, iat=1655,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1659,1660,1661,
 &end
#
#  106 PHE  HD          105 ALA  MB          5.00    (#   1243:20  Unique         2.13, 6.02 A)
 &rst
  ixpk= 1243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1673,1681,
 igr2=1659,1660,1661,
 &end
#
#  111 VAL  HN          111 VAL  MGY         4.00    (#   1245:20  Unique         2.38, 4.21 A)
 &rst
  ixpk= 1245, nxpk= 20, iat=1750,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   37 TRP  HA          111 VAL  MGY         6.00    (#   1246:20  Unique         1.97, 3.91 A)
 &rst
  ixpk= 1246, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   85 ALA  HN           85 ALA  MB          4.00    (#   1247:20  Unique         2.04, 2.84 A)
 &rst
  ixpk= 1247, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1369,1370,1371,
 &end
#
#  111 VAL  HN           69 MET  ME          6.00    (#   1248:20  Unique         2.01, 5.98 A)
 &rst
  ixpk= 1248, nxpk= 20, iat=1750,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1127,1128,1129,
 &end
#
#   88 HIS  HD2          85 ALA  MB          4.00    (#   1249:20  Unique         3.36, 4.81 A)
 &rst
  ixpk= 1249, nxpk= 20, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1369,1370,1371,
 &end
#
#   90 ILE  HN           85 ALA  MB          5.00    (#   1250:20  Unique         3.66, 5.66 A)
 &rst
  ixpk= 1250, nxpk= 20, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1369,1370,1371,
 &end
#
#   84 THR  HN           85 ALA  MB          5.00    (#   1251:20  Unique         4.66, 5.56 A)
 &rst
  ixpk= 1251, nxpk= 20, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1369,1370,1371,
 &end
#
#   86 ALA  HN           85 ALA  MB          3.00    (#   1252:20  Unique         2.32, 3.56 A)
 &rst
  ixpk= 1252, nxpk= 20, iat=1375,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1369,1370,1371,
 &end
#
#   18 ASN  HD2-         85 ALA  MB          6.00    (#   1253:20  Unique         3.82, 5.92 A)
 &rst
  ixpk= 1253, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 302, 303,
 igr2=1369,1370,1371,
 &end
#
#  108 ASN  HD2-         69 MET  ME          5.00    (#   1254:20  Unique         1.90, 3.30 A)
 &rst
  ixpk= 1254, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1709,1710,
 igr2=1127,1128,1129,
 &end
#
#   83 GLU  HN           86 ALA  MB          5.00    (#   1256:20  Unique         4.51, 5.25 A)
 &rst
  ixpk= 1256, nxpk= 20, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1379,1380,1381,
 &end
#
#    0 AMB  20-2:1257   133 MET  ME          6.00    (#   1257:20  Single Ambig)
 &rst
  ixpk= 1257, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 818,2169,
 igr2=2090,2091,2092,
 &end
#
#    0 AMB  20-2:1258   133 MET  ME          5.00    (#   1258:20  Single Ambig)
 &rst
  ixpk= 1258, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2135, 813, 814,
 igr2=2090,2091,2092,
 &end
#
#   54 PHE  HE          133 MET  ME          5.00    (#   1259:20  Unique         2.37, 4.91 A)
 &rst
  ixpk= 1259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 873, 877,
 igr2=2090,2091,2092,
 &end
#
#   58 TYR  HE          133 MET  ME          6.00    (#   1261:20  Unique         5.04, 7.97 A)
 &rst
  ixpk= 1261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 951, 956,
 igr2=2090,2091,2092,
 &end
#
#   69 MET  HN           69 MET  ME          6.00    (#   1262:20  Unique         5.86, 6.60 A)
 &rst
  ixpk= 1262, nxpk= 20, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1127,1128,1129,
 &end
#
#   88 HIS  HN           86 ALA  MB          5.00    (#   1265:20  Unique         4.83, 5.52 A)
 &rst
  ixpk= 1265, nxpk= 20, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1379,1380,1381,
 &end
#
#   85 ALA  HN           86 ALA  MB          5.00    (#   1266:20  Unique         4.31, 5.13 A)
 &rst
  ixpk= 1266, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1379,1380,1381,
 &end
#
#   86 ALA  HN           86 ALA  MB          3.00    (#   1267:20  Unique         2.21, 2.82 A)
 &rst
  ixpk= 1267, nxpk= 20, iat=1375,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1379,1380,1381,
 &end
#
#    0 AMB  20-2:1272     1 MET  ME          4.00    (#   1272:20  Single Ambig)
 &rst
  ixpk= 1272, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1673,1681,1675,1679,
 igr2=  15,  16,  17,
 &end
#
#    2 LYS  HN            1 MET  ME          6.00    (#   1275:20  Unique         3.69, 5.95 A)
 &rst
  ixpk= 1275, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  15,  16,  17,
 &end
#
#    5 GLN  HE2-          1 MET  ME          4.00    (#   1276:20  Unique         1.91, 3.31 A)
 &rst
  ixpk= 1276, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  98,  99,
 igr2=  15,  16,  17,
 &end
#
#    5 GLN  HE2+          1 MET  ME          3.00    (#   1277:20  Unique         1.91, 3.31 A)
 &rst
  ixpk= 1277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  98,  99,
 igr2=  15,  16,  17,
 &end
#
#   34 ILE  HN           34 ILE  QG2         6.00    (#   1280:20  Unique         4.33, 4.62 A)
 &rst
  ixpk= 1280, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 550, 551, 552,
 &end
#
#   34 ILE  HA           34 ILE  QG2         4.00    (#   1283:20  Unique         2.24, 3.06 A)
 &rst
  ixpk= 1283, nxpk= 20, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 550, 551, 552,
 &end
#
#    0 AMB  20-2:1284     0 AMB  20-1:1284   4.00    (#   1284:20  Double Ambig)
 &rst
  ixpk= 1284, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 563,1365,
 igr2= 550, 551, 552,1301,1302,1303,
 &end
#
#    0 AMB  20-2:1285     0 AMB  20-1:1285   5.00    (#   1285:20  Double Ambig)
 &rst
  ixpk= 1285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1413, 608,
 igr2=1301,1302,1303, 550, 551, 552,
 &end
#
#   82 LYS  HN           81 ILE  QG2         5.00    (#   1286:20  Unique         2.97, 4.12 A)
 &rst
  ixpk= 1286, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1301,1302,1303,
 &end
#
#    0 AMB  20-2:1287     0 AMB  20-1:1287   5.00    (#   1287:20  Double Ambig)
 &rst
  ixpk= 1287, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1295,1417,
 igr2=1301,1302,1303,1435,1436,1437,
 &end
#
#   36 PHE  HD           34 ILE  QG2         5.00    (#   1288:20  Unique         2.86, 5.52 A)
 &rst
  ixpk= 1288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 588, 596,
 igr2= 550, 551, 552,
 &end
#
#  120 THR  HN           27 ILE  QG2         5.00    (#   1289:20  Unique         3.73, 4.63 A)
 &rst
  ixpk= 1289, nxpk= 20, iat=1902,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 440, 441, 442,
 &end
#
#   91 THR  HN           90 ILE  QG2         4.00    (#   1291:20  Unique         3.05, 4.38 A)
 &rst
  ixpk= 1291, nxpk= 20, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1435,1436,1437,
 &end
#
#   27 ILE  HN           27 ILE  QG2         4.00    (#   1292:20  Unique         3.74, 4.29 A)
 &rst
  ixpk= 1292, nxpk= 20, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 440, 441, 442,
 &end
#
#   28 GLY  HN           27 ILE  QG2         4.00    (#   1293:20  Unique         2.33, 3.73 A)
 &rst
  ixpk= 1293, nxpk= 20, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 440, 441, 442,
 &end
#
#  121 GLY  HN           27 ILE  QG2         5.00    (#   1294:20  Unique         2.07, 3.11 A)
 &rst
  ixpk= 1294, nxpk= 20, iat=1916,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 440, 441, 442,
 &end
#
#   26 LEU  HN           27 ILE  QG2         5.00    (#   1295:20  Unique         5.60, 6.46 A)
 &rst
  ixpk= 1295, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 440, 441, 442,
 &end
#
#   92 GLN  HN           90 ILE  QG2         5.00    (#   1296:20  Unique         3.31, 4.46 A)
 &rst
  ixpk= 1296, nxpk= 20, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1435,1436,1437,
 &end
#
#   90 ILE  HN           90 ILE  QG2         6.00    (#   1297:20  Unique         3.11, 4.18 A)
 &rst
  ixpk= 1297, nxpk= 20, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1435,1436,1437,
 &end
#
#   18 ASN  HD2+         90 ILE  QG2         5.00    (#   1299:20  Unique         2.36, 5.20 A)
 &rst
  ixpk= 1299, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 302, 303,
 igr2=1435,1436,1437,
 &end
#
#   92 GLN  HE2+         90 ILE  QG2         5.00    (#   1302:20  Unique         2.33, 4.47 A)
 &rst
  ixpk= 1302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1474,1475,
 igr2=1435,1436,1437,
 &end
#
#    0 AMB  20-2:1303   135 MET  ME          5.00    (#   1303:20  Single Ambig)
 &rst
  ixpk= 1303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2118,2020,
 igr2=2129,2130,2131,
 &end
#
#   94 ILE  HA           94 ILE  QD1         6.00    (#   1305:20  Unique         1.97, 3.83 A)
 &rst
  ixpk= 1305, nxpk= 20, iat=1495,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1506,1507,1508,
 &end
#
#   18 ASN  HD2+         94 ILE  QD1         5.00    (#   1306:20  Unique         2.53, 5.30 A)
 &rst
  ixpk= 1306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 302, 303,
 igr2=1506,1507,1508,
 &end
#
#   18 ASN  HD2-         94 ILE  QD1         5.00    (#   1307:20  Unique         2.53, 5.30 A)
 &rst
  ixpk= 1307, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 302, 303,
 igr2=1506,1507,1508,
 &end
#
#   91 THR  HN           94 ILE  QD1         5.00    (#   1308:20  Unique         4.77, 6.19 A)
 &rst
  ixpk= 1308, nxpk= 20, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1506,1507,1508,
 &end
#
#    0 AMB  20-2:1310    48 MET  ME          4.00    (#   1310:20  Single Ambig)
 &rst
  ixpk= 1310, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 770, 613,
 igr2= 781, 782, 783,
 &end
#
#    7 MET  HN            7 MET  ME          4.00    (#   1313:20  Unique         2.09, 3.50 A)
 &rst
  ixpk= 1313, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 128, 129, 130,
 &end
#
#  117 PHE  HE            7 MET  ME          4.00    (#   1314:20  Unique         2.96, 4.94 A)
 &rst
  ixpk= 1314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1858,1862,
 igr2= 128, 129, 130,
 &end
#
#  117 PHE  HZ            7 MET  ME          6.00    (#   1315:20  Unique         3.56, 5.41 A)
 &rst
  ixpk= 1315, nxpk= 20, iat=1860,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 128, 129, 130,
 &end
#
#   32 THR  HG1           7 MET  ME          5.00    (#   1316:20  Unique         3.24, 4.51 A)
 &rst
  ixpk= 1316, nxpk= 20, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 128, 129, 130,
 &end
#
#   32 THR  HA            7 MET  ME          6.00    (#   1317:20  Unique         4.95, 6.10 A)
 &rst
  ixpk= 1317, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 128, 129, 130,
 &end
#
#   81 ILE  HN           39 ILE  QD1         5.00    (#   1318:20  Unique         3.09, 4.63 A)
 &rst
  ixpk= 1318, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 648, 649, 650,
 &end
#
#   80 LYS  HN           39 ILE  QD1         6.00    (#   1319:20  Unique         4.84, 5.79 A)
 &rst
  ixpk= 1319, nxpk= 20, iat=1273,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 648, 649, 650,
 &end
#
#   39 ILE  HN           39 ILE  QD1         5.00    (#   1320:20  Unique         4.29, 4.63 A)
 &rst
  ixpk= 1320, nxpk= 20, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 648, 649, 650,
 &end
#
#   88 HIS  HD2          48 MET  ME          5.00    (#   1321:20  Unique         2.26, 4.09 A)
 &rst
  ixpk= 1321, nxpk= 20, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 781, 782, 783,
 &end
#
#   81 ILE  HN           81 ILE  QD1         4.00    (#   1324:20  Unique         1.99, 3.59 A)
 &rst
  ixpk= 1324, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1308,1309,1310,
 &end
#
#    0 AMB  20-2:1325    27 ILE  QD1         5.00    (#   1325:20  Single Ambig)
 &rst
  ixpk= 1325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1916, 117,
 igr2= 447, 448, 449,
 &end
#
#   27 ILE  HN           27 ILE  QD1         4.00    (#   1326:20  Unique         4.16, 4.38 A)
 &rst
  ixpk= 1326, nxpk= 20, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 447, 448, 449,
 &end
#
#   90 ILE  HN           90 ILE  QD1         5.00    (#   1327:20  Unique         1.85, 3.86 A)
 &rst
  ixpk= 1327, nxpk= 20, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1442,1443,1444,
 &end
#
#   35 HIS  HN           34 ILE  QD1         6.00    (#   1328:20  Unique         5.79, 6.46 A)
 &rst
  ixpk= 1328, nxpk= 20, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 557, 558, 559,
 &end
#
#  115 TYR  HD           34 ILE  QD1         6.00    (#   1329:20  Unique         3.19, 6.49 A)
 &rst
  ixpk= 1329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1819,1828,
 igr2= 557, 558, 559,
 &end
#
#  117 PHE  HE           34 ILE  QD1         4.00    (#   1330:20  Unique         1.98, 3.92 A)
 &rst
  ixpk= 1330, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1858,1862,
 igr2= 557, 558, 559,
 &end
#
#  117 PHE  HD           34 ILE  QD1         4.00    (#   1331:20  Unique         1.95, 4.23 A)
 &rst
  ixpk= 1331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1856,1864,
 igr2= 557, 558, 559,
 &end
#
#    0 AMB  20-2:1334    34 ILE  QD1         5.00    (#   1334:20  Single Ambig)
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 527, 546,
 igr2= 557, 558, 559,
 &end
#
#  117 PHE  HB-          32 THR  HB          5.00    (#   1341:20  Unique         2.11, 2.87 A)
 &rst
  ixpk= 1341, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1852,1853,
 &end
#
#    7 MET  ME           32 THR  HB          4.00    (#   1342:20  Unique         1.98, 3.32 A)
 &rst
  ixpk= 1342, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 128, 129, 130,
 &end
#
#   32 THR  MG2          32 THR  HB          4.00    (#   1343:20  Unique         2.29, 2.69 A)
 &rst
  ixpk= 1343, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 517, 518, 519,
 &end
#
#  117 PHE  HB+          32 THR  HB          5.00    (#   1344:20  Unique         2.11, 2.87 A)
 &rst
  ixpk= 1344, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1852,1853,
 &end
#
#    0 AMB  20-2:1348    11 THR  HB          3.00    (#   1348:20  Single Ambig)
 &rst
  ixpk= 1348, nxpk= 20, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 188, 189, 190, 351, 352, 353,
 &end
#
#    9 GLU  HG-          11 THR  HB          6.00    (#   1349:20  Unique         5.33, 6.36 A)
 &rst
  ixpk= 1349, nxpk= 20, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 155, 156,
 &end
#
#    9 GLU  HB-          11 THR  HB          5.00    (#   1350:20  Unique         4.08, 5.63 A)
 &rst
  ixpk= 1350, nxpk= 20, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 152, 153,
 &end
#
#  147 THR  MG2         147 THR  HB          3.00    (#   1353:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 1353, nxpk= 20, iat=  -1,2333, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2335,2336,2337,
 &end
#
#  144 LEU  HA          147 THR  HB          4.00    (#   1357:20  Unique         3.15, 3.71 A)
 &rst
  ixpk= 1357, nxpk= 20, iat=2287,2333, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  120 THR  HA          120 THR  HB          3.00    (#   1362:20  Unique         2.40, 2.50 A)
 &rst
  ixpk= 1362, nxpk= 20, iat=1904,1906, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  120 THR  MG2         120 THR  HB          3.00    (#   1363:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 1363, nxpk= 20, iat=  -1,1906, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1908,1909,1910,
 &end
#
#   91 THR  HA           91 THR  HB          3.00    (#   1365:20  Unique         2.37, 2.43 A)
 &rst
  ixpk= 1365, nxpk= 20, iat=1450,1452, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   91 THR  MG2          91 THR  HB          3.00    (#   1366:20  Unique         2.29, 2.69 A)
 &rst
  ixpk= 1366, nxpk= 20, iat=  -1,1452, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1454,1455,1456,
 &end
#
#   84 THR  HA           84 THR  HB          4.00    (#   1368:20  Unique         2.95, 3.01 A)
 &rst
  ixpk= 1368, nxpk= 20, iat=1353,1355, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 ILE  HA           84 THR  HB          6.00    (#   1371:20  Unique         2.00, 2.17 A)
 &rst
  ixpk= 1371, nxpk= 20, iat=1297,1355, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   84 THR  MG2          84 THR  HB          4.00    (#   1372:20  Unique         2.32, 2.69 A)
 &rst
  ixpk= 1372, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1357,1358,1359,
 &end
#
#   39 ILE  QG2          84 THR  HB          4.00    (#   1373:20  Unique         2.89, 4.17 A)
 &rst
  ixpk= 1373, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 641, 642, 643,
 &end
#
#  103 THR  HB          103 THR  HA          5.00    (#   1374:20  Unique         2.38, 2.87 A)
 &rst
  ixpk= 1374, nxpk= 20, iat=1633,1631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 THR  MG2         103 THR  HA          5.00    (#   1375:20  Unique         2.13, 3.17 A)
 &rst
  ixpk= 1375, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1635,1636,1637,
 &end
#
#    0 AMB  20-2:1376   103 THR  HB          5.00    (#   1376:20  Single Ambig)
 &rst
  ixpk= 1376, nxpk= 20, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1687,1631,
 &end
#
#  103 THR  MG2         103 THR  HB          4.00    (#   1377:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 1377, nxpk= 20, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1635,1636,1637,
 &end
#
#   84 THR  MG2          84 THR  HA          3.00    (#   1380:20  Unique         2.51, 3.40 A)
 &rst
  ixpk= 1380, nxpk= 20, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1357,1358,1359,
 &end
#
#  143 VAL  HB          140 VAL  HA          4.00    (#   1381:20  Unique         2.65, 2.95 A)
 &rst
  ixpk= 1381, nxpk= 20, iat=2273,2217, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  140 VAL  HB          140 VAL  HA          4.00    (#   1382:20  Unique         2.52, 2.89 A)
 &rst
  ixpk= 1382, nxpk= 20, iat=2219,2217, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1383   140 VAL  HA          3.00    (#   1383:20  Single Ambig)
 &rst
  ixpk= 1383, nxpk= 20, iat=  -1,2217, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 534, 535, 536, 538, 539, 540,2275,2276,2277,2279,
      2280,2281,2275,2276,2277,2279,2280,2281,
 &end
#
#  140 VAL  MGX         140 VAL  HA          3.00    (#   1384:20  Unique         2.02, 3.21 A)
 &rst
  ixpk= 1384, nxpk= 20, iat=  -1,2217, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#  140 VAL  MGY         140 VAL  HA          3.00    (#   1386:20  Unique         2.02, 3.21 A)
 &rst
  ixpk= 1386, nxpk= 20, iat=  -1,2217, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#    0 AMB  20-2:1387   140 VAL  HA          5.00    (#   1387:20  Single Ambig)
 &rst
  ixpk= 1387, nxpk= 20, iat=  -1,2217, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1015,2292,
 &end
#
#   87 GLU  HB-          84 THR  HA          3.00    (#   1388:20  Unique         1.97, 3.71 A)
 &rst
  ixpk= 1388, nxpk= 20, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1389,1390,
 &end
#
#   87 GLU  HB+          84 THR  HA          4.00    (#   1389:20  Unique         1.97, 3.71 A)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1389,1390,
 &end
#
#   38 SER  HA           38 SER  HB+         5.00    (#   1390:20  Unique         2.33, 2.73 A)
 &rst
  ixpk= 1390, nxpk= 20, iat= 626,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 628, 629,
 &end
#
#   49 PRO  HD-          49 PRO  HA          5.00    (#   1392:20  Unique         3.79, 3.88 A)
 &rst
  ixpk= 1392, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 788, 789,
 &end
#
#    0 AMB  20-2:1393     0 AMB  20-1:1393   6.00    (#   1393:20  Double Ambig)
 &rst
  ixpk= 1393, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 656,1143,
 igr2= 628, 629, 628, 629,
 &end
#
#    0 AMB  20-2:1395     0 AMB  20-1:1395   4.00    (#   1395:20  Double Ambig)
 &rst
  ixpk= 1395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1213,1214,1157,1158,
 igr2= 628, 629, 628, 629,
 &end
#
#   51 VAL  HB           51 VAL  HA          4.00    (#   1396:20  Unique         2.69, 2.81 A)
 &rst
  ixpk= 1396, nxpk= 20, iat= 822, 820, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  133 MET  ME           51 VAL  HA          5.00    (#   1397:20  Unique         2.07, 3.46 A)
 &rst
  ixpk= 1397, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2090,2091,2092,
 &end
#
#   51 VAL  MGY          51 VAL  HA          3.00    (#   1398:20  Unique         2.00, 3.26 A)
 &rst
  ixpk= 1398, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#   51 VAL  MGX          51 VAL  HA          4.00    (#   1399:20  Unique         2.00, 3.26 A)
 &rst
  ixpk= 1399, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#   52 ASN  HB+          49 PRO  HA          4.00    (#   1400:20  Unique         2.50, 3.77 A)
 &rst
  ixpk= 1400, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 838, 839,
 &end
#
#   49 PRO  HB-          49 PRO  HA          3.00    (#   1401:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1401, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 794, 795,
 &end
#
#   49 PRO  HB+          49 PRO  HA          4.00    (#   1402:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1402, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 794, 795,
 &end
#
#   38 SER  HA           38 SER  HB-         5.00    (#   1403:20  Unique         2.33, 2.73 A)
 &rst
  ixpk= 1403, nxpk= 20, iat= 626,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 628, 629,
 &end
#
#    0 AMB  20-2:1404    38 SER  HB-         5.00    (#   1404:20  Single Ambig)
 &rst
  ixpk= 1404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 656,1143,
 igr2= 628, 629,
 &end
#
#   41 CYS  HB+          38 SER  HB-         5.00    (#   1406:20  Unique         2.14, 4.04 A)
 &rst
  ixpk= 1406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 669, 670,
 igr2= 628, 629,
 &end
#
#  111 VAL  MGY          38 SER  HB-         5.00    (#   1407:20  Unique         1.93, 4.29 A)
 &rst
  ixpk= 1407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2= 628, 629,
 &end
#
#   84 THR  HB           81 ILE  HA          5.00    (#   1408:20  Unique         2.00, 2.17 A)
 &rst
  ixpk= 1408, nxpk= 20, iat=1355,1297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 ILE  HG1-         81 ILE  HA          5.00    (#   1409:20  Unique         2.14, 2.75 A)
 &rst
  ixpk= 1409, nxpk= 20, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1305,1306,
 &end
#
#   72 SER  HA           72 SER  HB-         4.00    (#   1411:20  Unique         2.46, 2.86 A)
 &rst
  ixpk= 1411, nxpk= 20, iat=1173,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1175,1176,
 &end
#
#   72 SER  HA           72 SER  HB+         4.00    (#   1413:20  Unique         2.46, 2.86 A)
 &rst
  ixpk= 1413, nxpk= 20, iat=1173,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1175,1176,
 &end
#
#    0 AMB  20-2:1415   143 VAL  HA          6.00    (#   1415:20  Single Ambig)
 &rst
  ixpk= 1415, nxpk= 20, iat=  -1,2271, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2316,2233,
 &end
#
#  146 GLU  HG-         143 VAL  HA          4.00    (#   1416:20  Unique         1.94, 2.81 A)
 &rst
  ixpk= 1416, nxpk= 20, iat=  -1,2271, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2321,2322,
 &end
#
#    0 AMB  20-2:1418   143 VAL  HA          3.00    (#   1418:20  Single Ambig)
 &rst
  ixpk= 1418, nxpk= 20, iat=  -1,2271, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2318,2319,2273,
 &end
#
#    0 AMB  20-2:1419   143 VAL  HA          5.00    (#   1419:20  Single Ambig)
 &rst
  ixpk= 1419, nxpk= 20, iat=  -1,2271, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2249,2250, 501, 502,
 &end
#
#  145 ALA  MB          143 VAL  HA          6.00    (#   1420:20  Unique         5.16, 6.31 A)
 &rst
  ixpk= 1420, nxpk= 20, iat=  -1,2271, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2308,2309,2310,
 &end
#
#    0 AMB  20-2:1421   143 VAL  HA          3.00    (#   1421:20  Single Ambig)
 &rst
  ixpk= 1421, nxpk= 20, iat=  -1,2271, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#   81 ILE  QD1          81 ILE  HA          5.00    (#   1422:20  Unique         2.33, 4.30 A)
 &rst
  ixpk= 1422, nxpk= 20, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1308,1309,1310,
 &end
#
#   80 LYS  HA           81 ILE  HA          5.00    (#   1423:20  Unique         4.75, 4.87 A)
 &rst
  ixpk= 1423, nxpk= 20, iat=1275,1297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1424    81 ILE  HA          4.00    (#   1424:20  Single Ambig)
 &rst
  ixpk= 1424, nxpk= 20, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1357,1358,1359,1299,
 &end
#
#   81 ILE  HG1+         81 ILE  HA          5.00    (#   1425:20  Unique         2.14, 2.75 A)
 &rst
  ixpk= 1425, nxpk= 20, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1305,1306,
 &end
#
#   39 ILE  QG2          81 ILE  HA          4.00    (#   1426:20  Unique         2.45, 3.71 A)
 &rst
  ixpk= 1426, nxpk= 20, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 641, 642, 643,
 &end
#
#    0 AMB  20-2:1427    81 ILE  HA          5.00    (#   1427:20  Single Ambig)
 &rst
  ixpk= 1427, nxpk= 20, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 648, 649, 650, 283, 284, 285, 287, 288, 289,
 &end
#
#   81 ILE  QG2          81 ILE  HA          4.00    (#   1428:20  Unique         2.38, 3.25 A)
 &rst
  ixpk= 1428, nxpk= 20, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1301,1302,1303,
 &end
#
#    0 AMB  20-2:1429     0 AMB  20-1:1429   5.00    (#   1429:20  Double Ambig)
 &rst
  ixpk= 1429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 626, 714,
 igr2= 637,1175,1176,
 &end
#
#   39 ILE  QD1          39 ILE  HA          5.00    (#   1430:20  Unique         4.32, 4.99 A)
 &rst
  ixpk= 1430, nxpk= 20, iat=  -1, 637, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 648, 649, 650,
 &end
#
#   39 ILE  HB           39 ILE  HA          4.00    (#   1431:20  Unique         2.30, 2.39 A)
 &rst
  ixpk= 1431, nxpk= 20, iat= 639, 637, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 THR  MG2          39 ILE  HA          4.00    (#   1432:20  Unique         3.57, 4.52 A)
 &rst
  ixpk= 1432, nxpk= 20, iat=  -1, 637, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1357,1358,1359,
 &end
#
#   39 ILE  QG2          39 ILE  HA          3.00    (#   1433:20  Unique         2.20, 3.13 A)
 &rst
  ixpk= 1433, nxpk= 20, iat=  -1, 637, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 641, 642, 643,
 &end
#
#   78 PRO  HD+          78 PRO  HA          5.00    (#   1435:20  Unique         3.79, 3.88 A)
 &rst
  ixpk= 1435, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1253,1254,
 &end
#
#    0 AMB  20-2:1436    78 PRO  HA          4.00    (#   1436:20  Single Ambig)
 &rst
  ixpk= 1436, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1253,1254,1268,1269,
 &end
#
#   78 PRO  HB-          78 PRO  HA          3.00    (#   1437:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1437, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1259,1260,
 &end
#
#   78 PRO  HB+          78 PRO  HA          3.00    (#   1438:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1438, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1259,1260,
 &end
#
#    0 AMB  20-2:1439    78 PRO  HA          4.00    (#   1439:20  Single Ambig)
 &rst
  ixpk= 1439, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1256,1257,1277,1278,
 &end
#
#   81 ILE  HB           78 PRO  HA          4.00    (#   1440:20  Unique         2.13, 2.65 A)
 &rst
  ixpk= 1440, nxpk= 20, iat=1299,1262, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1441    78 PRO  HA          5.00    (#   1441:20  Single Ambig)
 &rst
  ixpk= 1441, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1538,1539,1540,1542,1543,1544, 283, 284, 285, 287,
       288, 289,
 &end
#
#    0 AMB  20-2:1442    78 PRO  HA          5.00    (#   1442:20  Single Ambig)
 &rst
  ixpk= 1442, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1538,1539,1540,1542,1543,1544, 283, 284, 285, 287,
       288, 289,
 &end
#
#   81 ILE  QG2          78 PRO  HA          5.00    (#   1443:20  Unique         3.95, 4.90 A)
 &rst
  ixpk= 1443, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1301,1302,1303,
 &end
#
#   81 ILE  QD1          78 PRO  HA          4.00    (#   1444:20  Unique         1.99, 3.41 A)
 &rst
  ixpk= 1444, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1308,1309,1310,
 &end
#
#   68 HIS  HB-          96 VAL  HA          5.00    (#   1448:20  Unique         1.99, 3.59 A)
 &rst
  ixpk= 1448, nxpk= 20, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1103,1104,
 &end
#
#   96 VAL  MGY          96 VAL  HA          4.00    (#   1449:20  Unique         2.25, 3.42 A)
 &rst
  ixpk= 1449, nxpk= 20, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1538,1539,1540,1542,1543,1544,
 &end
#
#    0 AMB  20-2:1450    96 VAL  HA          5.00    (#   1450:20  Single Ambig)
 &rst
  ixpk= 1450, nxpk= 20, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1103,1104,1536,
 &end
#
#   96 VAL  MGX          96 VAL  HA          4.00    (#   1452:20  Unique         2.25, 3.42 A)
 &rst
  ixpk= 1452, nxpk= 20, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1538,1539,1540,1542,1543,1544,
 &end
#
#    0 AMB  20-2:1453    44 CYS  HA          6.00    (#   1453:20  Single Ambig)
 &rst
  ixpk= 1453, nxpk= 20, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1756,1757,1758,1760,1761,1762, 702, 703, 704, 706,
       707, 708,
 &end
#
#   44 CYS  HB+          44 CYS  HA          5.00    (#   1460:20  Unique         2.27, 2.65 A)
 &rst
  ixpk= 1460, nxpk= 20, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 716, 717,
 &end
#
#    0 AMB  20-2:1464    44 CYS  HA          4.00    (#   1464:20  Single Ambig)
 &rst
  ixpk= 1464, nxpk= 20, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1773,1774,1770,1771,1770,1771,
 &end
#
#  112 PRO  HB-          44 CYS  HA          5.00    (#   1465:20  Unique         2.35, 3.49 A)
 &rst
  ixpk= 1465, nxpk= 20, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1773,1774,
 &end
#
#   47 ALA  MB           44 CYS  HA          5.00    (#   1466:20  Unique         2.51, 3.61 A)
 &rst
  ixpk= 1466, nxpk= 20, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 764, 765, 766,
 &end
#
#   38 SER  HB-          40 SER  HB+         4.00    (#   1471:20  Unique         3.32, 5.06 A)
 &rst
  ixpk= 1471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 628, 629,
 igr2= 658, 659,
 &end
#
#  131 SER  HA          131 SER  HB-         4.00    (#   1472:20  Unique         2.43, 2.79 A)
 &rst
  ixpk= 1472, nxpk= 20, iat=2063,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2065,2066,
 &end
#
#  131 SER  HA          131 SER  HB+         4.00    (#   1477:20  Unique         2.43, 2.79 A)
 &rst
  ixpk= 1477, nxpk= 20, iat=2063,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2065,2066,
 &end
#
#   98 SER  HA           98 SER  HB+         4.00    (#   1480:20  Unique         2.32, 2.69 A)
 &rst
  ixpk= 1480, nxpk= 20, iat=1562,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1564,1565,
 &end
#
#    0 AMB  20-2:1482    31 PRO  HA          6.00    (#   1482:20  Single Ambig)
 &rst
  ixpk= 1482, nxpk= 20, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 498, 499, 515,
 &end
#
#   40 SER  HA           40 SER  HB+         4.00    (#   1484:20  Unique         2.38, 2.67 A)
 &rst
  ixpk= 1484, nxpk= 20, iat= 656,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 658, 659,
 &end
#
#    8 PRO  HD-           8 PRO  HA          6.00    (#   1486:20  Unique         3.79, 3.88 A)
 &rst
  ixpk= 1486, nxpk= 20, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 135, 136,
 &end
#
#    8 PRO  HB-           8 PRO  HA          3.00    (#   1487:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1487, nxpk= 20, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 141, 142,
 &end
#
#    8 PRO  HG-           8 PRO  HA          4.00    (#   1488:20  Unique         3.88, 3.93 A)
 &rst
  ixpk= 1488, nxpk= 20, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 138, 139,
 &end
#
#   70 PRO  HB-          70 PRO  HA          4.00    (#   1491:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1491, nxpk= 20, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1140,1141,
 &end
#
#  119 LYS  HB-          31 PRO  HA          5.00    (#   1492:20  Unique         3.14, 3.77 A)
 &rst
  ixpk= 1492, nxpk= 20, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1884,1885,
 &end
#
#  118 ASP  HA           31 PRO  HA          4.00    (#   1493:20  Unique         3.34, 3.73 A)
 &rst
  ixpk= 1493, nxpk= 20, iat=1870, 507, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  119 LYS  HA           31 PRO  HA          5.00    (#   1494:20  Unique         1.89, 2.00 A)
 &rst
  ixpk= 1494, nxpk= 20, iat=1882, 507, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ASP  HB+          70 PRO  HA          5.00    (#   1495:20  Unique         1.95, 2.75 A)
 &rst
  ixpk= 1495, nxpk= 20, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1213,1214,
 &end
#
#   75 ASP  HB-          70 PRO  HA          4.00    (#   1496:20  Unique         1.95, 2.75 A)
 &rst
  ixpk= 1496, nxpk= 20, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1213,1214,
 &end
#
#   31 PRO  HB-          31 PRO  HA          4.00    (#   1497:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1497, nxpk= 20, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 504, 505,
 &end
#
#    0 AMB  20-2:1498     0 AMB  20-1:1498   3.00    (#   1498:20  Double Ambig)
 &rst
  ixpk= 1498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1140,1141, 504, 505,
 igr2=1143, 507,
 &end
#
#    8 PRO  HB+           8 PRO  HA          3.00    (#   1499:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1499, nxpk= 20, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 141, 142,
 &end
#
#    0 AMB  20-2:1501    31 PRO  HA          5.00    (#   1501:20  Single Ambig)
 &rst
  ixpk= 1501, nxpk= 20, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#  119 LYS  HB-          31 PRO  HA          6.00    (#   1503:20  Unique         3.14, 3.77 A)
 &rst
  ixpk= 1503, nxpk= 20, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1884,1885,
 &end
#
#   91 THR  HB           91 THR  HA          3.00    (#   1508:20  Unique         2.37, 2.43 A)
 &rst
  ixpk= 1508, nxpk= 20, iat=1452,1450, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   91 THR  MG2          91 THR  HA          3.00    (#   1509:20  Unique         2.57, 3.32 A)
 &rst
  ixpk= 1509, nxpk= 20, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1454,1455,1456,
 &end
#
#  120 THR  HB          120 THR  HA          3.00    (#   1511:20  Unique         2.40, 2.50 A)
 &rst
  ixpk= 1511, nxpk= 20, iat=1906,1904, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  120 THR  MG2         120 THR  HA          4.00    (#   1512:20  Unique         2.70, 3.75 A)
 &rst
  ixpk= 1512, nxpk= 20, iat=  -1,1904, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1908,1909,1910,
 &end
#
#   27 ILE  QG2         120 THR  HA          4.00    (#   1513:20  Unique         1.96, 3.96 A)
 &rst
  ixpk= 1513, nxpk= 20, iat=  -1,1904, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 440, 441, 442,
 &end
#
#   27 ILE  HB          120 THR  HA          5.00    (#   1514:20  Unique         3.56, 4.01 A)
 &rst
  ixpk= 1514, nxpk= 20, iat= 438,1904, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  147 THR  MG2         147 THR  HA          4.00    (#   1515:20  Unique         2.52, 3.54 A)
 &rst
  ixpk= 1515, nxpk= 20, iat=  -1,2331, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2335,2336,2337,
 &end
#
#    0 AMB  20-2:1517    65 VAL  HA          5.00    (#   1517:20  Single Ambig)
 &rst
  ixpk= 1517, nxpk= 20, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1480,1481,1480,1481,
 &end
#
#    0 AMB  20-2:1518     0 AMB  20-1:1518   5.00    (#   1518:20  Double Ambig)
 &rst
  ixpk= 1518, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1486,1487,2321,2322,
 igr2=1059,2331,
 &end
#
#   65 VAL  HB           65 VAL  HA          3.00    (#   1520:20  Unique         2.25, 2.32 A)
 &rst
  ixpk= 1520, nxpk= 20, iat=1061,1059, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1527     0 AMB  20-1:1527   5.00    (#   1527:20  Double Ambig)
 &rst
  ixpk= 1527, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1564,1565, 297, 298,
 igr2=1562,1450,
 &end
#
#   65 VAL  MGX          65 VAL  HA          3.00    (#   1534:20  Unique         2.25, 3.57 A)
 &rst
  ixpk= 1534, nxpk= 20, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1063,1064,1065,1067,1068,1069,
 &end
#
#    0 AMB  20-2:1540    65 VAL  HA          5.00    (#   1540:20  Single Ambig)
 &rst
  ixpk= 1540, nxpk= 20, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 335, 336, 337, 339, 340, 341, 335, 336, 337, 339,
       340, 341, 424, 425, 426, 428, 429, 430,
 &end
#
#   91 THR  MG2          90 ILE  HA          5.00    (#   1543:20  Unique         3.21, 4.55 A)
 &rst
  ixpk= 1543, nxpk= 20, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1454,1455,1456,
 &end
#
#   90 ILE  QD1          90 ILE  HA          5.00    (#   1544:20  Unique         1.91, 4.44 A)
 &rst
  ixpk= 1544, nxpk= 20, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1442,1443,1444,
 &end
#
#   90 ILE  HG1-         90 ILE  HA          5.00    (#   1551:20  Unique         2.56, 3.28 A)
 &rst
  ixpk= 1551, nxpk= 20, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1439,1440,
 &end
#
#   90 ILE  QG2          90 ILE  HA          4.00    (#   1552:20  Unique         2.02, 2.94 A)
 &rst
  ixpk= 1552, nxpk= 20, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1435,1436,1437,
 &end
#
#   90 ILE  HG1+         90 ILE  HA          5.00    (#   1553:20  Unique         2.56, 3.28 A)
 &rst
  ixpk= 1553, nxpk= 20, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1439,1440,
 &end
#
#   90 ILE  HB           90 ILE  HA          5.00    (#   1560:20  Unique         2.80, 2.92 A)
 &rst
  ixpk= 1560, nxpk= 20, iat=1433,1431, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1567    27 ILE  HA          5.00    (#   1567:20  Single Ambig)
 &rst
  ixpk= 1567, nxpk= 20, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 455, 456,1904,
 &end
#
#    0 AMB  20-2:1568    27 ILE  HA          5.00    (#   1568:20  Single Ambig)
 &rst
  ixpk= 1568, nxpk= 20, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 455, 456,1918,1919,
 &end
#
#   27 ILE  HG1+         27 ILE  HA          4.00    (#   1569:20  Unique         2.46, 3.50 A)
 &rst
  ixpk= 1569, nxpk= 20, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 444, 445,
 &end
#
#   27 ILE  HB           27 ILE  HA          4.00    (#   1570:20  Unique         2.69, 2.76 A)
 &rst
  ixpk= 1570, nxpk= 20, iat= 438, 436, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 ILE  QG2          27 ILE  HA          3.00    (#   1571:20  Unique         2.02, 2.83 A)
 &rst
  ixpk= 1571, nxpk= 20, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 440, 441, 442,
 &end
#
#   48 MET  HG-          45 LYS  HA          5.00    (#   1573:20  Unique         2.56, 3.62 A)
 &rst
  ixpk= 1573, nxpk= 20, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 777, 778,
 &end
#
#   48 MET  HB+          45 LYS  HA          4.00    (#   1574:20  Unique         2.07, 2.98 A)
 &rst
  ixpk= 1574, nxpk= 20, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 774, 775,
 &end
#
#   45 LYS  HB+          45 LYS  HA          3.00    (#   1575:20  Unique         2.32, 2.70 A)
 &rst
  ixpk= 1575, nxpk= 20, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 727, 728,
 &end
#
#   45 LYS  HD+          45 LYS  HA          5.00    (#   1576:20  Unique         1.92, 2.38 A)
 &rst
  ixpk= 1576, nxpk= 20, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 733, 734,
 &end
#
#   45 LYS  HG+          45 LYS  HA          4.00    (#   1577:20  Unique         2.66, 3.56 A)
 &rst
  ixpk= 1577, nxpk= 20, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 730, 731,
 &end
#
#    0 AMB  20-2:1579    54 PHE  HA          3.00    (#   1579:20  Single Ambig)
 &rst
  ixpk= 1579, nxpk= 20, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 923, 924, 929, 930,
 &end
#
#   49 PRO  HD+          45 LYS  HA          5.00    (#   1580:20  Unique         3.26, 4.14 A)
 &rst
  ixpk= 1580, nxpk= 20, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 788, 789,
 &end
#
#   54 PHE  HB-          54 PHE  HA          3.00    (#   1581:20  Unique         2.32, 2.70 A)
 &rst
  ixpk= 1581, nxpk= 20, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 867, 868,
 &end
#
#   54 PHE  HB+          54 PHE  HA          4.00    (#   1582:20  Unique         2.32, 2.70 A)
 &rst
  ixpk= 1582, nxpk= 20, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 867, 868,
 &end
#
#   45 LYS  HE+          45 LYS  HA          6.00    (#   1584:20  Unique         4.22, 4.57 A)
 &rst
  ixpk= 1584, nxpk= 20, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 736, 737,
 &end
#
#    0 AMB  20-2:1586    23 ARG  HA          3.00    (#   1586:20  Single Ambig)
 &rst
  ixpk= 1586, nxpk= 20, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 419, 420, 363, 364,
 &end
#
#    0 AMB  20-2:1587    23 ARG  HA          5.00    (#   1587:20  Single Ambig)
 &rst
  ixpk= 1587, nxpk= 20, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 121, 122, 170,
 &end
#
#    0 AMB  20-2:1588    23 ARG  HA          3.00    (#   1588:20  Single Ambig)
 &rst
  ixpk= 1588, nxpk= 20, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 366, 367, 444, 445, 121, 122,
 &end
#
#    0 AMB  20-2:1589     0 AMB  20-1:1589   3.00    (#   1589:20  Double Ambig)
 &rst
  ixpk= 1589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 283, 284, 285, 287, 288, 289, 172, 173, 174, 176,
       177, 178,
 igr2=1316, 361,
 &end
#
#    0 AMB  20-2:1590     0 AMB  20-1:1590   3.00    (#   1590:20  Double Ambig)
 &rst
  ixpk= 1590, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 283, 284, 285, 287, 288, 289, 424, 425, 426, 428,
       429, 430,
 igr2=1316, 361,
 &end
#
#    0 AMB  20-2:1591   137 GLU  HA          5.00    (#   1591:20  Single Ambig)
 &rst
  ixpk= 1591, nxpk= 20, iat=  -1,2156, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2139,2140, 923, 924,
 &end
#
#   82 LYS  HB-          82 LYS  HA          3.00    (#   1593:20  Unique         2.38, 2.79 A)
 &rst
  ixpk= 1593, nxpk= 20, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1318,1319,
 &end
#
#   81 ILE  QG2          82 LYS  HA          5.00    (#   1595:20  Unique         3.10, 4.40 A)
 &rst
  ixpk= 1595, nxpk= 20, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1301,1302,1303,
 &end
#
#    0 AMB  20-2:1597   137 GLU  HA          3.00    (#   1597:20  Single Ambig)
 &rst
  ixpk= 1597, nxpk= 20, iat=  -1,2156, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2161,2162,2158,2159,
 &end
#
#    0 AMB  20-2:1598   137 GLU  HA          4.00    (#   1598:20  Single Ambig)
 &rst
  ixpk= 1598, nxpk= 20, iat=  -1,2156, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2161,2162,2219,
 &end
#
#    0 AMB  20-2:1599   137 GLU  HA          5.00    (#   1599:20  Single Ambig)
 &rst
  ixpk= 1599, nxpk= 20, iat=  -1,2156, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2142,2139,2140, 534, 535, 536, 538, 539, 540,
 &end
#
#  140 VAL  MGX         137 GLU  HA          4.00    (#   1600:20  Unique         2.24, 4.83 A)
 &rst
  ixpk= 1600, nxpk= 20, iat=  -1,2156, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#  140 VAL  MGY         137 GLU  HA          5.00    (#   1601:20  Unique         2.24, 4.83 A)
 &rst
  ixpk= 1601, nxpk= 20, iat=  -1,2156, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#   24 GLU  HG-          24 GLU  HA          4.00    (#   1602:20  Unique         3.53, 3.74 A)
 &rst
  ixpk= 1602, nxpk= 20, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 390, 391,
 &end
#
#   24 GLU  HG+          24 GLU  HA          4.00    (#   1603:20  Unique         3.53, 3.74 A)
 &rst
  ixpk= 1603, nxpk= 20, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 390, 391,
 &end
#
#   24 GLU  HB+          24 GLU  HA          3.00    (#   1604:20  Unique         2.32, 2.47 A)
 &rst
  ixpk= 1604, nxpk= 20, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 387, 388,
 &end
#
#  138 LYS  HB-         138 LYS  HA          3.00    (#   1606:20  Unique         2.23, 2.60 A)
 &rst
  ixpk= 1606, nxpk= 20, iat=  -1,2171, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2173,2174,
 &end
#
#    0 AMB  20-2:1607    24 GLU  HA          5.00    (#   1607:20  Single Ambig)
 &rst
  ixpk= 1607, nxpk= 20, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 400, 417,
 &end
#
#    0 AMB  20-2:1609   138 LYS  HA          4.00    (#   1609:20  Single Ambig)
 &rst
  ixpk= 1609, nxpk= 20, iat=  -1,2171, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2182,2183,2235,2236,
 &end
#
#  138 LYS  HG+         138 LYS  HA          4.00    (#   1610:20  Unique         2.64, 3.70 A)
 &rst
  ixpk= 1610, nxpk= 20, iat=  -1,2171, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2176,2177,
 &end
#
#  138 LYS  HG-         138 LYS  HA          4.00    (#   1611:20  Unique         2.64, 3.70 A)
 &rst
  ixpk= 1611, nxpk= 20, iat=  -1,2171, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2176,2177,
 &end
#
#  141 ASN  HB+         138 LYS  HA          4.00    (#   1612:20  Unique         2.26, 3.59 A)
 &rst
  ixpk= 1612, nxpk= 20, iat=  -1,2171, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2235,2236,
 &end
#
#   42 HIS  HB-          42 HIS  HA          3.00    (#   1613:20  Unique         2.22, 2.66 A)
 &rst
  ixpk= 1613, nxpk= 20, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 680, 681,
 &end
#
#   42 HIS  HB+          42 HIS  HA          3.00    (#   1614:20  Unique         2.22, 2.66 A)
 &rst
  ixpk= 1614, nxpk= 20, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 680, 681,
 &end
#
#   45 LYS  HE+          42 HIS  HA          5.00    (#   1615:20  Unique         3.89, 4.82 A)
 &rst
  ixpk= 1615, nxpk= 20, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 736, 737,
 &end
#
#   45 LYS  HB+          42 HIS  HA          5.00    (#   1616:20  Unique         3.11, 4.12 A)
 &rst
  ixpk= 1616, nxpk= 20, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 727, 728,
 &end
#
#    0 AMB  20-2:1617     0 AMB  20-1:1617   4.00    (#   1617:20  Double Ambig)
 &rst
  ixpk= 1617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 890, 891, 733, 734, 733, 734,
 igr2= 964, 678,
 &end
#
#   45 LYS  HG+          42 HIS  HA          5.00    (#   1618:20  Unique         1.98, 2.93 A)
 &rst
  ixpk= 1618, nxpk= 20, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 730, 731,
 &end
#
#   83 GLU  HB-          83 GLU  HA          3.00    (#   1619:20  Unique         2.38, 2.81 A)
 &rst
  ixpk= 1619, nxpk= 20, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1340,1341,
 &end
#
#   86 ALA  MB           83 GLU  HA          3.00    (#   1620:20  Unique         1.99, 3.01 A)
 &rst
  ixpk= 1620, nxpk= 20, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1379,1380,1381,
 &end
#
#   83 GLU  HG-          83 GLU  HA          4.00    (#   1622:20  Unique         1.99, 2.98 A)
 &rst
  ixpk= 1622, nxpk= 20, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1343,1344,
 &end
#
#   83 GLU  HB+          83 GLU  HA          3.00    (#   1623:20  Unique         2.38, 2.81 A)
 &rst
  ixpk= 1623, nxpk= 20, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1340,1341,
 &end
#
#    0 AMB  20-2:1624     0 AMB  20-1:1624   4.00    (#   1624:20  Double Ambig)
 &rst
  ixpk= 1624, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 911, 912,2235,2236,
 igr2= 850,2247,
 &end
#
#   20 GLU  HA           21 VAL  HA          5.00    (#   1627:20  Unique         4.39, 4.50 A)
 &rst
  ixpk= 1627, nxpk= 20, iat= 316, 331, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GLN  HB-          21 VAL  HA          5.00    (#   1628:20  Unique         2.73, 3.89 A)
 &rst
  ixpk= 1628, nxpk= 20, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 402, 403,
 &end
#
#   21 VAL  HB           21 VAL  HA          4.00    (#   1629:20  Unique         2.33, 2.60 A)
 &rst
  ixpk= 1629, nxpk= 20, iat= 333, 331, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 THR  MG2          21 VAL  HA          5.00    (#   1631:20  Unique         4.34, 5.64 A)
 &rst
  ixpk= 1631, nxpk= 20, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 351, 352, 353,
 &end
#
#   21 VAL  MGX          21 VAL  HA          3.00    (#   1632:20  Unique         2.19, 3.40 A)
 &rst
  ixpk= 1632, nxpk= 20, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 335, 336, 337, 339, 340, 341,
 &end
#
#    0 AMB  20-2:1636   142 ARG  HA          5.00    (#   1636:20  Single Ambig)
 &rst
  ixpk= 1636, nxpk= 20, iat=  -1,2247, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2235,2236,2201,2202,
 &end
#
#   53 GLU  HG+          53 GLU  HA          4.00    (#   1637:20  Unique         3.04, 3.70 A)
 &rst
  ixpk= 1637, nxpk= 20, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 855, 856,
 &end
#
#   60 ASP  HA           59 GLN  HA          5.00    (#   1639:20  Unique         4.27, 4.51 A)
 &rst
  ixpk= 1639, nxpk= 20, iat= 981, 964, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 GLN  HG-          59 GLN  HA          4.00    (#   1640:20  Unique         2.75, 3.72 A)
 &rst
  ixpk= 1640, nxpk= 20, iat=  -1, 964, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 969, 970,
 &end
#
#   59 GLN  HB-          59 GLN  HA          3.00    (#   1641:20  Unique         2.26, 2.53 A)
 &rst
  ixpk= 1641, nxpk= 20, iat=  -1, 964, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 966, 967,
 &end
#
#  142 ARG  HD+         142 ARG  HA          4.00    (#   1650:20  Unique         1.96, 2.80 A)
 &rst
  ixpk= 1650, nxpk= 20, iat=  -1,2247, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2255,2256,
 &end
#
#    0 AMB  20-2:1651     0 AMB  20-1:1651   3.00    (#   1651:20  Double Ambig)
 &rst
  ixpk= 1651, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=2249,2250, 207, 208,
 igr2=2247, 205,
 &end
#
#   57 LYS  HB-          57 LYS  HA          3.00    (#   1652:20  Unique         2.56, 2.84 A)
 &rst
  ixpk= 1652, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 923, 924,
 &end
#
#    0 AMB  20-2:1653    57 LYS  HA          3.00    (#   1653:20  Single Ambig)
 &rst
  ixpk= 1653, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 929, 930, 923, 924,
 &end
#
#   57 LYS  HG-          57 LYS  HA          3.00    (#   1654:20  Unique         1.94, 2.62 A)
 &rst
  ixpk= 1654, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 926, 927,
 &end
#
#   60 ASP  HA           59 GLN  HA          5.00    (#   1660:20  Unique         4.27, 4.51 A)
 &rst
  ixpk= 1660, nxpk= 20, iat= 981, 964, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1661   142 ARG  HA          3.00    (#   1661:20  Single Ambig)
 &rst
  ixpk= 1661, nxpk= 20, iat=  -1,2247, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2252,2253,2252,2253,
 &end
#
#   47 ALA  HA            0 AMB  20-1:1662   5.00    (#   1662:20  Single Ambig)
 &rst
  ixpk= 1662, nxpk= 20, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 747, 803,
 &end
#
#    0 AMB  20-2:1664     0 AMB  20-1:1664   3.00    (#   1664:20  Double Ambig)
 &rst
  ixpk= 1664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 808, 809, 752, 753,
 igr2= 803, 747,
 &end
#
#    0 AMB  20-2:1665     0 AMB  20-1:1665   3.00    (#   1665:20  Double Ambig)
 &rst
  ixpk= 1665, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 855, 856, 749, 750,
 igr2= 803, 747,
 &end
#
#   86 ALA  MB           87 GLU  HA          4.00    (#   1666:20  Unique         4.20, 4.97 A)
 &rst
  ixpk= 1666, nxpk= 20, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1379,1380,1381,
 &end
#
#    0 AMB  20-2:1667     0 AMB  20-1:1667   6.00    (#   1667:20  Double Ambig)
 &rst
  ixpk= 1667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1402,1645,
 igr2=1387,1667,
 &end
#
#   56 ASP  HA           57 LYS  HA          6.00    (#   1668:20  Unique         4.73, 4.84 A)
 &rst
  ixpk= 1668, nxpk= 20, iat= 909, 921, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   57 LYS  HG+          57 LYS  HA          4.00    (#   1670:20  Unique         1.94, 2.62 A)
 &rst
  ixpk= 1670, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 926, 927,
 &end
#
#  119 LYS  HE+         119 LYS  HA          5.00    (#   1673:20  Unique         3.86, 5.22 A)
 &rst
  ixpk= 1673, nxpk= 20, iat=  -1,1882, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1893,1894,
 &end
#
#   50 GLN  HG-          50 GLN  HA          3.00    (#   1675:20  Unique         2.21, 2.84 A)
 &rst
  ixpk= 1675, nxpk= 20, iat=  -1, 803, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 808, 809,
 &end
#
#    0 AMB  20-2:1677     0 AMB  20-1:1677   4.00    (#   1677:20  Double Ambig)
 &rst
  ixpk= 1677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1377,1657,1419,1353,
 igr2=1387,1667,
 &end
#
#    0 AMB  20-2:1678   106 PHE  HA          3.00    (#   1678:20  Single Ambig)
 &rst
  ixpk= 1678, nxpk= 20, iat=  -1,1667, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  11,  12,  11,  12,1669,1670,
 &end
#
#   87 GLU  HB-          87 GLU  HA          3.00    (#   1679:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 1679, nxpk= 20, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1389,1390,
 &end
#
#    0 AMB  20-2:1680    87 GLU  HA          3.00    (#   1680:20  Single Ambig)
 &rst
  ixpk= 1680, nxpk= 20, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1389,1390,1392,1393,
 &end
#
#    0 AMB  20-2:1682    55 ARG  HA          3.00    (#   1682:20  Single Ambig)
 &rst
  ixpk= 1682, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 890, 891, 887, 888,
 &end
#
#   64 VAL  MGX          55 ARG  HA          3.00    (#   1683:20  Unique         1.96, 3.83 A)
 &rst
  ixpk= 1683, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#  118 ASP  HA          119 LYS  HA          5.00    (#   1684:20  Unique         4.34, 4.34 A)
 &rst
  ixpk= 1684, nxpk= 20, iat=1870,1882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 PRO  HA          119 LYS  HA          5.00    (#   1686:20  Unique         1.89, 2.00 A)
 &rst
  ixpk= 1686, nxpk= 20, iat= 507,1882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 GLU  HG-          80 LYS  HA          5.00    (#   1687:20  Unique         4.65, 5.36 A)
 &rst
  ixpk= 1687, nxpk= 20, iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1343,1344,
 &end
#
#   83 GLU  HB-          80 LYS  HA          3.00    (#   1688:20  Unique         2.74, 3.55 A)
 &rst
  ixpk= 1688, nxpk= 20, iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1340,1341,
 &end
#
#   64 VAL  HB           55 ARG  HA          5.00    (#   1691:20  Unique         3.61, 4.12 A)
 &rst
  ixpk= 1691, nxpk= 20, iat=1045, 885, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1693    55 ARG  HA          5.00    (#   1693:20  Single Ambig)
 &rst
  ixpk= 1693, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 867, 868, 820,
 &end
#
#    0 AMB  20-2:1694    55 ARG  HA          6.00    (#   1694:20  Single Ambig)
 &rst
  ixpk= 1694, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 945, 946, 867, 868,
 &end
#
#   55 ARG  HB-          55 ARG  HA          4.00    (#   1697:20  Unique         2.33, 2.79 A)
 &rst
  ixpk= 1697, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 887, 888,
 &end
#
#   59 GLN  HB-          55 ARG  HA          6.00    (#   1698:20  Unique         3.38, 4.48 A)
 &rst
  ixpk= 1698, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 966, 967,
 &end
#
#   64 VAL  HB           55 ARG  HA          5.00    (#   1699:20  Unique         3.61, 4.12 A)
 &rst
  ixpk= 1699, nxpk= 20, iat=1045, 885, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 VAL  MGY          55 ARG  HA          5.00    (#   1701:20  Unique         1.96, 3.83 A)
 &rst
  ixpk= 1701, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#  113 ALA  MB          111 VAL  HA          4.00    (#   1705:20  Unique         2.66, 3.86 A)
 &rst
  ixpk= 1705, nxpk= 20, iat=  -1,1752, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1784,1785,1786,
 &end
#
#  131 SER  HB-         131 SER  HA          4.00    (#   1706:20  Unique         2.43, 2.79 A)
 &rst
  ixpk= 1706, nxpk= 20, iat=  -1,2063, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2065,2066,
 &end
#
#  119 LYS  HB-           0 AMB  20-1:1708   3.00    (#   1708:20  Single Ambig)
 &rst
  ixpk= 1708, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1884,1885,
 igr2=1882,2345,
 &end
#
#    0 AMB  20-2:1709     0 AMB  20-1:1709   3.00    (#   1709:20  Double Ambig)
 &rst
  ixpk= 1709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1887,1888,1890,1891,1887,1888,
 igr2=2345,1882,
 &end
#
#   39 ILE  QD1          80 LYS  HA          5.00    (#   1710:20  Unique         5.02, 5.82 A)
 &rst
  ixpk= 1710, nxpk= 20, iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 648, 649, 650,
 &end
#
#   83 GLU  HB+          80 LYS  HA          3.00    (#   1712:20  Unique         2.74, 3.55 A)
 &rst
  ixpk= 1712, nxpk= 20, iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1340,1341,
 &end
#
#   80 LYS  HB-          80 LYS  HA          3.00    (#   1713:20  Unique         2.27, 2.74 A)
 &rst
  ixpk= 1713, nxpk= 20, iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1277,1278,
 &end
#
#    0 AMB  20-2:1715     0 AMB  20-1:1715   3.00    (#   1715:20  Double Ambig)
 &rst
  ixpk= 1715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1754, 697, 698,
 igr2=1752,2063,
 &end
#
#    0 AMB  20-2:1716   131 SER  HA          3.00    (#   1716:20  Single Ambig)
 &rst
  ixpk= 1716, nxpk= 20, iat=  -1,2063, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2065,2066, 695,
 &end
#
#  119 LYS  HG-         119 LYS  HA          5.00    (#   1717:20  Unique         3.52, 3.82 A)
 &rst
  ixpk= 1717, nxpk= 20, iat=  -1,1882, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1887,1888,
 &end
#
#   83 GLU  HG-          80 LYS  HA          5.00    (#   1719:20  Unique         4.65, 5.36 A)
 &rst
  ixpk= 1719, nxpk= 20, iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1343,1344,
 &end
#
#  136 LEU  HB-         136 LEU  HA          4.00    (#   1720:20  Unique         2.20, 2.67 A)
 &rst
  ixpk= 1720, nxpk= 20, iat=  -1,2137, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2139,2140,
 &end
#
#    0 AMB  20-2:1721   136 LEU  HA          3.00    (#   1721:20  Single Ambig)
 &rst
  ixpk= 1721, nxpk= 20, iat=  -1,2137, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2139,2140,2142,
 &end
#
#  140 VAL  MGX         136 LEU  HA          5.00    (#   1722:20  Unique         4.61, 6.65 A)
 &rst
  ixpk= 1722, nxpk= 20, iat=  -1,2137, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#  136 LEU  MDX         136 LEU  HA          3.00    (#   1723:20  Unique         2.15, 3.85 A)
 &rst
  ixpk= 1723, nxpk= 20, iat=  -1,2137, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  136 LEU  MDY         136 LEU  HA          4.00    (#   1724:20  Unique         2.15, 3.85 A)
 &rst
  ixpk= 1724, nxpk= 20, iat=  -1,2137, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  20-2:1728   111 VAL  HA          5.00    (#   1728:20  Single Ambig)
 &rst
  ixpk= 1728, nxpk= 20, iat=  -1,1752, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 584, 585,1733,1734,
 &end
#
#    0 AMB  20-2:1729     0 AMB  20-1:1729   4.00    (#   1729:20  Double Ambig)
 &rst
  ixpk= 1729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 702, 703, 704, 706, 707, 708,1756,1757,1758,1760,
      1761,1762,
 igr2=2063,1752,
 &end
#
#  111 VAL  MGX         111 VAL  HA          3.00    (#   1730:20  Unique         2.05, 3.34 A)
 &rst
  ixpk= 1730, nxpk= 20, iat=  -1,1752, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#    0 AMB  20-2:1732     0 AMB  20-1:1732   6.00    (#   1732:20  Double Ambig)
 &rst
  ixpk= 1732, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1893,1894,1286,1287,
 igr2=1882,1275,
 &end
#
#    4 ARG  HB-           4 ARG  HA          4.00    (#   1736:20  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1736, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  66,  67,
 &end
#
#    0 AMB  20-2:1737     4 ARG  HA          3.00    (#   1737:20  Single Ambig)
 &rst
  ixpk= 1737, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  66,  67,1927,1928,
 &end
#
#  139 ARG  HB-         136 LEU  HA          5.00    (#   1738:20  Unique         1.88, 2.56 A)
 &rst
  ixpk= 1738, nxpk= 20, iat=  -1,2137, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2195,2196,
 &end
#
#    0 AMB  20-2:1746     4 ARG  HA          4.00    (#   1746:20  Single Ambig)
 &rst
  ixpk= 1746, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  72,  73,  72,  73,
 &end
#
#    0 AMB  20-2:1747     4 ARG  HA          4.00    (#   1747:20  Single Ambig)
 &rst
  ixpk= 1747, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  69,  70,1927,1928,
 &end
#
#    4 ARG  HG+           4 ARG  HA          4.00    (#   1748:20  Unique         2.71, 3.52 A)
 &rst
  ixpk= 1748, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  69,  70,
 &end
#
#   29 GLU  HG-          29 GLU  HA          4.00    (#   1754:20  Unique         2.14, 3.13 A)
 &rst
  ixpk= 1754, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 467, 468,
 &end
#
#   29 GLU  HG+          29 GLU  HA          4.00    (#   1755:20  Unique         2.14, 3.13 A)
 &rst
  ixpk= 1755, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 467, 468,
 &end
#
#   29 GLU  HB+          29 GLU  HA          3.00    (#   1756:20  Unique         2.36, 2.71 A)
 &rst
  ixpk= 1756, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 464, 465,
 &end
#
#   29 GLU  HB-          29 GLU  HA          3.00    (#   1757:20  Unique         2.36, 2.71 A)
 &rst
  ixpk= 1757, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 464, 465,
 &end
#
#  119 LYS  HD-          29 GLU  HA          3.00    (#   1758:20  Unique         1.99, 2.65 A)
 &rst
  ixpk= 1758, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1890,1891,
 &end
#
#  119 LYS  HB+          29 GLU  HA          5.00    (#   1759:20  Unique         2.64, 3.91 A)
 &rst
  ixpk= 1759, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1884,1885,
 &end
#
#  119 LYS  HE+          29 GLU  HA          4.00    (#   1760:20  Unique         2.63, 3.98 A)
 &rst
  ixpk= 1760, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1893,1894,
 &end
#
#  100 HIS  HB-         100 HIS  HA          4.00    (#   1761:20  Unique         2.23, 2.72 A)
 &rst
  ixpk= 1761, nxpk= 20, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1587,1588,
 &end
#
#   43 LEU  HB+          43 LEU  HA          3.00    (#   1762:20  Unique         2.37, 2.74 A)
 &rst
  ixpk= 1762, nxpk= 20, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 697, 698,
 &end
#
#    0 AMB  20-2:1767    48 MET  HA          3.00    (#   1767:20  Single Ambig)
 &rst
  ixpk= 1767, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 822, 774, 775,
 &end
#
#   48 MET  ME           48 MET  HA          4.00    (#   1768:20  Unique         1.89, 2.54 A)
 &rst
  ixpk= 1768, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 781, 782, 783,
 &end
#
#   51 VAL  MGY          48 MET  HA          4.00    (#   1769:20  Unique         2.61, 4.51 A)
 &rst
  ixpk= 1769, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#   51 VAL  MGX          48 MET  HA          5.00    (#   1770:20  Unique         2.61, 4.51 A)
 &rst
  ixpk= 1770, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#    0 AMB  20-2:1772   135 MET  HA          6.00    (#   1772:20  Single Ambig)
 &rst
  ixpk= 1772, nxpk= 20, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2182,2183,2109,2110,
 &end
#
#    0 AMB  20-2:1773    43 LEU  HA          3.00    (#   1773:20  Single Ambig)
 &rst
  ixpk= 1773, nxpk= 20, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 697, 698,1770,1771,
 &end
#
#   48 MET  HG-          48 MET  HA          4.00    (#   1775:20  Unique         2.18, 3.06 A)
 &rst
  ixpk= 1775, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 777, 778,
 &end
#
#   48 MET  HB+          48 MET  HA          3.00    (#   1776:20  Unique         2.81, 2.90 A)
 &rst
  ixpk= 1776, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 774, 775,
 &end
#
#  144 LEU  HG          144 LEU  HA          3.00    (#   1778:20  Unique         2.85, 2.96 A)
 &rst
  ixpk= 1778, nxpk= 20, iat=2292,2287, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   43 LEU  MDX          43 LEU  HA          3.00    (#   1779:20  Unique         1.99, 3.83 A)
 &rst
  ixpk= 1779, nxpk= 20, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#  102 LEU  HB+         102 LEU  HA          4.00    (#   1780:20  Unique         2.32, 2.63 A)
 &rst
  ixpk= 1780, nxpk= 20, iat=  -1,1612, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1614,1615,
 &end
#
#    0 AMB  20-2:1781   144 LEU  HA          4.00    (#   1781:20  Single Ambig)
 &rst
  ixpk= 1781, nxpk= 20, iat=  -1,2287, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 498, 499,2271,
 &end
#
#  144 LEU  HB-         144 LEU  HA          3.00    (#   1782:20  Unique         2.37, 2.73 A)
 &rst
  ixpk= 1782, nxpk= 20, iat=  -1,2287, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2289,2290,
 &end
#
#  144 LEU  MDY         144 LEU  HA          4.00    (#   1784:20  Unique         2.00, 3.95 A)
 &rst
  ixpk= 1784, nxpk= 20, iat=  -1,2287, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#  136 LEU  MDY         139 ARG  HA          5.00    (#   1785:20  Unique         5.13, 7.09 A)
 &rst
  ixpk= 1785, nxpk= 20, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#   25 GLN  HG+          25 GLN  HA          3.00    (#   1790:20  Unique         2.10, 2.66 A)
 &rst
  ixpk= 1790, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 405, 406,
 &end
#
#  103 THR  MG2         109 GLU  HA          6.00    (#   1791:20  Unique         4.77, 6.40 A)
 &rst
  ixpk= 1791, nxpk= 20, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1635,1636,1637,
 &end
#
#   73 GLU  HB-          73 GLU  HA          5.00    (#   1793:20  Unique         2.35, 2.63 A)
 &rst
  ixpk= 1793, nxpk= 20, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1186,1187,
 &end
#
#    0 AMB  20-2:1794     0 AMB  20-1:1794   3.00    (#   1794:20  Double Ambig)
 &rst
  ixpk= 1794, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1225,1226, 152, 153,
 igr2=1184, 150,
 &end
#
#  139 ARG  HD-         139 ARG  HA          3.00    (#   1795:20  Unique         1.95, 2.73 A)
 &rst
  ixpk= 1795, nxpk= 20, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2201,2202,
 &end
#
#  139 ARG  HD+         139 ARG  HA          4.00    (#   1796:20  Unique         1.95, 2.73 A)
 &rst
  ixpk= 1796, nxpk= 20, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2201,2202,
 &end
#
#    0 AMB  20-2:1797     0 AMB  20-1:1797   3.00    (#   1797:20  Double Ambig)
 &rst
  ixpk= 1797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2249,2250, 152, 153,1186,1187,
 igr2=2193, 150,1184,
 &end
#
#  139 ARG  HG+         139 ARG  HA          3.00    (#   1798:20  Unique         2.28, 3.11 A)
 &rst
  ixpk= 1798, nxpk= 20, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2198,2199,
 &end
#
#    0 AMB  20-2:1799     0 AMB  20-1:1799   4.00    (#   1799:20  Double Ambig)
 &rst
  ixpk= 1799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=2195,2196, 188, 189, 190,
 igr2=2193, 150,
 &end
#
#    0 AMB  20-2:1801   102 LEU  HA          3.00    (#   1801:20  Single Ambig)
 &rst
  ixpk= 1801, nxpk= 20, iat=  -1,1612, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1659,1660,1661, 141, 142,
 &end
#
#  102 LEU  MDX         102 LEU  HA          4.00    (#   1802:20  Unique         1.99, 4.22 A)
 &rst
  ixpk= 1802, nxpk= 20, iat=  -1,1612, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#  102 LEU  MDY         102 LEU  HA          6.00    (#   1803:20  Unique         1.99, 4.22 A)
 &rst
  ixpk= 1803, nxpk= 20, iat=  -1,1612, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#    0 AMB  20-2:1804     0 AMB  20-1:1804   4.00    (#   1804:20  Double Ambig)
 &rst
  ixpk= 1804, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 155, 156,2321,2322,
 igr2=1612,2316,
 &end
#
#  146 GLU  HB-         146 GLU  HA          3.00    (#   1805:20  Unique         2.33, 2.67 A)
 &rst
  ixpk= 1805, nxpk= 20, iat=  -1,2316, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2318,2319,
 &end
#
#  146 GLU  HG-         146 GLU  HA          4.00    (#   1806:20  Unique         2.52, 3.48 A)
 &rst
  ixpk= 1806, nxpk= 20, iat=  -1,2316, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2321,2322,
 &end
#
#    0 AMB  20-2:1807    25 GLN  HA          3.00    (#   1807:20  Single Ambig)
 &rst
  ixpk= 1807, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 402, 403, 390, 391,
 &end
#
#   25 GLN  HB+          25 GLN  HA          3.00    (#   1808:20  Unique         2.54, 2.83 A)
 &rst
  ixpk= 1808, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 402, 403,
 &end
#
#  109 GLU  HG-         109 GLU  HA          3.00    (#   1810:20  Unique         2.06, 2.65 A)
 &rst
  ixpk= 1810, nxpk= 20, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1721,1722,
 &end
#
#  109 GLU  HG+         109 GLU  HA          4.00    (#   1811:20  Unique         2.06, 2.65 A)
 &rst
  ixpk= 1811, nxpk= 20, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1721,1722,
 &end
#
#  109 GLU  HB-         109 GLU  HA          3.00    (#   1812:20  Unique         2.52, 2.83 A)
 &rst
  ixpk= 1812, nxpk= 20, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1718,1719,
 &end
#
#    9 GLU  HG-           9 GLU  HA          4.00    (#   1813:20  Unique         2.52, 3.48 A)
 &rst
  ixpk= 1813, nxpk= 20, iat=  -1, 150, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 155, 156,
 &end
#
#    0 AMB  20-2:1814     0 AMB  20-1:1814   4.00    (#   1814:20  Double Ambig)
 &rst
  ixpk= 1814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1228,2252,2253,
 igr2=1184,2193,
 &end
#
#    0 AMB  20-2:1815   139 ARG  HA          5.00    (#   1815:20  Single Ambig)
 &rst
  ixpk= 1815, nxpk= 20, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2255,2256,1987,1988,
 &end
#
#    0 AMB  20-2:1816   139 ARG  HA          4.00    (#   1816:20  Single Ambig)
 &rst
  ixpk= 1816, nxpk= 20, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#    0 AMB  20-2:1817     0 AMB  20-1:1817   6.00    (#   1817:20  Double Ambig)
 &rst
  ixpk= 1817, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1619,1620,1621,1623,1624,1625,2221,2222,2223,2225,
      2226,2227,
 igr2= 150,2193,
 &end
#
#  136 LEU  MDY         139 ARG  HA          5.00    (#   1818:20  Unique         5.13, 7.09 A)
 &rst
  ixpk= 1818, nxpk= 20, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  20-2:1819     3 LEU  HA          3.00    (#   1819:20  Single Ambig)
 &rst
  ixpk= 1819, nxpk= 20, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=  47,  48,  50,
 &end
#
#    0 AMB  20-2:1820     3 LEU  HA          3.00    (#   1820:20  Single Ambig)
 &rst
  ixpk= 1820, nxpk= 20, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1944,1945,  47,  48,
 &end
#
#    3 LEU  MDX           3 LEU  HA          4.00    (#   1821:20  Unique         1.98, 3.89 A)
 &rst
  ixpk= 1821, nxpk= 20, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#   40 SER  HB+          40 SER  HA          3.00    (#   1825:20  Unique         2.38, 2.67 A)
 &rst
  ixpk= 1825, nxpk= 20, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 658, 659,
 &end
#
#   39 ILE  QD1          40 SER  HA          5.00    (#   1826:20  Unique         5.13, 5.99 A)
 &rst
  ixpk= 1826, nxpk= 20, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 648, 649, 650,
 &end
#
#  103 THR  MG2         104 ASP  HA          6.00    (#   1828:20  Unique         3.82, 5.59 A)
 &rst
  ixpk= 1828, nxpk= 20, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1635,1636,1637,
 &end
#
#    0 AMB  20-2:1829   102 LEU  HA          4.00    (#   1829:20  Single Ambig)
 &rst
  ixpk= 1829, nxpk= 20, iat=  -1,1612, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1614,1615, 138, 139,
 &end
#
#    0 AMB  20-2:1831     0 AMB  20-1:1831   4.00    (#   1831:20  Double Ambig)
 &rst
  ixpk= 1831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=  69,  70,1721,1722,  15,  16,  17,1966,1967,
 igr2=  45,1687,
 &end
#
#  123 LEU  HG            3 LEU  HA          4.00    (#   1832:20  Unique         1.92, 2.59 A)
 &rst
  ixpk= 1832, nxpk= 20, iat=1947,  45, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3 LEU  MDY           3 LEU  HA          3.00    (#   1833:20  Unique         1.98, 3.89 A)
 &rst
  ixpk= 1833, nxpk= 20, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  20-2:1835     0 AMB  20-1:1835   3.00    (#   1835:20  Double Ambig)
 &rst
  ixpk= 1835, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 911, 912, 911, 912,1647,1648,
 igr2= 909,1645,
 &end
#
#    0 AMB  20-2:1836    56 ASP  HA          4.00    (#   1836:20  Single Ambig)
 &rst
  ixpk= 1836, nxpk= 20, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 890, 891, 887, 888,
 &end
#
#    0 AMB  20-2:1840   107 GLU  HA          3.00    (#   1840:20  Single Ambig)
 &rst
  ixpk= 1840, nxpk= 20, iat=  -1,1687, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1692,1693,1689,1690,
 &end
#
#  123 LEU  HB+         123 LEU  HA          4.00    (#   1841:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 1841, nxpk= 20, iat=  -1,1942, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1944,1945,
 &end
#
#    0 AMB  20-2:1842   123 LEU  HA          5.00    (#   1842:20  Single Ambig)
 &rst
  ixpk= 1842, nxpk= 20, iat=  -1,1942, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1966,1967, 110, 111,1927,1928,
 &end
#
#  104 ASP  HA          107 GLU  HA          5.00    (#   1849:20  Unique         3.66, 4.15 A)
 &rst
  ixpk= 1849, nxpk= 20, iat=1645,1687, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  107 GLU  HB+         107 GLU  HA          3.00    (#   1850:20  Unique         2.62, 2.85 A)
 &rst
  ixpk= 1850, nxpk= 20, iat=  -1,1687, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1689,1690,
 &end
#
#    0 AMB  20-2:1851   123 LEU  HA          6.00    (#   1851:20  Single Ambig)
 &rst
  ixpk= 1851, nxpk= 20, iat=  -1,1942, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1927,1928,  15,  16,  17,
 &end
#
#  123 LEU  MDY         123 LEU  HA          4.00    (#   1852:20  Unique         1.91, 3.60 A)
 &rst
  ixpk= 1852, nxpk= 20, iat=  -1,1942, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#  141 ASN  HB-         141 ASN  HA          4.00    (#   1860:20  Unique         2.40, 2.76 A)
 &rst
  ixpk= 1860, nxpk= 20, iat=  -1,2233, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2235,2236,
 &end
#
#  141 ASN  HB+         141 ASN  HA          3.00    (#   1861:20  Unique         2.40, 2.76 A)
 &rst
  ixpk= 1861, nxpk= 20, iat=  -1,2233, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2235,2236,
 &end
#
#  144 LEU  MDY         141 ASN  HA          3.00    (#   1862:20  Unique         1.96, 3.86 A)
 &rst
  ixpk= 1862, nxpk= 20, iat=  -1,2233, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:1863    61 GLN  HA          3.00    (#   1863:20  Single Ambig)
 &rst
  ixpk= 1863, nxpk= 20, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 998, 999, 995, 996,
 &end
#
#    0 AMB  20-2:1864    61 GLN  HA          4.00    (#   1864:20  Single Ambig)
 &rst
  ixpk= 1864, nxpk= 20, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 995, 996, 479, 480,
 &end
#
#    0 AMB  20-2:1865    61 GLN  HA          4.00    (#   1865:20  Single Ambig)
 &rst
  ixpk= 1865, nxpk= 20, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 482, 483, 485, 486,
 &end
#
#  144 LEU  MDX         141 ASN  HA          3.00    (#   1882:20  Unique         1.96, 3.86 A)
 &rst
  ixpk= 1882, nxpk= 20, iat=  -1,2233, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#   71 ARG  HD-          71 ARG  HA          5.00    (#   1886:20  Unique         2.34, 4.31 A)
 &rst
  ixpk= 1886, nxpk= 20, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1157,1158,
 &end
#
#    0 AMB  20-2:1887    71 ARG  HA          3.00    (#   1887:20  Single Ambig)
 &rst
  ixpk= 1887, nxpk= 20, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1151,1152,1123,1124,
 &end
#
#    0 AMB  20-2:1888    71 ARG  HA          3.00    (#   1888:20  Single Ambig)
 &rst
  ixpk= 1888, nxpk= 20, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1154,1155,1151,1152,
 &end
#
#   96 VAL  MGY          95 PHE  HA          5.00    (#   1891:20  Unique         3.30, 5.54 A)
 &rst
  ixpk= 1891, nxpk= 20, iat=  -1,1514, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1538,1539,1540,1542,1543,1544,
 &end
#
#   88 HIS  HB-          88 HIS  HA          4.00    (#   1898:20  Unique         2.30, 2.76 A)
 &rst
  ixpk= 1898, nxpk= 20, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1404,1405,
 &end
#
#   71 ARG  HG-          71 ARG  HA          3.00    (#   1899:20  Unique         2.23, 2.56 A)
 &rst
  ixpk= 1899, nxpk= 20, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1154,1155,
 &end
#
#  111 VAL  MGY          71 ARG  HA          6.00    (#   1900:20  Unique         5.28, 7.60 A)
 &rst
  ixpk= 1900, nxpk= 20, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#   74 ASP  HB-          74 ASP  HA          3.00    (#   1904:20  Unique         2.37, 2.82 A)
 &rst
  ixpk= 1904, nxpk= 20, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1201,1202,
 &end
#
#   74 ASP  HB+          74 ASP  HA          3.00    (#   1910:20  Unique         2.37, 2.82 A)
 &rst
  ixpk= 1910, nxpk= 20, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1201,1202,
 &end
#
#   90 ILE  HG1+         85 ALA  HA          5.00    (#   1911:20  Unique         2.06, 3.12 A)
 &rst
  ixpk= 1911, nxpk= 20, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1439,1440,
 &end
#
#    0 AMB  20-2:1912    85 ALA  HA          5.00    (#   1912:20  Single Ambig)
 &rst
  ixpk= 1912, nxpk= 20, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1506,1507,1508, 283, 284, 285, 287, 288, 289,
 &end
#
#   85 ALA  MB           85 ALA  HA          3.00    (#   1916:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 1916, nxpk= 20, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1369,1370,1371,
 &end
#
#    0 AMB  20-2:1917    85 ALA  HA          5.00    (#   1917:20  Single Ambig)
 &rst
  ixpk= 1917, nxpk= 20, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1435,1436,1437,1301,1302,1303,
 &end
#
#   90 ILE  QD1          85 ALA  HA          4.00    (#   1918:20  Unique         1.94, 2.89 A)
 &rst
  ixpk= 1918, nxpk= 20, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1442,1443,1444,
 &end
#
#  101 ALA  MB          101 ALA  HA          3.00    (#   1924:20  Unique         2.26, 2.66 A)
 &rst
  ixpk= 1924, nxpk= 20, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1604,1605,1606,
 &end
#
#    5 GLN  HB+           1 MET  HA          5.00    (#   1925:20  Unique         1.94, 4.37 A)
 &rst
  ixpk= 1925, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  90,  91,
 &end
#
#    1 MET  HB+           1 MET  HA          3.00    (#   1926:20  Unique         2.38, 2.72 A)
 &rst
  ixpk= 1926, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=   8,   9,
 &end
#
#    0 AMB  20-2:1927     1 MET  HA          5.00    (#   1927:20  Single Ambig)
 &rst
  ixpk= 1927, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=  15,  16,  17,  25,  26,
 &end
#
#    2 LYS  HG-           1 MET  HA          5.00    (#   1928:20  Unique         2.89, 4.49 A)
 &rst
  ixpk= 1928, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  28,  29,
 &end
#
#   89 ASP  HB-          89 ASP  HA          3.00    (#   1933:20  Unique         2.44, 2.80 A)
 &rst
  ixpk= 1933, nxpk= 20, iat=  -1,1419, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1421,1422,
 &end
#
#    0 AMB  20-2:1934     0 AMB  20-1:1934   3.00    (#   1934:20  Double Ambig)
 &rst
  ixpk= 1934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1421,1422, 155, 156,
 igr2=1419,1602,
 &end
#
#    0 AMB  20-2:1935     0 AMB  20-1:1935   4.00    (#   1935:20  Double Ambig)
 &rst
  ixpk= 1935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1454,1455,1456,1635,1636,1637,
 igr2= 836,1419,1602,
 &end
#
#  104 ASP  HB-         101 ALA  HA          5.00    (#   1936:20  Unique         2.89, 3.92 A)
 &rst
  ixpk= 1936, nxpk= 20, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1647,1648,
 &end
#
#  104 ASP  HB+         101 ALA  HA          4.00    (#   1937:20  Unique         2.89, 3.92 A)
 &rst
  ixpk= 1937, nxpk= 20, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1647,1648,
 &end
#
#    0 AMB  20-2:1941     1 MET  HA          4.00    (#   1941:20  Single Ambig)
 &rst
  ixpk= 1941, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  93,  94,  11,  12,
 &end
#
#  123 LEU  MDX           1 MET  HA          5.00    (#   1942:20  Unique         4.50, 6.89 A)
 &rst
  ixpk= 1942, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#   14 LYS  HE+          14 LYS  HA          5.00    (#   1944:20  Unique         4.94, 5.40 A)
 &rst
  ixpk= 1944, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 231, 232,
 &end
#
#   14 LYS  HB+          14 LYS  HA          3.00    (#   1945:20  Unique         2.33, 2.71 A)
 &rst
  ixpk= 1945, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 222, 223,
 &end
#
#   14 LYS  HB-          14 LYS  HA          3.00    (#   1946:20  Unique         2.33, 2.71 A)
 &rst
  ixpk= 1946, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 222, 223,
 &end
#
#   14 LYS  HG+          14 LYS  HA          3.00    (#   1947:20  Unique         2.36, 3.07 A)
 &rst
  ixpk= 1947, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 225, 226,
 &end
#
#   15 ALA  MB           14 LYS  HA          5.00    (#   1948:20  Unique         4.61, 5.56 A)
 &rst
  ixpk= 1948, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 244, 245, 246,
 &end
#
#    0 AMB  20-2:1949    26 LEU  HA          3.00    (#   1949:20  Single Ambig)
 &rst
  ixpk= 1949, nxpk= 20, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 422, 419, 420, 419, 420,
 &end
#
#    0 AMB  20-2:1950    26 LEU  HA          4.00    (#   1950:20  Single Ambig)
 &rst
  ixpk= 1950, nxpk= 20, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 424, 425, 426, 428, 429, 430, 335, 336, 337, 339,
       340, 341,
 &end
#
#   51 VAL  MGY          52 ASN  HA          4.00    (#   1951:20  Unique         2.92, 4.93 A)
 &rst
  ixpk= 1951, nxpk= 20, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#  105 ALA  MB          105 ALA  HA          3.00    (#   1956:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 1956, nxpk= 20, iat=  -1,1657, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1659,1660,1661,
 &end
#
#    0 AMB  20-2:1957     0 AMB  20-1:1957   4.00    (#   1957:20  Double Ambig)
 &rst
  ixpk= 1957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1635,1636,1637,1454,1455,1456,1614,1615,
 igr2=1702,1419,
 &end
#
#    0 AMB  20-2:1958     0 AMB  20-1:1958   4.00    (#   1958:20  Double Ambig)
 &rst
  ixpk= 1958, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1431, 361,
 igr2= 836, 417,
 &end
#
#   55 ARG  HB-          52 ASN  HA          4.00    (#   1959:20  Unique         2.06, 3.34 A)
 &rst
  ixpk= 1959, nxpk= 20, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 887, 888,
 &end
#
#    0 AMB  20-2:1960    52 ASN  HA          6.00    (#   1960:20  Single Ambig)
 &rst
  ixpk= 1960, nxpk= 20, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 820, 867, 868,
 &end
#
#  108 ASN  HB+         108 ASN  HA          3.00    (#   1967:20  Unique         2.28, 2.75 A)
 &rst
  ixpk= 1967, nxpk= 20, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1704,1705,
 &end
#
#   18 ASN  HB-          18 ASN  HA          4.00    (#   1972:20  Unique         2.30, 2.80 A)
 &rst
  ixpk= 1972, nxpk= 20, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 297, 298,
 &end
#
#   18 ASN  HB+          18 ASN  HA          3.00    (#   1973:20  Unique         2.30, 2.80 A)
 &rst
  ixpk= 1973, nxpk= 20, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 297, 298,
 &end
#
#   52 ASN  HB+          52 ASN  HA          3.00    (#   1974:20  Unique         2.28, 2.56 A)
 &rst
  ixpk= 1974, nxpk= 20, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 838, 839,
 &end
#
#    0 AMB  20-2:1975    52 ASN  HA          6.00    (#   1975:20  Single Ambig)
 &rst
  ixpk= 1975, nxpk= 20, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 820, 867, 868,
 &end
#
#   20 GLU  HG-          20 GLU  HA          5.00    (#   1976:20  Unique         2.05, 3.04 A)
 &rst
  ixpk= 1976, nxpk= 20, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 321, 322,
 &end
#
#   20 GLU  HG+          20 GLU  HA          5.00    (#   1977:20  Unique         2.05, 3.04 A)
 &rst
  ixpk= 1977, nxpk= 20, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 321, 322,
 &end
#
#   20 GLU  HB-          20 GLU  HA          3.00    (#   1978:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 1978, nxpk= 20, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 318, 319,
 &end
#
#    0 AMB  20-2:1979    20 GLU  HA          5.00    (#   1979:20  Single Ambig)
 &rst
  ixpk= 1979, nxpk= 20, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 335, 336, 337, 339, 340, 341, 335, 336, 337, 339,
       340, 341,
 &end
#
#    0 AMB  20-2:1980    20 GLU  HA          5.00    (#   1980:20  Single Ambig)
 &rst
  ixpk= 1980, nxpk= 20, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 254, 255,1514,
 &end
#
#   86 ALA  MB           86 ALA  HA          3.00    (#   1984:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1984, nxpk= 20, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1379,1380,1381,
 &end
#
#    6 PRO  HD+           5 GLN  HA          3.00    (#   1986:20  Unique         2.06, 2.36 A)
 &rst
  ixpk= 1986, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 104, 105,
 &end
#
#    6 PRO  HD-           5 GLN  HA          3.00    (#   1987:20  Unique         2.06, 2.36 A)
 &rst
  ixpk= 1987, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 104, 105,
 &end
#
#    0 AMB  20-2:1988     0 AMB  20-1:1988   5.00    (#   1988:20  Double Ambig)
 &rst
  ixpk= 1988, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=  93,  94,  11,  12,
 igr2=  88,  23,
 &end
#
#    5 GLN  HB+           5 GLN  HA          3.00    (#   1989:20  Unique         2.26, 2.69 A)
 &rst
  ixpk= 1989, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  90,  91,
 &end
#
#    5 GLN  HB-           5 GLN  HA          3.00    (#   1990:20  Unique         2.26, 2.69 A)
 &rst
  ixpk= 1990, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  90,  91,
 &end
#
#    3 LEU  MDX           2 LYS  HA          6.00    (#   1991:20  Unique         3.39, 5.31 A)
 &rst
  ixpk= 1991, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    1 MET  HA            0 AMB  20-1:1997   5.00    (#   1997:20  Single Ambig)
 &rst
  ixpk= 1997, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  88,  23,
 &end
#
#    2 LYS  HB+           2 LYS  HA          3.00    (#   1998:20  Unique         2.29, 2.48 A)
 &rst
  ixpk= 1998, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  25,  26,
 &end
#
#    2 LYS  HB-           2 LYS  HA          3.00    (#   1999:20  Unique         2.29, 2.48 A)
 &rst
  ixpk= 1999, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  25,  26,
 &end
#
#    2 LYS  HG-           2 LYS  HA          4.00    (#   2000:20  Unique         2.86, 3.71 A)
 &rst
  ixpk= 2000, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  28,  29,
 &end
#
#    0 AMB  20-2:2002     2 LYS  HA          4.00    (#   2002:20  Single Ambig)
 &rst
  ixpk= 2002, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1949,1950,1951,1953,1954,1955,  52,  53,  54,  56,
        57,  58,
 &end
#
#    8 PRO  HD+           7 MET  HA          4.00    (#   2003:20  Unique         2.04, 2.19 A)
 &rst
  ixpk= 2003, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 135, 136,
 &end
#
#    8 PRO  HD-           7 MET  HA          4.00    (#   2004:20  Unique         2.04, 2.19 A)
 &rst
  ixpk= 2004, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 135, 136,
 &end
#
#    0 AMB  20-2:2005     7 MET  HA          4.00    (#   2005:20  Single Ambig)
 &rst
  ixpk= 2005, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 121, 122, 170,
 &end
#
#    7 MET  ME            7 MET  HA          4.00    (#   2006:20  Unique         3.44, 4.46 A)
 &rst
  ixpk= 2006, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 128, 129, 130,
 &end
#
#  135 MET  ME          127 GLN  HA          6.00    (#   2010:20  Unique         4.45, 5.56 A)
 &rst
  ixpk= 2010, nxpk= 20, iat=  -1,2022, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2129,2130,2131,
 &end
#
#  127 GLN  HB+         127 GLN  HA          3.00    (#   2011:20  Unique         2.45, 2.84 A)
 &rst
  ixpk= 2011, nxpk= 20, iat=  -1,2022, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2024,2025,
 &end
#
#  128 ALA  MB          127 GLN  HA          5.00    (#   2012:20  Unique         4.02, 4.84 A)
 &rst
  ixpk= 2012, nxpk= 20, iat=  -1,2022, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2041,2042,2043,
 &end
#
#   10 LEU  MDY          10 LEU  HA          3.00    (#   2024:20  Unique         1.98, 3.83 A)
 &rst
  ixpk= 2024, nxpk= 20, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 172, 173, 174, 176, 177, 178,
 &end
#
#    0 AMB  20-2:2028    10 LEU  HA          5.00    (#   2028:20  Single Ambig)
 &rst
  ixpk= 2028, nxpk= 20, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 188, 189, 190, 138, 139,
 &end
#
#  102 LEU  MDX          10 LEU  HA          3.00    (#   2029:20  Unique         1.99, 4.71 A)
 &rst
  ixpk= 2029, nxpk= 20, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#   10 LEU  MDX          10 LEU  HA          4.00    (#   2030:20  Unique         1.98, 3.83 A)
 &rst
  ixpk= 2030, nxpk= 20, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 172, 173, 174, 176, 177, 178,
 &end
#
#  102 LEU  MDY          10 LEU  HA          5.00    (#   2031:20  Unique         1.99, 4.71 A)
 &rst
  ixpk= 2031, nxpk= 20, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#    9 GLU  HA           10 LEU  HA          6.00    (#   2032:20  Unique         4.39, 4.57 A)
 &rst
  ixpk= 2032, nxpk= 20, iat= 150, 165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2033    47 ALA  HA          4.00    (#   2033:20  Single Ambig)
 &rst
  ixpk= 2033, nxpk= 20, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 749, 750, 791, 792,
 &end
#
#   49 PRO  HB+          47 ALA  HA          6.00    (#   2035:20  Unique         6.07, 6.58 A)
 &rst
  ixpk= 2035, nxpk= 20, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 794, 795,
 &end
#
#    0 AMB  20-2:2037   145 ALA  HA          5.00    (#   2037:20  Single Ambig)
 &rst
  ixpk= 2037, nxpk= 20, iat=  -1,2306, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2287,2247,
 &end
#
#  145 ALA  MB          145 ALA  HA          3.00    (#   2038:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 2038, nxpk= 20, iat=  -1,2306, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2308,2309,2310,
 &end
#
#    0 AMB  20-2:2039   145 ALA  HA          6.00    (#   2039:20  Single Ambig)
 &rst
  ixpk= 2039, nxpk= 20, iat=  -1,2306, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2350,2351,2318,2319,
 &end
#
#  132 GLY  HA-          47 ALA  HA          5.00    (#   2040:20  Unique         2.25, 2.80 A)
 &rst
  ixpk= 2040, nxpk= 20, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2074,2075,
 &end
#
#    0 AMB  20-2:2041    47 ALA  HA          4.00    (#   2041:20  Single Ambig)
 &rst
  ixpk= 2041, nxpk= 20, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 805, 806, 808, 809,
 &end
#
#   47 ALA  MB           47 ALA  HA          3.00    (#   2042:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 2042, nxpk= 20, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 764, 765, 766,
 &end
#
#  144 LEU  HB+         145 ALA  HA          5.00    (#   2043:20  Unique         4.27, 4.49 A)
 &rst
  ixpk= 2043, nxpk= 20, iat=  -1,2306, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2289,2290,
 &end
#
#  144 LEU  MDX         145 ALA  HA          6.00    (#   2044:20  Unique         6.17, 7.18 A)
 &rst
  ixpk= 2044, nxpk= 20, iat=  -1,2306, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#   16 TRP  HB+          15 ALA  HA          5.00    (#   2056:20  Unique         4.50, 5.14 A)
 &rst
  ixpk= 2056, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 254, 255,
 &end
#
#   15 ALA  MB           15 ALA  HA          3.00    (#   2060:20  Unique         2.24, 2.66 A)
 &rst
  ixpk= 2060, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 244, 245, 246,
 &end
#
#   78 PRO  HA           78 PRO  HD+         6.00    (#   2065:20  Unique         3.79, 3.88 A)
 &rst
  ixpk= 2065, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1253,1254,
 &end
#
#   78 PRO  HG+          78 PRO  HD+         4.00    (#   2068:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1256,1257,
 igr2=1253,1254,
 &end
#
#   78 PRO  HG-          78 PRO  HD+         4.00    (#   2069:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1256,1257,
 igr2=1253,1254,
 &end
#
#   78 PRO  HB+          78 PRO  HD+         4.00    (#   2072:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 2072, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1259,1260,
 igr2=1253,1254,
 &end
#
#   78 PRO  HA           78 PRO  HD+         6.00    (#   2073:20  Unique         3.79, 3.88 A)
 &rst
  ixpk= 2073, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1253,1254,
 &end
#
#   78 PRO  HG+          78 PRO  HD-         3.00    (#   2074:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1256,1257,
 igr2=1253,1254,
 &end
#
#    8 PRO  HB-           8 PRO  HD+         6.00    (#   2075:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 2075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 141, 142,
 igr2= 135, 136,
 &end
#
#    0 AMB  20-2:2077     0 AMB  20-1:2077   4.00    (#   2077:20  Double Ambig)
 &rst
  ixpk= 2077, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 170,  15,  16,  17,
 igr2= 135, 136, 135, 136,
 &end
#
#    7 MET  HA            8 PRO  HD-         4.00    (#   2078:20  Unique         2.04, 2.19 A)
 &rst
  ixpk= 2078, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 135, 136,
 &end
#
#    0 AMB  20-2:2080     8 PRO  HD-         4.00    (#   2080:20  Single Ambig)
 &rst
  ixpk= 2080, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 170,  15,  16,  17,
 igr2= 135, 136,
 &end
#
#    8 PRO  HG-           8 PRO  HD-         4.00    (#   2081:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2081, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 138, 139,
 igr2= 135, 136,
 &end
#
#    7 MET  HG-           8 PRO  HD-         5.00    (#   2082:20  Unique         3.78, 5.05 A)
 &rst
  ixpk= 2082, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 124, 125,
 igr2= 135, 136,
 &end
#
#    8 PRO  HG+           8 PRO  HD-         5.00    (#   2083:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2083, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 138, 139,
 igr2= 135, 136,
 &end
#
#    0 AMB  20-2:2084     0 AMB  20-1:2084   5.00    (#   2084:20  Double Ambig)
 &rst
  ixpk= 2084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=1244,1245, 135, 136,
 igr2=1253,1254, 104, 105,
 &end
#
#    8 PRO  HG-           8 PRO  HD+         4.00    (#   2085:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 138, 139,
 igr2= 135, 136,
 &end
#
#    7 MET  HA            8 PRO  HD+         3.00    (#   2086:20  Unique         2.04, 2.19 A)
 &rst
  ixpk= 2086, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 135, 136,
 &end
#
#    7 MET  HG-           8 PRO  HD+         5.00    (#   2087:20  Unique         3.78, 5.05 A)
 &rst
  ixpk= 2087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 124, 125,
 igr2= 135, 136,
 &end
#
#    8 PRO  HG+           8 PRO  HD+         5.00    (#   2088:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2088, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 138, 139,
 igr2= 135, 136,
 &end
#
#    8 PRO  HB-           8 PRO  HD-         6.00    (#   2089:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 2089, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 141, 142,
 igr2= 135, 136,
 &end
#
#    5 GLN  HA            6 PRO  HD+         3.00    (#   2095:20  Unique         2.06, 2.36 A)
 &rst
  ixpk= 2095, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 104, 105,
 &end
#
#  123 LEU  HB-           6 PRO  HD+         6.00    (#   2097:20  Unique         3.68, 5.22 A)
 &rst
  ixpk= 2097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1944,1945,
 igr2= 104, 105,
 &end
#
#   45 LYS  HD-          49 PRO  HD+         6.00    (#   2098:20  Unique         5.27, 6.38 A)
 &rst
  ixpk= 2098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 733, 734,
 igr2= 788, 789,
 &end
#
#    0 AMB  20-2:2099     0 AMB  20-1:2099   5.00    (#   2099:20  Double Ambig)
 &rst
  ixpk= 2099, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 808, 809,  93,  94,
 igr2= 788, 789, 104, 105,
 &end
#
#    5 GLN  HA            6 PRO  HD-         3.00    (#   2100:20  Unique         2.06, 2.36 A)
 &rst
  ixpk= 2100, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 104, 105,
 &end
#
#   48 MET  HB+          49 PRO  HD+         3.00    (#   2103:20  Unique         1.83, 2.69 A)
 &rst
  ixpk= 2103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 774, 775,
 igr2= 788, 789,
 &end
#
#   49 PRO  HA           49 PRO  HD-         4.00    (#   2108:20  Unique         3.79, 3.88 A)
 &rst
  ixpk= 2108, nxpk= 20, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 788, 789,
 &end
#
#    0 AMB  20-2:2109     0 AMB  20-1:2109   4.00    (#   2109:20  Double Ambig)
 &rst
  ixpk= 2109, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 747,1562,2074,2075,
 igr2= 788, 789,1134,1135,
 &end
#
#   30 LYS  HB-          31 PRO  HD-         3.00    (#   2117:20  Unique         1.85, 3.09 A)
 &rst
  ixpk= 2117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 479, 480,
 igr2= 498, 499,
 &end
#
#    0 AMB  20-2:2121     0 AMB  20-1:2121   4.00    (#   2121:20  Double Ambig)
 &rst
  ixpk= 2121, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1= 702, 703, 704, 706, 707, 708,1538,1539,1540,1542,
      1543,1544,1756,1757,1758,1760,1761,1762,
 igr2=1767,1768,1134,1135,
 &end
#
#   92 GLN  HA            0 AMB  20-1:2130   3.00    (#   2130:20  Single Ambig)
 &rst
  ixpk= 2130, nxpk= 20, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1480,1481,1480,1481,
 &end
#
#    0 AMB  20-2:2133    31 PRO  HD-         5.00    (#   2133:20  Single Ambig)
 &rst
  ixpk= 2133, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1884,1885, 482, 483, 485, 486,
 igr2= 498, 499,
 &end
#
#   44 CYS  HA          112 PRO  HD+         6.00    (#   2137:20  Unique         4.31, 5.48 A)
 &rst
  ixpk= 2137, nxpk= 20, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1767,1768,
 &end
#
#    0 AMB  20-2:2140     0 AMB  20-1:2140   3.00    (#   2140:20  Double Ambig)
 &rst
  ixpk= 2140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 479, 480,1012,1013, 501, 502,
 igr2= 498, 499, 498, 499, 498, 499,
 &end
#
#   30 LYS  HB-          31 PRO  HD+         5.00    (#   2141:20  Unique         1.85, 3.09 A)
 &rst
  ixpk= 2141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 479, 480,
 igr2= 498, 499,
 &end
#
#    0 AMB  20-2:2142     0 AMB  20-1:2142   5.00    (#   2142:20  Double Ambig)
 &rst
  ixpk= 2142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=1884,1885, 482, 483, 485, 486,
 igr2= 498, 499, 498, 499, 498, 499,
 &end
#
#  144 LEU  MDX          31 PRO  HD+         4.00    (#   2143:20  Unique         2.06, 4.50 A)
 &rst
  ixpk= 2143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2= 498, 499,
 &end
#
#   65 VAL  HA            0 AMB  20-1:2147   6.00    (#   2147:20  Single Ambig)
 &rst
  ixpk= 2147, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1480,1481,1480,1481,
 &end
#
#    0 AMB  20-2:2149     0 AMB  20-1:2149   4.00    (#   2149:20  Double Ambig)
 &rst
  ixpk= 2149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1486,1487,1486,1487,1486,1487,
 igr2=1480,1481,1480,1481,1480,1481,
 &end
#
#    0 AMB  20-2:2150     0 AMB  20-1:2150   3.00    (#   2150:20  Double Ambig)
 &rst
  ixpk= 2150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1466,1467,1483,1484,
 igr2=1480,1481,1480,1481,
 &end
#
#   65 VAL  MGX           0 AMB  20-1:2151   5.00    (#   2151:20  Single Ambig)
 &rst
  ixpk= 2151, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1063,1064,1065,1067,1068,1069,
 igr2=1480,1481,1480,1481,
 &end
#
#    0 AMB  20-2:2152     0 AMB  20-1:2152   6.00    (#   2152:20  Double Ambig)
 &rst
  ixpk= 2152, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.74, r4=14.24,
 igr1= 335, 336, 337, 339, 340, 341, 335, 336, 337, 339,
       340, 341, 424, 425, 426, 428, 429, 430,
 igr2=1480,1481,1480,1481,1480,1481,1480,1481,
 &end
#
#  144 LEU  MDX          31 PRO  HD-         4.00    (#   2153:20  Unique         2.06, 4.50 A)
 &rst
  ixpk= 2153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2= 498, 499,
 &end
#
#    0 AMB  20-2:2155     0 AMB  20-1:2155   3.00    (#   2155:20  Double Ambig)
 &rst
  ixpk= 2155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 697, 698,1770,1771,1770,1771,
 igr2=1767,1768,1767,1768,1767,1768,
 &end
#
#   43 LEU  MDY         112 PRO  HD+         5.00    (#   2156:20  Unique         2.53, 5.47 A)
 &rst
  ixpk= 2156, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2=1767,1768,
 &end
#
#    0 AMB  20-2:2157     0 AMB  20-1:2157   5.00    (#   2157:20  Double Ambig)
 &rst
  ixpk= 2157, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1= 702, 703, 704, 706, 707, 708,1756,1757,1758,1760,
      1761,1762,
 igr2=1767,1768,1767,1768,
 &end
#
#   43 LEU  HB+         112 PRO  HD+         5.00    (#   2160:20  Unique         2.04, 3.86 A)
 &rst
  ixpk= 2160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 697, 698,
 igr2=1767,1768,
 &end
#
#   38 SER  HB-         112 PRO  HD+         5.00    (#   2161:20  Unique         4.87, 6.86 A)
 &rst
  ixpk= 2161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 628, 629,
 igr2=1767,1768,
 &end
#
#    0 AMB  20-2:2163    66 ALA  HA          6.00    (#   2163:20  Single Ambig)
 &rst
  ixpk= 2163, nxpk= 20, iat=  -1,1075, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1=1063,1064,1065,1067,1068,1069,1506,1507,1508, 534,
       535, 536, 538, 539, 540,
 &end
#
#   66 ALA  MB           66 ALA  HA          3.00    (#   2164:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 2164, nxpk= 20, iat=  -1,1075, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1077,1078,1079,
 &end
#
#   34 ILE  QG2          66 ALA  HA          5.00    (#   2165:20  Unique         3.64, 5.16 A)
 &rst
  ixpk= 2165, nxpk= 20, iat=  -1,1075, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 550, 551, 552,
 &end
#
#   67 VAL  MGX          66 ALA  HA          5.00    (#   2166:20  Unique         3.22, 5.27 A)
 &rst
  ixpk= 2166, nxpk= 20, iat=  -1,1075, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#    0 AMB  20-2:2170    62 LEU  HB-         5.00    (#   2170:20  Single Ambig)
 &rst
  ixpk= 2170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 504, 505, 945, 946,
 igr2=1012,1013,
 &end
#
#   58 TYR  HB-          62 LEU  HB-         5.00    (#   2171:20  Unique         3.47, 5.46 A)
 &rst
  ixpk= 2171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 945, 946,
 igr2=1012,1013,
 &end
#
#   62 LEU  HG           62 LEU  HB-         4.00    (#   2172:20  Unique         2.33, 2.72 A)
 &rst
  ixpk= 2172, nxpk= 20, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1012,1013,
 &end
#
#   62 LEU  MDY          62 LEU  HB-         3.00    (#   2174:20  Unique         2.01, 3.32 A)
 &rst
  ixpk= 2174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1017,1018,1019,1021,1022,1023,
 igr2=1012,1013,
 &end
#
#  144 LEU  MDY          62 LEU  HB-         5.00    (#   2175:20  Unique         1.99, 4.18 A)
 &rst
  ixpk= 2175, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2=1012,1013,
 &end
#
#   58 TYR  HB-          62 LEU  HB+         5.00    (#   2176:20  Unique         3.47, 5.46 A)
 &rst
  ixpk= 2176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 945, 946,
 igr2=1012,1013,
 &end
#
#   62 LEU  HG           62 LEU  HB+         4.00    (#   2178:20  Unique         2.33, 2.72 A)
 &rst
  ixpk= 2178, nxpk= 20, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1012,1013,
 &end
#
#   62 LEU  MDY          62 LEU  HB+         3.00    (#   2179:20  Unique         2.01, 3.32 A)
 &rst
  ixpk= 2179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1017,1018,1019,1021,1022,1023,
 igr2=1012,1013,
 &end
#
#    0 AMB  20-2:2180     0 AMB  20-1:2180   5.00    (#   2180:20  Double Ambig)
 &rst
  ixpk= 2180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 504, 505, 945, 946,
 igr2=1012,1013,1012,1013,
 &end
#
#  144 LEU  MDY          62 LEU  HB+         5.00    (#   2181:20  Unique         1.99, 4.18 A)
 &rst
  ixpk= 2181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2=1012,1013,
 &end
#
#   82 LYS  HB+          79 GLY  HA+         4.00    (#   2182:20  Unique         2.88, 4.41 A)
 &rst
  ixpk= 2182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1318,1319,
 igr2=1268,1269,
 &end
#
#   82 LYS  HB+          79 GLY  HA-         4.00    (#   2185:20  Unique         2.88, 4.41 A)
 &rst
  ixpk= 2185, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1318,1319,
 igr2=1268,1269,
 &end
#
#    0 AMB  20-2:2190   132 GLY  HA-         5.00    (#   2190:20  Single Ambig)
 &rst
  ixpk= 2190, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 791, 792, 822,
 igr2=2074,2075,
 &end
#
#   49 PRO  HG-         132 GLY  HA+         5.00    (#   2191:20  Unique         5.57, 6.79 A)
 &rst
  ixpk= 2191, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 791, 792,
 igr2=2074,2075,
 &end
#
#  129 GLY  HA+         130 GLY  HA+         6.00    (#   2196:20  Unique         4.36, 4.68 A)
 &rst
  ixpk= 2196, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2049,2050,
 igr2=2056,2057,
 &end
#
#  133 MET  HA          130 GLY  HA+         6.00    (#   2197:20  Unique         2.56, 4.69 A)
 &rst
  ixpk= 2197, nxpk= 20, iat=2081,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2056,2057,
 &end
#
#  129 GLY  HA+         130 GLY  HA-         6.00    (#   2201:20  Unique         4.36, 4.68 A)
 &rst
  ixpk= 2201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2049,2050,
 igr2=2056,2057,
 &end
#
#    0 AMB  20-2:2202   130 GLY  HA-         5.00    (#   2202:20  Single Ambig)
 &rst
  ixpk= 2202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=2083,2084,1770,1771,1770,1771, 697, 698,
 igr2=2056,2057,
 &end
#
#   27 ILE  HG1+        121 GLY  HA-         5.00    (#   2208:20  Unique         2.40, 4.47 A)
 &rst
  ixpk= 2208, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 444, 445,
 igr2=1918,1919,
 &end
#
#   27 ILE  QD1         121 GLY  HA-         4.00    (#   2209:20  Unique         1.99, 3.59 A)
 &rst
  ixpk= 2209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 447, 448, 449,
 igr2=1918,1919,
 &end
#
#    7 MET  ME          121 GLY  HA-         5.00    (#   2210:20  Unique         1.92, 3.44 A)
 &rst
  ixpk= 2210, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 128, 129, 130,
 igr2=1918,1919,
 &end
#
#  129 GLY  HA+         130 GLY  HA+         6.00    (#   2211:20  Unique         4.36, 4.68 A)
 &rst
  ixpk= 2211, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2049,2050,
 igr2=2056,2057,
 &end
#
#   43 LEU  HB+         130 GLY  HA+         6.00    (#   2212:20  Unique         5.87, 6.80 A)
 &rst
  ixpk= 2212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 697, 698,
 igr2=2056,2057,
 &end
#
#    0 AMB  20-2:2213     0 AMB  20-1:2213   5.00    (#   2213:20  Double Ambig)
 &rst
  ixpk= 2213, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50,
 igr1=2083,2084,1770,1771,1770,1771, 697, 698,
 igr2=2056,2057,2056,2057,2056,2057,2056,2057,
 &end
#
#   43 LEU  MDY         130 GLY  HA+         5.00    (#   2214:20  Unique         4.04, 6.76 A)
 &rst
  ixpk= 2214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2=2056,2057,
 &end
#
#   43 LEU  MDX         130 GLY  HA+         5.00    (#   2215:20  Unique         4.04, 6.76 A)
 &rst
  ixpk= 2215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2=2056,2057,
 &end
#
#   43 LEU  HB+         130 GLY  HA-         6.00    (#   2217:20  Unique         5.87, 6.80 A)
 &rst
  ixpk= 2217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 697, 698,
 igr2=2056,2057,
 &end
#
#   43 LEU  MDY         130 GLY  HA-         5.00    (#   2218:20  Unique         4.04, 6.76 A)
 &rst
  ixpk= 2218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2=2056,2057,
 &end
#
#   43 LEU  MDX         130 GLY  HA-         4.00    (#   2219:20  Unique         4.04, 6.76 A)
 &rst
  ixpk= 2219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2=2056,2057,
 &end
#
#    0 AMB  20-2:2222     0 AMB  20-1:2222   6.00    (#   2222:20  Double Ambig)
 &rst
  ixpk= 2222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 438, 366, 367,
 igr2= 455, 456,1918,1919,1918,1919,
 &end
#
#    7 MET  ME          121 GLY  HA+         4.00    (#   2225:20  Unique         1.92, 3.44 A)
 &rst
  ixpk= 2225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 128, 129, 130,
 igr2=1918,1919,
 &end
#
#   27 ILE  QG2           0 AMB  20-1:2226   4.00    (#   2226:20  Single Ambig)
 &rst
  ixpk= 2226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 440, 441, 442,
 igr2=1918,1919, 455, 456,
 &end
#
#   27 ILE  QD1         121 GLY  HA+         4.00    (#   2227:20  Unique         1.99, 3.59 A)
 &rst
  ixpk= 2227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 447, 448, 449,
 igr2=1918,1919,
 &end
#
#   33 LEU  HG           33 LEU  HB+         5.00    (#   2239:20  Unique         2.29, 2.70 A)
 &rst
  ixpk= 2239, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 529, 530,
 &end
#
#   33 LEU  HG           33 LEU  HB-         5.00    (#   2240:20  Unique         2.29, 2.70 A)
 &rst
  ixpk= 2240, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 529, 530,
 &end
#
#  101 ALA  MB           12 GLY  HA-         6.00    (#   2242:20  Unique         4.51, 6.68 A)
 &rst
  ixpk= 2242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1604,1605,1606,
 igr2= 198, 199,
 &end
#
#  101 ALA  MB           12 GLY  HA+         5.00    (#   2244:20  Unique         4.51, 6.68 A)
 &rst
  ixpk= 2244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1604,1605,1606,
 igr2= 198, 199,
 &end
#
#    0 AMB  20-2:2247     0 AMB  20-1:2247   5.00    (#   2247:20  Double Ambig)
 &rst
  ixpk= 2247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=1017,1018,1019,1021,1022,1023,2221,2222,2223,2225,
      2226,2227,
 igr2= 529, 530, 529, 530,
 &end
#
#   62 LEU  MDY          33 LEU  HB+         6.00    (#   2248:20  Unique         1.97, 3.84 A)
 &rst
  ixpk= 2248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1017,1018,1019,1021,1022,1023,
 igr2= 529, 530,
 &end
#
#    0 AMB  20-2:2250     0 AMB  20-1:2250   4.00    (#   2250:20  Double Ambig)
 &rst
  ixpk= 2250, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 534, 535, 536, 538, 539, 540,1047,1048,1049,1051,
      1052,1053,
 igr2= 529, 530, 529, 530,
 &end
#
#   33 LEU  MDX          33 LEU  HB+         4.00    (#   2251:20  Unique         2.11, 3.34 A)
 &rst
  ixpk= 2251, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 534, 535, 536, 538, 539, 540,
 igr2= 529, 530,
 &end
#
#    0 AMB  20-2:2252     0 AMB  20-1:2252   5.00    (#   2252:20  Double Ambig)
 &rst
  ixpk= 2252, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=1017,1018,1019,1021,1022,1023,2221,2222,2223,2225,
      2226,2227,
 igr2= 529, 530, 529, 530,
 &end
#
#    0 AMB  20-2:2259    33 LEU  HB-         4.00    (#   2259:20  Single Ambig)
 &rst
  ixpk= 2259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 534, 535, 536, 538, 539, 540,1047,1048,1049,1051,
      1052,1053,
 igr2= 529, 530,
 &end
#
#   33 LEU  MDX          33 LEU  HB-         4.00    (#   2260:20  Unique         2.11, 3.34 A)
 &rst
  ixpk= 2260, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 534, 535, 536, 538, 539, 540,
 igr2= 529, 530,
 &end
#
#    0 AMB  20-2:2261    33 LEU  HB-         4.00    (#   2261:20  Single Ambig)
 &rst
  ixpk= 2261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1017,1018,1019,1021,1022,1023,2221,2222,2223,2225,
      2226,2227,
 igr2= 529, 530,
 &end
#
#    0 AMB  20-2:2266     0 AMB  20-1:2266   6.00    (#   2266:20  Double Ambig)
 &rst
  ixpk= 2266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 697, 698,2041,2042,2043,
 igr2=2049,2050,2049,2050,
 &end
#
#    0 AMB  20-2:2268     0 AMB  20-1:2268   6.00    (#   2268:20  Double Ambig)
 &rst
  ixpk= 2268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 697, 698,2041,2042,2043,
 igr2=2049,2050,2049,2050,
 &end
#
#    0 AMB  20-2:2273   129 GLY  HA-         5.00    (#   2273:20  Single Ambig)
 &rst
  ixpk= 2273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 697, 698,2041,2042,2043,
 igr2=2049,2050,
 &end
#
#    0 AMB  20-2:2280     0 AMB  20-1:2280   6.00    (#   2280:20  Double Ambig)
 &rst
  ixpk= 2280, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1770,1771, 697, 698,
 igr2=2049,2050,2049,2050,
 &end
#
#    0 AMB  20-2:2283   129 GLY  HA-         5.00    (#   2283:20  Single Ambig)
 &rst
  ixpk= 2283, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1770,1771,1770,1771, 697, 698,
 igr2=2049,2050,
 &end
#
#    0 AMB  20-2:2289    17 LEU  HB-         3.00    (#   2289:20  Single Ambig)
 &rst
  ixpk= 2289, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 283, 284, 285, 287, 288, 289,1506,1507,1508,
 igr2= 278, 279,
 &end
#
#   17 LEU  MDX          17 LEU  HB-         4.00    (#   2290:20  Unique         2.11, 3.44 A)
 &rst
  ixpk= 2290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 283, 284, 285, 287, 288, 289,
 igr2= 278, 279,
 &end
#
#    0 AMB  20-2:2291     0 AMB  20-1:2291   3.00    (#   2291:20  Double Ambig)
 &rst
  ixpk= 2291, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 283, 284, 285, 287, 288, 289,1506,1507,1508,
 igr2= 278, 279, 278, 279,
 &end
#
#    0 AMB  20-2:2292     0 AMB  20-1:2292   4.00    (#   2292:20  Double Ambig)
 &rst
  ixpk= 2292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 283, 284, 285, 287, 288, 289,1503,1504,
 igr2= 278, 279, 278, 279,
 &end
#
#   71 ARG  HA           71 ARG  HD-         4.00    (#   2293:20  Unique         2.34, 4.31 A)
 &rst
  ixpk= 2293, nxpk= 20, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1157,1158,
 &end
#
#    0 AMB  20-2:2294    71 ARG  HD-         4.00    (#   2294:20  Single Ambig)
 &rst
  ixpk= 2294, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 628, 629,1134,1135,
 igr2=1157,1158,
 &end
#
#  111 VAL  MGX          71 ARG  HD-         4.00    (#   2295:20  Unique         2.17, 5.30 A)
 &rst
  ixpk= 2295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2=1157,1158,
 &end
#
#  139 ARG  HD+         142 ARG  HD+         5.00    (#   2312:20  Unique         3.84, 6.34 A)
 &rst
  ixpk= 2312, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2201,2202,
 igr2=2255,2256,
 &end
#
#    0 AMB  20-2:2313     0 AMB  20-1:2313   4.00    (#   2313:20  Double Ambig)
 &rst
  ixpk= 2313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=2316,2306,
 igr2=2255,2256,2255,2256,
 &end
#
#  146 GLU  HG-         142 ARG  HD+         5.00    (#   2314:20  Unique         2.00, 3.58 A)
 &rst
  ixpk= 2314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2321,2322,
 igr2=2255,2256,
 &end
#
#   71 ARG  HB+          71 ARG  HD-         3.00    (#   2315:20  Unique         2.13, 2.94 A)
 &rst
  ixpk= 2315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1151,1152,
 igr2=1157,1158,
 &end
#
#  113 ALA  MB          126 PHE  HB-         5.00    (#   2324:20  Unique         5.70, 7.29 A)
 &rst
  ixpk= 2324, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1784,1785,1786,
 igr2=2004,2005,
 &end
#
#    3 LEU  MDX         126 PHE  HB-         6.00    (#   2325:20  Unique         2.74, 6.48 A)
 &rst
  ixpk= 2325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  52,  53,  54,  56,  57,  58,
 igr2=2004,2005,
 &end
#
#  142 ARG  HA          142 ARG  HD+         3.00    (#   2328:20  Unique         1.96, 2.80 A)
 &rst
  ixpk= 2328, nxpk= 20, iat=2247,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2255,2256,
 &end
#
#    0 AMB  20-2:2329     0 AMB  20-1:2329   4.00    (#   2329:20  Double Ambig)
 &rst
  ixpk= 2329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1=2271, 385, 150, 361,
 igr2=2255,2256, 369, 370, 369, 370, 369, 370,
 &end
#
#  142 ARG  HB+         142 ARG  HD+         3.00    (#   2331:20  Unique         2.24, 3.36 A)
 &rst
  ixpk= 2331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2249,2250,
 igr2=2255,2256,
 &end
#
#    0 AMB  20-2:2332     0 AMB  20-1:2332   3.00    (#   2332:20  Double Ambig)
 &rst
  ixpk= 2332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=2252,2253,2252,2253, 366, 367,
 igr2=2255,2256,2255,2256, 369, 370,
 &end
#
#    0 AMB  20-2:2337   126 PHE  HB-         4.00    (#   2337:20  Single Ambig)
 &rst
  ixpk= 2337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=  52,  53,  54,  56,  57,  58,1949,1950,1951,1953,
      1954,1955,
 igr2=2004,2005,
 &end
#
#  123 LEU  MDY         126 PHE  HB-         5.00    (#   2338:20  Unique         2.75, 4.59 A)
 &rst
  ixpk= 2338, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=2004,2005,
 &end
#
#    0 AMB  20-2:2341     0 AMB  20-1:2341   4.00    (#   2341:20  Double Ambig)
 &rst
  ixpk= 2341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=  52,  53,  54,  56,  57,  58,1949,1950,1951,1953,
      1954,1955,
 igr2=2004,2005,2004,2005,
 &end
#
#  123 LEU  MDY         126 PHE  HB+         5.00    (#   2342:20  Unique         2.75, 4.59 A)
 &rst
  ixpk= 2342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=2004,2005,
 &end
#
#   72 SER  HB-          76 LEU  HB+         5.00    (#   2351:20  Unique         5.03, 6.54 A)
 &rst
  ixpk= 2351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1175,1176,
 igr2=1225,1226,
 &end
#
#   76 LEU  MDY          76 LEU  HB+         3.00    (#   2353:20  Unique         2.15, 3.33 A)
 &rst
  ixpk= 2353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1230,1231,1232,1234,1235,1236,
 igr2=1225,1226,
 &end
#
#   76 LEU  MDX          76 LEU  HB+         4.00    (#   2354:20  Unique         2.15, 3.33 A)
 &rst
  ixpk= 2354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1230,1231,1232,1234,1235,1236,
 igr2=1225,1226,
 &end
#
#   72 SER  HB-          76 LEU  HB-         5.00    (#   2355:20  Unique         5.03, 6.54 A)
 &rst
  ixpk= 2355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1175,1176,
 igr2=1225,1226,
 &end
#
#   76 LEU  MDY          76 LEU  HB-         3.00    (#   2357:20  Unique         2.15, 3.33 A)
 &rst
  ixpk= 2357, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1230,1231,1232,1234,1235,1236,
 igr2=1225,1226,
 &end
#
#    4 ARG  HA            0 AMB  20-1:2358   4.00    (#   2358:20  Single Ambig)
 &rst
  ixpk= 2358, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=  72,  73,  72,  73,
 &end
#
#    4 ARG  HB-           0 AMB  20-1:2359   4.00    (#   2359:20  Single Ambig)
 &rst
  ixpk= 2359, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  66,  67,
 igr2=  72,  73,  72,  73,
 &end
#
#    0 AMB  20-2:2360     0 AMB  20-1:2360   3.00    (#   2360:20  Double Ambig)
 &rst
  ixpk= 2360, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  66,  67,  66,  67,
 igr2=  72,  73,  72,  73,
 &end
#
#    4 ARG  HG-           0 AMB  20-1:2361   3.00    (#   2361:20  Single Ambig)
 &rst
  ixpk= 2361, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  69,  70,
 igr2=  72,  73,  72,  73,
 &end
#
#    0 AMB  20-2:2362     0 AMB  20-1:2362   3.00    (#   2362:20  Double Ambig)
 &rst
  ixpk= 2362, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  69,  70,  69,  70,
 igr2=  72,  73,  72,  73,
 &end
#
#    4 ARG  HA            4 ARG  HD-         5.00    (#   2363:20  Unique         3.19, 4.28 A)
 &rst
  ixpk= 2363, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  72,  73,
 &end
#
#    4 ARG  HB-           4 ARG  HD-         4.00    (#   2364:20  Unique         2.08, 3.02 A)
 &rst
  ixpk= 2364, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  66,  67,
 igr2=  72,  73,
 &end
#
#    4 ARG  HB+           4 ARG  HD-         3.00    (#   2365:20  Unique         2.08, 3.02 A)
 &rst
  ixpk= 2365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  66,  67,
 igr2=  72,  73,
 &end
#
#   80 LYS  HB-          77 ASP  HB-         4.00    (#   2376:20  Unique         2.07, 4.33 A)
 &rst
  ixpk= 2376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1277,1278,
 igr2=1244,1245,
 &end
#
#  111 VAL  MGX          36 PHE  HB+         5.00    (#   2382:20  Unique         1.96, 4.33 A)
 &rst
  ixpk= 2382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2= 584, 585,
 &end
#
#   57 LYS  HG-          57 LYS  HE+         4.00    (#   2385:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 2385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 926, 927,
 igr2= 932, 933,
 &end
#
#   39 ILE  QG2          75 ASP  HB-         6.00    (#   2386:20  Unique         2.67, 5.33 A)
 &rst
  ixpk= 2386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 641, 642, 643,
 igr2=1213,1214,
 &end
#
#   80 LYS  HE-          77 ASP  HB+         3.00    (#   2387:20  Unique         2.00, 3.78 A)
 &rst
  ixpk= 2387, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1286,1287,
 igr2=1244,1245,
 &end
#
#  111 VAL  MGX          36 PHE  HB-         4.00    (#   2388:20  Unique         1.96, 4.33 A)
 &rst
  ixpk= 2388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2= 584, 585,
 &end
#
#  102 LEU  MDY         102 LEU  HB-         5.00    (#   2395:20  Unique         1.95, 3.31 A)
 &rst
  ixpk= 2395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1619,1620,1621,1623,1624,1625,
 igr2=1614,1615,
 &end
#
#  102 LEU  MDX         102 LEU  HB+         6.00    (#   2396:20  Unique         1.95, 3.31 A)
 &rst
  ixpk= 2396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1619,1620,1621,1623,1624,1625,
 igr2=1614,1615,
 &end
#
#   70 PRO  HA           75 ASP  HB+         5.00    (#   2403:20  Unique         1.95, 2.75 A)
 &rst
  ixpk= 2403, nxpk= 20, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1213,1214,
 &end
#
#   77 ASP  HB+          80 LYS  HE-         3.00    (#   2405:20  Unique         2.00, 3.78 A)
 &rst
  ixpk= 2405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1244,1245,
 igr2=1286,1287,
 &end
#
#  118 ASP  HA          117 PHE  HB+         5.00    (#   2406:20  Unique         4.98, 5.23 A)
 &rst
  ixpk= 2406, nxpk= 20, iat=1870,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1852,1853,
 &end
#
#   70 PRO  HA           75 ASP  HB-         4.00    (#   2407:20  Unique         1.95, 2.75 A)
 &rst
  ixpk= 2407, nxpk= 20, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1213,1214,
 &end
#
#   70 PRO  HB-          75 ASP  HB-         5.00    (#   2409:20  Unique         3.41, 4.87 A)
 &rst
  ixpk= 2409, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1140,1141,
 igr2=1213,1214,
 &end
#
#    0 AMB  20-2:2410     0 AMB  20-1:2410   4.00    (#   2410:20  Double Ambig)
 &rst
  ixpk= 2410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1930,1931,1927,1928,
 igr2=1852,1853,1852,1853,
 &end
#
#    0 AMB  20-2:2411     0 AMB  20-1:2411   4.00    (#   2411:20  Double Ambig)
 &rst
  ixpk= 2411, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1140,1141, 554, 555, 504, 505,1123,1124,
 igr2=1213,1214,1852,1853,1852,1853,
 &end
#
#   39 ILE  HG1+         75 ASP  HB-         4.00    (#   2412:20  Unique         1.97, 3.81 A)
 &rst
  ixpk= 2412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 645, 646,
 igr2=1213,1214,
 &end
#
#    0 AMB  20-2:2413    75 ASP  HB-         5.00    (#   2413:20  Single Ambig)
 &rst
  ixpk= 2413, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 648, 649, 650,1538,1539,1540,1542,1543,1544,
 igr2=1213,1214,
 &end
#
#   80 LYS  HB-          77 ASP  HB+         5.00    (#   2415:20  Unique         2.07, 4.33 A)
 &rst
  ixpk= 2415, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1277,1278,
 igr2=1244,1245,
 &end
#
#   80 LYS  HD-          77 ASP  HB+         3.00    (#   2416:20  Unique         1.96, 3.06 A)
 &rst
  ixpk= 2416, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1283,1284,
 igr2=1244,1245,
 &end
#
#    0 AMB  20-2:2417     0 AMB  20-1:2417   4.00    (#   2417:20  Double Ambig)
 &rst
  ixpk= 2417, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1283,1284,1784,1785,1786,
 igr2=1244,1245, 584, 585,
 &end
#
#   81 ILE  HB           77 ASP  HB-         6.00    (#   2419:20  Unique         5.20, 6.46 A)
 &rst
  ixpk= 2419, nxpk= 20, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1244,1245,
 &end
#
#  144 LEU  HG          144 LEU  HB+         3.00    (#   2425:20  Unique         2.52, 2.80 A)
 &rst
  ixpk= 2425, nxpk= 20, iat=2292,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2289,2290,
 &end
#
#  102 LEU  HG          102 LEU  HB-         5.00    (#   2439:20  Unique         2.23, 2.75 A)
 &rst
  ixpk= 2439, nxpk= 20, iat=1617,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1614,1615,
 &end
#
#  102 LEU  MDX         102 LEU  HB-         5.00    (#   2440:20  Unique         1.95, 3.31 A)
 &rst
  ixpk= 2440, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1619,1620,1621,1623,1624,1625,
 igr2=1614,1615,
 &end
#
#  102 LEU  MDY         102 LEU  HB+         5.00    (#   2441:20  Unique         1.95, 3.31 A)
 &rst
  ixpk= 2441, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1619,1620,1621,1623,1624,1625,
 igr2=1614,1615,
 &end
#
#    0 AMB  20-2:2448     0 AMB  20-1:2448   4.00    (#   2448:20  Double Ambig)
 &rst
  ixpk= 2448, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1253,1254, 716, 717,
 igr2= 231, 232, 736, 737,
 &end
#
#   96 VAL  MGX          14 LYS  HE+         3.00    (#   2449:20  Unique         2.03, 5.01 A)
 &rst
  ixpk= 2449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1538,1539,1540,1542,1543,1544,
 igr2= 231, 232,
 &end
#
#    0 AMB  20-2:2454     0 AMB  20-1:2454   4.00    (#   2454:20  Double Ambig)
 &rst
  ixpk= 2454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1253,1254, 716, 717,
 igr2= 231, 232, 736, 737,
 &end
#
#    0 AMB  20-2:2456     0 AMB  20-1:2456   6.00    (#   2456:20  Double Ambig)
 &rst
  ixpk= 2456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 669, 670, 777, 778,
 igr2= 736, 737, 736, 737,
 &end
#
#   53 GLU  HG-          57 LYS  HE+         4.00    (#   2457:20  Unique         1.99, 3.60 A)
 &rst
  ixpk= 2457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 855, 856,
 igr2= 932, 933,
 &end
#
#    0 AMB  20-2:2458     0 AMB  20-1:2458   4.00    (#   2458:20  Double Ambig)
 &rst
  ixpk= 2458, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 852, 853, 639,
 igr2= 932, 933, 736, 737,
 &end
#
#    0 AMB  20-2:2459     0 AMB  20-1:2459   3.00    (#   2459:20  Double Ambig)
 &rst
  ixpk= 2459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1256,1257,1277,1278,
 igr2= 231, 232,1286,1287,
 &end
#
#    0 AMB  20-2:2460     0 AMB  20-1:2460   3.00    (#   2460:20  Double Ambig)
 &rst
  ixpk= 2460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 923, 924,1283,1284, 733, 734,
 igr2= 932, 933,1286,1287, 736, 737,
 &end
#
#    0 AMB  20-2:2461     0 AMB  20-1:2461   3.00    (#   2461:20  Double Ambig)
 &rst
  ixpk= 2461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 923, 924, 929, 930,
 igr2= 932, 933, 932, 933,
 &end
#
#   57 LYS  HG-          57 LYS  HE+         4.00    (#   2462:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 2462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 926, 927,
 igr2= 932, 933,
 &end
#
#    0 AMB  20-2:2463     0 AMB  20-1:2463   3.00    (#   2463:20  Double Ambig)
 &rst
  ixpk= 2463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1538,1539,1540,1542,1543,1544, 648, 649, 650,
 igr2= 231, 232,1286,1287,
 &end
#
#    0 AMB  20-2:2464     0 AMB  20-1:2464   3.00    (#   2464:20  Double Ambig)
 &rst
  ixpk= 2464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1904, 462,
 igr2=1893,1894,1893,1894,
 &end
#
#    0 AMB  20-2:2465     0 AMB  20-1:2465   5.00    (#   2465:20  Double Ambig)
 &rst
  ixpk= 2465, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 777, 778, 887, 888,
 igr2= 736, 737, 932, 933,
 &end
#
#    0 AMB  20-2:2466     0 AMB  20-1:2466   6.00    (#   2466:20  Double Ambig)
 &rst
  ixpk= 2466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 467, 468, 998, 999,
 igr2= 488, 489,1893,1894, 488, 489,
 &end
#
#    0 AMB  20-2:2467     0 AMB  20-1:2467   4.00    (#   2467:20  Double Ambig)
 &rst
  ixpk= 2467, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 467, 468,2161,2162,
 igr2= 488, 489, 932, 933,
 &end
#
#  119 LYS  HG-         119 LYS  HE+         3.00    (#   2468:20  Unique         2.01, 3.10 A)
 &rst
  ixpk= 2468, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1887,1888,
 igr2=1893,1894,
 &end
#
#    0 AMB  20-2:2470     0 AMB  20-1:2470   3.00    (#   2470:20  Double Ambig)
 &rst
  ixpk= 2470, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2179,2180,1884,1885,
 igr2=2182,2183,1893,1894,
 &end
#
#    0 AMB  20-2:2472     0 AMB  20-1:2472   4.00    (#   2472:20  Double Ambig)
 &rst
  ixpk= 2472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1= 557, 558, 559,1838,1839,1840,1842,1843,1844,1838,
      1839,1840,1842,1843,1844,
 igr2=1852,1853,1852,1853,1852,1853,
 &end
#
#   54 PHE  HA           57 LYS  HE-         6.00    (#   2473:20  Unique         2.06, 3.27 A)
 &rst
  ixpk= 2473, nxpk= 20, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 932, 933,
 &end
#
#   53 GLU  HG+          57 LYS  HE-         5.00    (#   2474:20  Unique         1.99, 3.60 A)
 &rst
  ixpk= 2474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 855, 856,
 igr2= 932, 933,
 &end
#
#  112 PRO  HD+          43 LEU  HB-         5.00    (#   2481:20  Unique         2.04, 3.86 A)
 &rst
  ixpk= 2481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1767,1768,
 igr2= 697, 698,
 &end
#
#    0 AMB  20-2:2482     0 AMB  20-1:2482   3.00    (#   2482:20  Double Ambig)
 &rst
  ixpk= 2482, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 702, 703, 704, 706, 707, 708,1499,1500,1501,
 igr2= 697, 698,1497,
 &end
#
#   65 VAL  MGX           0 AMB  20-1:2483   4.00    (#   2483:20  Single Ambig)
 &rst
  ixpk= 2483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1063,1064,1065,1067,1068,1069,
 igr2= 419, 420, 419, 420,
 &end
#
#  141 ASN  HA          144 LEU  HB-         4.00    (#   2487:20  Unique         2.59, 3.72 A)
 &rst
  ixpk= 2487, nxpk= 20, iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2289,2290,
 &end
#
#  144 LEU  MDX         144 LEU  HB-         3.00    (#   2488:20  Unique         2.02, 3.28 A)
 &rst
  ixpk= 2488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2=2289,2290,
 &end
#
#  112 PRO  HD+          43 LEU  HB+         5.00    (#   2489:20  Unique         2.04, 3.86 A)
 &rst
  ixpk= 2489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1767,1768,
 igr2= 697, 698,
 &end
#
#  102 LEU  HA          102 LEU  HB-         5.00    (#   2491:20  Unique         2.32, 2.63 A)
 &rst
  ixpk= 2491, nxpk= 20, iat=1612,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1614,1615,
 &end
#
#    0 AMB  20-2:2499   117 PHE  HB-         6.00    (#   2499:20  Single Ambig)
 &rst
  ixpk= 2499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 557, 558, 559, 440, 441, 442,1949,1950,1951,1953,
      1954,1955,1838,1839,1840,1842,1843,1844,
 igr2=1852,1853,
 &end
#
#  138 LYS  HA          138 LYS  HE+         5.00    (#   2501:20  Unique         2.00, 4.07 A)
 &rst
  ixpk= 2501, nxpk= 20, iat=2171,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2182,2183,
 &end
#
#    0 AMB  20-2:2502     0 AMB  20-1:2502   3.00    (#   2502:20  Double Ambig)
 &rst
  ixpk= 2502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 464, 465,2129,2130,2131,2158,2159, 639,2158,2159,
      
 igr2= 488, 489,2201,2202,2182,2183, 736, 737,2109,2110,
      
 &end
#
#    0 AMB  20-2:2503     0 AMB  20-1:2503   3.00    (#   2503:20  Double Ambig)
 &rst
  ixpk= 2503, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2176,2177,2198,2199,
 igr2=2182,2183,2201,2202,
 &end
#
#   39 ILE  HA           45 LYS  HE-         4.00    (#   2504:20  Unique         1.91, 2.74 A)
 &rst
  ixpk= 2504, nxpk= 20, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 736, 737,
 &end
#
#    0 AMB  20-2:2506     0 AMB  20-1:2506   3.00    (#   2506:20  Double Ambig)
 &rst
  ixpk= 2506, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=2173,2174, 464, 465, 479, 480,
 igr2=2182,2183, 488, 489, 488, 489,
 &end
#
#  146 GLU  HG+         139 ARG  HD-         6.00    (#   2507:20  Unique         6.07, 7.83 A)
 &rst
  ixpk= 2507, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2321,2322,
 igr2=2201,2202,
 &end
#
#    0 AMB  20-2:2509     0 AMB  20-1:2509   6.00    (#   2509:20  Double Ambig)
 &rst
  ixpk= 2509, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 436,1918,1919,
 igr2=1893,1894,1872,1873,
 &end
#
#  116 VAL  MGY         139 ARG  HD+         4.00    (#   2510:20  Unique         2.80, 6.02 A)
 &rst
  ixpk= 2510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1838,1839,1840,1842,1843,1844,
 igr2=2201,2202,
 &end
#
#    0 AMB  20-2:2511     0 AMB  20-1:2511   3.00    (#   2511:20  Double Ambig)
 &rst
  ixpk= 2511, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 923, 924,2106,2107, 929, 930,2198,2199,
 igr2= 932, 933,2109,2110,2201,2202,
 &end
#
#   57 LYS  HG-          57 LYS  HE-         3.00    (#   2512:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 2512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 926, 927,
 igr2= 932, 933,
 &end
#
#   57 LYS  HG+          57 LYS  HE-         3.00    (#   2513:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 2513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 926, 927,
 igr2= 932, 933,
 &end
#
#   66 ALA  MB           94 ILE  HB          5.00    (#   2517:20  Unique         3.92, 5.48 A)
 &rst
  ixpk= 2517, nxpk= 20, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1077,1078,1079,
 &end
#
#    0 AMB  20-2:2519     0 AMB  20-1:2519   3.00    (#   2519:20  Double Ambig)
 &rst
  ixpk= 2519, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=2287, 695,
 igr2=2289,2290, 697, 698,
 &end
#
#  144 LEU  MDY         144 LEU  HB+         4.00    (#   2520:20  Unique         2.02, 3.28 A)
 &rst
  ixpk= 2520, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2=2289,2290,
 &end
#
#  141 ASN  HA          144 LEU  HB+         4.00    (#   2521:20  Unique         2.59, 3.72 A)
 &rst
  ixpk= 2521, nxpk= 20, iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2289,2290,
 &end
#
#  144 LEU  HA          144 LEU  HB-         4.00    (#   2526:20  Unique         2.37, 2.73 A)
 &rst
  ixpk= 2526, nxpk= 20, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2289,2290,
 &end
#
#  144 LEU  MDY         144 LEU  HB-         4.00    (#   2528:20  Unique         2.02, 3.28 A)
 &rst
  ixpk= 2528, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2=2289,2290,
 &end
#
#  141 ASN  HB+         144 LEU  HB-         5.00    (#   2529:20  Unique         4.27, 5.66 A)
 &rst
  ixpk= 2529, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2235,2236,
 igr2=2289,2290,
 &end
#
#    0 AMB  20-2:2531     0 AMB  20-1:2531   4.00    (#   2531:20  Double Ambig)
 &rst
  ixpk= 2531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 695,2074,2075,
 igr2= 697, 698, 697, 698,
 &end
#
#   43 LEU  MDX          43 LEU  HB+         4.00    (#   2533:20  Unique         1.98, 3.32 A)
 &rst
  ixpk= 2533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2= 697, 698,
 &end
#
#  128 ALA  MB          110 TYR  HB-         4.00    (#   2537:20  Unique         2.60, 4.13 A)
 &rst
  ixpk= 2537, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2041,2042,2043,
 igr2=1733,1734,
 &end
#
#   74 ASP  HB-          45 LYS  HE-         6.00    (#   2540:20  Unique         6.15, 7.55 A)
 &rst
  ixpk= 2540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1201,1202,
 igr2= 736, 737,
 &end
#
#    0 AMB  20-2:2546   144 LEU  HB-         6.00    (#   2546:20  Single Ambig)
 &rst
  ixpk= 2546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 igr2=2289,2290,
 &end
#
#   43 LEU  MDY          43 LEU  HB+         4.00    (#   2547:20  Unique         1.98, 3.32 A)
 &rst
  ixpk= 2547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2= 697, 698,
 &end
#
#  124 ARG  HG+         118 ASP  HB-         6.00    (#   2548:20  Unique         2.68, 4.29 A)
 &rst
  ixpk= 2548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1966,1967,
 igr2=1872,1873,
 &end
#
#    0 AMB  20-2:2550   118 ASP  HB-         5.00    (#   2550:20  Single Ambig)
 &rst
  ixpk= 2550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1927,1928,1966,1967,
 igr2=1872,1873,
 &end
#
#  139 ARG  HA          139 ARG  HD-         3.00    (#   2556:20  Unique         1.95, 2.73 A)
 &rst
  ixpk= 2556, nxpk= 20, iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2201,2202,
 &end
#
#  137 GLU  HA          134 LYS  HE+         6.00    (#   2557:20  Unique         5.73, 6.74 A)
 &rst
  ixpk= 2557, nxpk= 20, iat=2156,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2109,2110,
 &end
#
#  134 LYS  HD+         134 LYS  HE+         5.00    (#   2558:20  Unique         2.27, 2.73 A)
 &rst
  ixpk= 2558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2106,2107,
 igr2=2109,2110,
 &end
#
#  139 ARG  HA          139 ARG  HD+         4.00    (#   2559:20  Unique         1.95, 2.73 A)
 &rst
  ixpk= 2559, nxpk= 20, iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2201,2202,
 &end
#
#    0 AMB  20-2:2561     0 AMB  20-1:2561   4.00    (#   2561:20  Double Ambig)
 &rst
  ixpk= 2561, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr1=2249,2250,2161,2162,2173,2174,2024,2025,
 igr2=2201,2202,2109,2110,2201,2202,2201,2202,
 &end
#
#    0 AMB  20-2:2562     0 AMB  20-1:2562   6.00    (#   2562:20  Double Ambig)
 &rst
  ixpk= 2562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2142,2139,2140,
 igr2=2201,2202,2201,2202,
 &end
#
#   27 ILE  QG2           0 AMB  20-1:2564   5.00    (#   2564:20  Single Ambig)
 &rst
  ixpk= 2564, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 440, 441, 442,
 igr2=1893,1894,1872,1873,
 &end
#
#  124 ARG  HD-           3 LEU  HB+         6.00    (#   2566:20  Unique         4.64, 7.30 A)
 &rst
  ixpk= 2566, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1969,1970,
 igr2=  47,  48,
 &end
#
#    3 LEU  MDY           3 LEU  HB+         3.00    (#   2567:20  Unique         2.18, 3.32 A)
 &rst
  ixpk= 2567, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=  52,  53,  54,  56,  57,  58,
 igr2=  47,  48,
 &end
#
#  118 ASP  HA          118 ASP  HB-         4.00    (#   2569:20  Unique         2.30, 2.80 A)
 &rst
  ixpk= 2569, nxpk= 20, iat=1870,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1872,1873,
 &end
#
#    0 AMB  20-2:2570   118 ASP  HB-         5.00    (#   2570:20  Single Ambig)
 &rst
  ixpk= 2570, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 igr2=1872,1873,
 &end
#
#    0 AMB  20-2:2573     0 AMB  20-1:2573   4.00    (#   2573:20  Double Ambig)
 &rst
  ixpk= 2573, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1=2144,2145,2146,2148,2149,2150,2106,2107,
 igr2=1794,1795,2109,2110,
 &end
#
#  111 VAL  MGY         110 TYR  HB+         6.00    (#   2574:20  Unique         3.85, 6.59 A)
 &rst
  ixpk= 2574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2=1733,1734,
 &end
#
#  123 LEU  MDY         115 TYR  HB+         5.00    (#   2578:20  Unique         1.99, 5.02 A)
 &rst
  ixpk= 2578, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=1815,1816,
 &end
#
#  136 LEU  HG          114 TYR  HB-         4.00    (#   2580:20  Unique         1.93, 3.74 A)
 &rst
  ixpk= 2580, nxpk= 20, iat=2142,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1794,1795,
 &end
#
#    0 AMB  20-2:2581     0 AMB  20-1:2581   6.00    (#   2581:20  Double Ambig)
 &rst
  ixpk= 2581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1=2142, 534, 535, 536, 538, 539, 540,
 igr2=1794,1795,1794,1795,
 &end
#
#    3 LEU  HA            3 LEU  HB+         4.00    (#   2584:20  Unique         2.25, 2.67 A)
 &rst
  ixpk= 2584, nxpk= 20, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  47,  48,
 &end
#
#    3 LEU  MDX           3 LEU  HB+         3.00    (#   2586:20  Unique         2.18, 3.32 A)
 &rst
  ixpk= 2586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=  52,  53,  54,  56,  57,  58,
 igr2=  47,  48,
 &end
#
#    3 LEU  HA            3 LEU  HB-         4.00    (#   2587:20  Unique         2.25, 2.67 A)
 &rst
  ixpk= 2587, nxpk= 20, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  47,  48,
 &end
#
#    3 LEU  MDX           3 LEU  HB-         3.00    (#   2589:20  Unique         2.18, 3.32 A)
 &rst
  ixpk= 2589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=  52,  53,  54,  56,  57,  58,
 igr2=  47,  48,
 &end
#
#    3 LEU  MDY           3 LEU  HB-         3.00    (#   2590:20  Unique         2.18, 3.32 A)
 &rst
  ixpk= 2590, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=  52,  53,  54,  56,  57,  58,
 igr2=  47,  48,
 &end
#
#  123 LEU  MDY         115 TYR  HB-         5.00    (#   2591:20  Unique         1.99, 5.02 A)
 &rst
  ixpk= 2591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=1815,1816,
 &end
#
#    0 AMB  20-2:2600     0 AMB  20-1:2600   5.00    (#   2600:20  Double Ambig)
 &rst
  ixpk= 2600, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 igr2=1794,1795,1794,1795,
 &end
#
#    4 ARG  HG-           3 LEU  HB-         4.00    (#   2601:20  Unique         2.31, 3.84 A)
 &rst
  ixpk= 2601, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  69,  70,
 igr2=  47,  48,
 &end
#
#  126 PHE  HB+         115 TYR  HB+         6.00    (#   2607:20  Unique         3.37, 4.90 A)
 &rst
  ixpk= 2607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2004,2005,
 igr2=1815,1816,
 &end
#
#   34 ILE  HB          115 TYR  HB+         6.00    (#   2608:20  Unique         2.17, 3.20 A)
 &rst
  ixpk= 2608, nxpk= 20, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1815,1816,
 &end
#
#  123 LEU  MDY         115 TYR  HB+         5.00    (#   2609:20  Unique         1.99, 5.02 A)
 &rst
  ixpk= 2609, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=1815,1816,
 &end
#
#  113 ALA  MB          114 TYR  HB+         6.00    (#   2615:20  Unique         5.07, 6.39 A)
 &rst
  ixpk= 2615, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1784,1785,1786,
 igr2=1794,1795,
 &end
#
#  123 LEU  HG          123 LEU  HB+         4.00    (#   2617:20  Unique         2.23, 2.67 A)
 &rst
  ixpk= 2617, nxpk= 20, iat=1947,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1944,1945,
 &end
#
#   47 ALA  MB          114 TYR  HB+         6.00    (#   2622:20  Unique         5.99, 7.73 A)
 &rst
  ixpk= 2622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 764, 765, 766,
 igr2=1794,1795,
 &end
#
#    5 GLN  HB+         123 LEU  HB-         5.00    (#   2625:20  Unique         2.17, 4.05 A)
 &rst
  ixpk= 2625, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  90,  91,
 igr2=1944,1945,
 &end
#
#  123 LEU  MDY         123 LEU  HB-         5.00    (#   2627:20  Unique         2.01, 3.36 A)
 &rst
  ixpk= 2627, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=1944,1945,
 &end
#
#  123 LEU  HG          123 LEU  HB-         5.00    (#   2628:20  Unique         2.23, 2.67 A)
 &rst
  ixpk= 2628, nxpk= 20, iat=1947,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1944,1945,
 &end
#
#    5 GLN  HB+         123 LEU  HB+         6.00    (#   2629:20  Unique         2.17, 4.05 A)
 &rst
  ixpk= 2629, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  90,  91,
 igr2=1944,1945,
 &end
#
#   74 ASP  HA           74 ASP  HB+         3.00    (#   2633:20  Unique         2.37, 2.82 A)
 &rst
  ixpk= 2633, nxpk= 20, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1201,1202,
 &end
#
#   75 ASP  HB-          74 ASP  HB-         5.00    (#   2639:20  Unique         3.75, 5.44 A)
 &rst
  ixpk= 2639, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1213,1214,
 igr2=1201,1202,
 &end
#
#   74 ASP  HA           74 ASP  HB-         4.00    (#   2640:20  Unique         2.37, 2.82 A)
 &rst
  ixpk= 2640, nxpk= 20, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1201,1202,
 &end
#
#    3 LEU  HA          123 LEU  HB-         5.00    (#   2643:20  Unique         1.94, 3.26 A)
 &rst
  ixpk= 2643, nxpk= 20, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1944,1945,
 &end
#
#  123 LEU  MDX         123 LEU  HB-         4.00    (#   2644:20  Unique         2.01, 3.36 A)
 &rst
  ixpk= 2644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=1944,1945,
 &end
#
#  123 LEU  MDY         123 LEU  HB+         5.00    (#   2645:20  Unique         2.01, 3.36 A)
 &rst
  ixpk= 2645, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=1944,1945,
 &end
#
#   60 ASP  HA            0 AMB  20-1:2650   3.00    (#   2650:20  Single Ambig)
 &rst
  ixpk= 2650, nxpk= 20, iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 983, 984, 983, 984,
 &end
#
#   59 GLN  HA            0 AMB  20-1:2651   5.00    (#   2651:20  Single Ambig)
 &rst
  ixpk= 2651, nxpk= 20, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 983, 984, 983, 984,
 &end
#
#   73 GLU  HB-          74 ASP  HB+         6.00    (#   2652:20  Unique         4.47, 6.40 A)
 &rst
  ixpk= 2652, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1186,1187,
 igr2=1201,1202,
 &end
#
#   73 GLU  HB-          74 ASP  HB-         6.00    (#   2653:20  Unique         4.47, 6.40 A)
 &rst
  ixpk= 2653, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1186,1187,
 igr2=1201,1202,
 &end
#
#  103 THR  MG2         108 ASN  HB+         5.00    (#   2656:20  Unique         2.02, 3.89 A)
 &rst
  ixpk= 2656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1635,1636,1637,
 igr2=1704,1705,
 &end
#
#  103 THR  MG2         108 ASN  HB-         4.00    (#   2659:20  Unique         2.02, 3.89 A)
 &rst
  ixpk= 2659, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1635,1636,1637,
 igr2=1704,1705,
 &end
#
#  108 ASN  HA          108 ASN  HB-         5.00    (#   2660:20  Unique         2.28, 2.75 A)
 &rst
  ixpk= 2660, nxpk= 20, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1704,1705,
 &end
#
#  106 PHE  HB-         108 ASN  HB-         6.00    (#   2661:20  Unique         3.43, 5.68 A)
 &rst
  ixpk= 2661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1669,1670,
 igr2=1704,1705,
 &end
#
#  106 PHE  HB-         108 ASN  HB-         6.00    (#   2662:20  Unique         3.43, 5.68 A)
 &rst
  ixpk= 2662, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1669,1670,
 igr2=1704,1705,
 &end
#
#  136 LEU  MDY         136 LEU  HB-         4.00    (#   2667:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 2667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=2139,2140,
 &end
#
#  135 MET  ME          136 LEU  HB-         5.00    (#   2668:20  Unique         2.21, 4.36 A)
 &rst
  ixpk= 2668, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2129,2130,2131,
 igr2=2139,2140,
 &end
#
#  136 LEU  MDX         136 LEU  HB-         5.00    (#   2669:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 2669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=2139,2140,
 &end
#
#  133 MET  HA          136 LEU  HB+         5.00    (#   2671:20  Unique         2.69, 3.45 A)
 &rst
  ixpk= 2671, nxpk= 20, iat=2081,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2139,2140,
 &end
#
#  136 LEU  MDX         136 LEU  HB+         5.00    (#   2673:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 2673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=2139,2140,
 &end
#
#  136 LEU  MDY         136 LEU  HB+         4.00    (#   2674:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 2674, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=2139,2140,
 &end
#
#  136 LEU  HA          136 LEU  HB-         5.00    (#   2677:20  Unique         2.20, 2.67 A)
 &rst
  ixpk= 2677, nxpk= 20, iat=2137,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2139,2140,
 &end
#
#  136 LEU  HA          136 LEU  HB+         5.00    (#   2678:20  Unique         2.20, 2.67 A)
 &rst
  ixpk= 2678, nxpk= 20, iat=2137,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2139,2140,
 &end
#
#   32 THR  MG2          63 ASN  HB-         5.00    (#   2679:20  Unique         3.03, 4.85 A)
 &rst
  ixpk= 2679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 517, 518, 519,
 igr2=1031,1032,
 &end
#
#   26 LEU  MDX          63 ASN  HB+         4.00    (#   2682:20  Unique         2.21, 4.74 A)
 &rst
  ixpk= 2682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 424, 425, 426, 428, 429, 430,
 igr2=1031,1032,
 &end
#
#   26 LEU  MDX          63 ASN  HB-         4.00    (#   2683:20  Unique         2.21, 4.74 A)
 &rst
  ixpk= 2683, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 424, 425, 426, 428, 429, 430,
 igr2=1031,1032,
 &end
#
#   32 THR  MG2          63 ASN  HB+         5.00    (#   2686:20  Unique         3.03, 4.85 A)
 &rst
  ixpk= 2686, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 517, 518, 519,
 igr2=1031,1032,
 &end
#
#  124 ARG  HG-         124 ARG  HD+         5.00    (#   2689:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 2689, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1966,1967,
 igr2=1969,1970,
 &end
#
#  124 ARG  HG+         124 ARG  HD+         4.00    (#   2690:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 2690, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1966,1967,
 igr2=1969,1970,
 &end
#
#  124 ARG  HB-         124 ARG  HD+         5.00    (#   2691:20  Unique         2.07, 3.38 A)
 &rst
  ixpk= 2691, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1963,1964,
 igr2=1969,1970,
 &end
#
#  124 ARG  HG-         124 ARG  HD-         5.00    (#   2693:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 2693, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1966,1967,
 igr2=1969,1970,
 &end
#
#  124 ARG  HG+         124 ARG  HD-         4.00    (#   2694:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 2694, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1966,1967,
 igr2=1969,1970,
 &end
#
#  124 ARG  HB-         124 ARG  HD-         5.00    (#   2695:20  Unique         2.07, 3.38 A)
 &rst
  ixpk= 2695, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1963,1964,
 igr2=1969,1970,
 &end
#
#  106 PHE  HA          106 PHE  HB-         5.00    (#   2698:20  Unique         2.44, 2.82 A)
 &rst
  ixpk= 2698, nxpk= 20, iat=1667,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1669,1670,
 &end
#
#   29 GLU  HB-          27 ILE  HB          6.00    (#   2703:20  Unique         6.72, 7.61 A)
 &rst
  ixpk= 2703, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 464, 465,
 &end
#
#   10 LEU  MDY          10 LEU  HB-         5.00    (#   2704:20  Unique         2.23, 3.37 A)
 &rst
  ixpk= 2704, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 172, 173, 174, 176, 177, 178,
 igr2= 167, 168,
 &end
#
#   10 LEU  MDX          10 LEU  HB-         5.00    (#   2705:20  Unique         2.23, 3.37 A)
 &rst
  ixpk= 2705, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 172, 173, 174, 176, 177, 178,
 igr2= 167, 168,
 &end
#
#   53 GLU  HA           56 ASP  HB+         4.00    (#   2711:20  Unique         2.90, 3.61 A)
 &rst
  ixpk= 2711, nxpk= 20, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 911, 912,
 &end
#
#    0 AMB  20-2:2712     0 AMB  20-1:2712   6.00    (#   2712:20  Double Ambig)
 &rst
  ixpk= 2712, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 890, 891, 887, 888,
 igr2= 911, 912, 911, 912,
 &end
#
#   53 GLU  HA            0 AMB  20-1:2714   5.00    (#   2714:20  Single Ambig)
 &rst
  ixpk= 2714, nxpk= 20, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 911, 912, 911, 912,
 &end
#
#   27 ILE  HA           27 ILE  HB          4.00    (#   2716:20  Unique         2.69, 2.76 A)
 &rst
  ixpk= 2716, nxpk= 20, iat= 436, 438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 GLU  HA           27 ILE  HB          5.00    (#   2717:20  Unique         3.15, 4.86 A)
 &rst
  ixpk= 2717, nxpk= 20, iat= 385, 438, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 ILE  HG1-         27 ILE  HB          3.00    (#   2718:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 2718, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 444, 445,
 &end
#
#   27 ILE  QD1          27 ILE  HB          3.00    (#   2719:20  Unique         2.26, 3.05 A)
 &rst
  ixpk= 2719, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 447, 448, 449,
 &end
#
#   52 ASN  HB+          89 ASP  HB+         5.00    (#   2723:20  Unique         1.94, 3.31 A)
 &rst
  ixpk= 2723, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 838, 839,
 igr2=1421,1422,
 &end
#
#   34 ILE  HG1+         34 ILE  HB          4.00    (#   2724:20  Unique         2.43, 2.84 A)
 &rst
  ixpk= 2724, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 554, 555,
 &end
#
#   34 ILE  QD1          34 ILE  HB          4.00    (#   2725:20  Unique         1.99, 2.82 A)
 &rst
  ixpk= 2725, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 557, 558, 559,
 &end
#
#   89 ASP  HA           89 ASP  HB-         3.00    (#   2729:20  Unique         2.44, 2.80 A)
 &rst
  ixpk= 2729, nxpk= 20, iat=1419,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1421,1422,
 &end
#
#    0 AMB  20-2:2733     0 AMB  20-1:2733   3.00    (#   2733:20  Double Ambig)
 &rst
  ixpk= 2733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 909,1645,
 igr2= 911, 912, 911, 912,1647,1648,
 &end
#
#   88 HIS  HA           89 ASP  HB+         6.00    (#   2734:20  Unique         3.97, 4.69 A)
 &rst
  ixpk= 2734, nxpk= 20, iat=1402,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1421,1422,
 &end
#
#   89 ASP  HA           89 ASP  HB+         3.00    (#   2735:20  Unique         2.44, 2.80 A)
 &rst
  ixpk= 2735, nxpk= 20, iat=1419,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1421,1422,
 &end
#
#  115 TYR  HB-          34 ILE  HB          5.00    (#   2737:20  Unique         2.17, 3.20 A)
 &rst
  ixpk= 2737, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1815,1816,
 &end
#
#   34 ILE  QG2          34 ILE  HB          3.00    (#   2738:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2738, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 550, 551, 552,
 &end
#
#  104 ASP  HA          104 ASP  HB-         4.00    (#   2743:20  Unique         2.44, 2.82 A)
 &rst
  ixpk= 2743, nxpk= 20, iat=1645,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1647,1648,
 &end
#
#    0 AMB  20-2:2744   104 ASP  HB-         4.00    (#   2744:20  Single Ambig)
 &rst
  ixpk= 2744, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1602,1657,
 igr2=1647,1648,
 &end
#
#    0 AMB  20-2:2746     0 AMB  20-1:2746   5.00    (#   2746:20  Double Ambig)
 &rst
  ixpk= 2746, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1602,1657,
 igr2=1647,1648,1647,1648,
 &end
#
#   34 ILE  HG1-         34 ILE  HB          4.00    (#   2749:20  Unique         2.43, 2.84 A)
 &rst
  ixpk= 2749, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 554, 555,
 &end
#
#  103 THR  HB          104 ASP  HB-         6.00    (#   2756:20  Unique         4.35, 5.73 A)
 &rst
  ixpk= 2756, nxpk= 20, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1647,1648,
 &end
#
#   39 ILE  HA           39 ILE  HB          4.00    (#   2772:20  Unique         2.30, 2.39 A)
 &rst
  ixpk= 2772, nxpk= 20, iat= 637, 639, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 THR  MG2          39 ILE  HB          4.00    (#   2773:20  Unique         2.13, 3.44 A)
 &rst
  ixpk= 2773, nxpk= 20, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1357,1358,1359,
 &end
#
#   39 ILE  QG2          39 ILE  HB          4.00    (#   2774:20  Unique         2.24, 2.64 A)
 &rst
  ixpk= 2774, nxpk= 20, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 641, 642, 643,
 &end
#
#   39 ILE  QD1          39 ILE  HB          4.00    (#   2775:20  Unique         2.06, 2.95 A)
 &rst
  ixpk= 2775, nxpk= 20, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 648, 649, 650,
 &end
#
#    0 AMB  20-2:2776    39 ILE  HB          6.00    (#   2776:20  Single Ambig)
 &rst
  ixpk= 2776, nxpk= 20, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1353, 626,
 &end
#
#    0 AMB  20-2:2788     0 AMB  20-1:2788   6.00    (#   2788:20  Double Ambig)
 &rst
  ixpk= 2788, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1499,1500,1501,1538,1539,1540,1542,1543,1544,
 igr2=1516,1517,1516,1517,
 &end
#
#   67 VAL  MGX          95 PHE  HB-         6.00    (#   2798:20  Unique         2.02, 4.91 A)
 &rst
  ixpk= 2798, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1089,1090,1091,1093,1094,1095,
 igr2=1516,1517,
 &end
#
#  133 MET  ME           54 PHE  HB-         6.00    (#   2825:20  Unique         1.96, 3.10 A)
 &rst
  ixpk= 2825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2090,2091,2092,
 igr2= 867, 868,
 &end
#
#   54 PHE  HA           54 PHE  HB-         4.00    (#   2833:20  Unique         2.32, 2.70 A)
 &rst
  ixpk= 2833, nxpk= 20, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 867, 868,
 &end
#
#   54 PHE  HA           54 PHE  HB+         4.00    (#   2835:20  Unique         2.32, 2.70 A)
 &rst
  ixpk= 2835, nxpk= 20, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 867, 868,
 &end
#
#    0 AMB  20-2:2837     0 AMB  20-1:2837   6.00    (#   2837:20  Double Ambig)
 &rst
  ixpk= 2837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=2294,2295,2296,2298,2299,2300,2221,2222,2223,2225,
      2226,2227,
 igr2=2235,2236,2235,2236,
 &end
#
#   61 GLN  HB-          58 TYR  HB-         5.00    (#   2839:20  Unique         1.88, 3.07 A)
 &rst
  ixpk= 2839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 995, 996,
 igr2= 945, 946,
 &end
#
#    0 AMB  20-2:2841     0 AMB  20-1:2841   5.00    (#   2841:20  Double Ambig)
 &rst
  ixpk= 2841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
 igr1=1012,1013, 534, 535, 536, 538, 539, 540,
 igr2= 945, 946, 867, 868,
 &end
#
#   62 LEU  MDY          58 TYR  HB-         5.00    (#   2842:20  Unique         1.97, 5.69 A)
 &rst
  ixpk= 2842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1017,1018,1019,1021,1022,1023,
 igr2= 945, 946,
 &end
#
#  141 ASN  HA          141 ASN  HB-         4.00    (#   2843:20  Unique         2.40, 2.76 A)
 &rst
  ixpk= 2843, nxpk= 20, iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2235,2236,
 &end
#
#  138 LYS  HA          141 ASN  HB-         5.00    (#   2844:20  Unique         2.26, 3.59 A)
 &rst
  ixpk= 2844, nxpk= 20, iat=2171,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2235,2236,
 &end
#
#  141 ASN  HA          141 ASN  HB+         4.00    (#   2846:20  Unique         2.40, 2.76 A)
 &rst
  ixpk= 2846, nxpk= 20, iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2235,2236,
 &end
#
#    0 AMB  20-2:2849     0 AMB  20-1:2849   6.00    (#   2849:20  Double Ambig)
 &rst
  ixpk= 2849, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1=1047,1048,1049,1051,1052,1053,1012,1013,
 igr2= 945, 946, 945, 946,
 &end
#
#    0 AMB  20-2:2852   141 ASN  HB-         5.00    (#   2852:20  Single Ambig)
 &rst
  ixpk= 2852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1=2173,2174,2219,2249,2250,2161,2162,
 igr2=2235,2236,
 &end
#
#  138 LYS  HA          141 ASN  HB+         5.00    (#   2853:20  Unique         2.26, 3.59 A)
 &rst
  ixpk= 2853, nxpk= 20, iat=2171,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2235,2236,
 &end
#
#    0 AMB  20-2:2854     0 AMB  20-1:2854   6.00    (#   2854:20  Double Ambig)
 &rst
  ixpk= 2854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=2294,2295,2296,2298,2299,2300,2221,2222,2223,2225,
      2226,2227,
 igr2=2235,2236,2235,2236,
 &end
#
#    0 AMB  20-2:2855     0 AMB  20-1:2855   5.00    (#   2855:20  Double Ambig)
 &rst
  ixpk= 2855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.78, r4=10.28,
 igr1=2173,2174,2219,2249,2250,2161,2162,
 igr2=2235,2236,2235,2236,2235,2236,2235,2236,
 &end
#
#   61 GLN  HB-          58 TYR  HB+         5.00    (#   2856:20  Unique         1.88, 3.07 A)
 &rst
  ixpk= 2856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 995, 996,
 igr2= 945, 946,
 &end
#
#   62 LEU  MDY          58 TYR  HB+         5.00    (#   2857:20  Unique         1.97, 5.69 A)
 &rst
  ixpk= 2857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1017,1018,1019,1021,1022,1023,
 igr2= 945, 946,
 &end
#
#    0 AMB  20-2:2861    58 TYR  HB-         5.00    (#   2861:20  Single Ambig)
 &rst
  ixpk= 2861, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 995, 996, 998, 999,
 igr2= 945, 946,
 &end
#
#   81 ILE  HG1+         81 ILE  HB          5.00    (#   2864:20  Unique         2.36, 2.79 A)
 &rst
  ixpk= 2864, nxpk= 20, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1305,1306,
 &end
#
#   81 ILE  QD1          81 ILE  HB          4.00    (#   2865:20  Unique         2.04, 2.96 A)
 &rst
  ixpk= 2865, nxpk= 20, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1308,1309,1310,
 &end
#
#   78 PRO  HA           81 ILE  HB          4.00    (#   2868:20  Unique         2.13, 2.65 A)
 &rst
  ixpk= 2868, nxpk= 20, iat=1262,1299, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 LEU  MDY          81 ILE  HB          6.00    (#   2869:20  Unique         2.48, 5.19 A)
 &rst
  ixpk= 2869, nxpk= 20, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#   17 LEU  MDX          81 ILE  HB          5.00    (#   2870:20  Unique         2.48, 5.19 A)
 &rst
  ixpk= 2870, nxpk= 20, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#   81 ILE  QG2          81 ILE  HB          4.00    (#   2871:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2871, nxpk= 20, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1301,1302,1303,
 &end
#
#   81 ILE  HA           81 ILE  HB          6.00    (#   2873:20  Unique         2.97, 3.01 A)
 &rst
  ixpk= 2873, nxpk= 20, iat=1297,1299, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   81 ILE  HG1-         81 ILE  HB          5.00    (#   2874:20  Unique         2.36, 2.79 A)
 &rst
  ixpk= 2874, nxpk= 20, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1305,1306,
 &end
#
#   24 GLU  HA           24 GLU  HG-         4.00    (#   2877:20  Unique         3.53, 3.74 A)
 &rst
  ixpk= 2877, nxpk= 20, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 390, 391,
 &end
#
#   23 ARG  HG-          24 GLU  HG+         6.00    (#   2880:20  Unique         3.30, 4.97 A)
 &rst
  ixpk= 2880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 366, 367,
 igr2= 390, 391,
 &end
#
#   24 GLU  HA           24 GLU  HG+         4.00    (#   2884:20  Unique         3.53, 3.74 A)
 &rst
  ixpk= 2884, nxpk= 20, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 390, 391,
 &end
#
#   21 VAL  MGX          24 GLU  HG+         6.00    (#   2885:20  Unique         4.53, 7.30 A)
 &rst
  ixpk= 2885, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 335, 336, 337, 339, 340, 341,
 igr2= 390, 391,
 &end
#
#    0 AMB  20-2:2887    24 GLU  HG-         5.00    (#   2887:20  Single Ambig)
 &rst
  ixpk= 2887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 363, 364, 419, 420, 422,
 igr2= 390, 391,
 &end
#
#   18 ASN  HA           18 ASN  HB-         4.00    (#   2894:20  Unique         2.30, 2.80 A)
 &rst
  ixpk= 2894, nxpk= 20, iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 297, 298,
 &end
#
#   18 ASN  HA           18 ASN  HB+         4.00    (#   2901:20  Unique         2.30, 2.80 A)
 &rst
  ixpk= 2901, nxpk= 20, iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 297, 298,
 &end
#
#  146 GLU  HA          146 GLU  HG-         4.00    (#   2903:20  Unique         2.52, 3.48 A)
 &rst
  ixpk= 2903, nxpk= 20, iat=2316,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2321,2322,
 &end
#
#  143 VAL  HA          146 GLU  HG-         5.00    (#   2904:20  Unique         1.94, 2.81 A)
 &rst
  ixpk= 2904, nxpk= 20, iat=2271,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2321,2322,
 &end
#
#  146 GLU  HB-         146 GLU  HG-         3.00    (#   2906:20  Unique         2.26, 2.68 A)
 &rst
  ixpk= 2906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2318,2319,
 igr2=2321,2322,
 &end
#
#    0 AMB  20-2:2907   146 GLU  HG-         6.00    (#   2907:20  Single Ambig)
 &rst
  ixpk= 2907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=2308,2309,2310,1963,1964,
 igr2=2321,2322,
 &end
#
#    0 AMB  20-2:2908   146 GLU  HG-         5.00    (#   2908:20  Single Ambig)
 &rst
  ixpk= 2908, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 igr2=2321,2322,
 &end
#
#    0 AMB  20-2:2909   146 GLU  HG-         6.00    (#   2909:20  Single Ambig)
 &rst
  ixpk= 2909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=2308,2309,2310,1963,1964,
 igr2=2321,2322,
 &end
#
#   46 GLU  HA           46 GLU  HG-         3.00    (#   2910:20  Unique         2.53, 3.25 A)
 &rst
  ixpk= 2910, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 752, 753,
 &end
#
#  146 GLU  HA          146 GLU  HG+         4.00    (#   2912:20  Unique         2.52, 3.48 A)
 &rst
  ixpk= 2912, nxpk= 20, iat=2316,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2321,2322,
 &end
#
#  148 GLU  HB-         148 GLU  HG+         3.00    (#   2914:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 2914, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2347,2348,
 igr2=2350,2351,
 &end
#
#    0 AMB  20-2:2915    53 GLU  HG-         6.00    (#   2915:20  Single Ambig)
 &rst
  ixpk= 2915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=2086,2087, 887, 888,
 igr2= 855, 856,
 &end
#
#   69 MET  HG+          69 MET  HB+         5.00    (#   2920:20  Unique         2.27, 2.70 A)
 &rst
  ixpk= 2920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1123,1124,
 igr2=1120,1121,
 &end
#
#   69 MET  HG+          69 MET  HB-         5.00    (#   2921:20  Unique         2.27, 2.70 A)
 &rst
  ixpk= 2921, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1123,1124,
 igr2=1120,1121,
 &end
#
#    0 AMB  20-2:2926     0 AMB  20-1:2926   5.00    (#   2926:20  Double Ambig)
 &rst
  ixpk= 2926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1497,1483,1484,
 igr2= 297, 298, 297, 298,
 &end
#
#    0 AMB  20-2:2929   146 GLU  HG-         5.00    (#   2929:20  Single Ambig)
 &rst
  ixpk= 2929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2249,2250,1966,1967,
 igr2=2321,2322,
 &end
#
#  142 ARG  HG+         146 GLU  HG-         6.00    (#   2930:20  Unique         2.97, 4.97 A)
 &rst
  ixpk= 2930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2252,2253,
 igr2=2321,2322,
 &end
#
#   50 GLN  HA           53 GLU  HG+         3.00    (#   2932:20  Unique         1.91, 2.71 A)
 &rst
  ixpk= 2932, nxpk= 20, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 855, 856,
 &end
#
#   57 LYS  HD+          53 GLU  HG+         5.00    (#   2934:20  Unique         2.26, 4.84 A)
 &rst
  ixpk= 2934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 929, 930,
 igr2= 855, 856,
 &end
#
#   57 LYS  HB-          53 GLU  HG+         5.00    (#   2935:20  Unique         3.69, 5.61 A)
 &rst
  ixpk= 2935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 923, 924,
 igr2= 855, 856,
 &end
#
#   43 LEU  HA           46 GLU  HG+         3.00    (#   2936:20  Unique         2.00, 2.77 A)
 &rst
  ixpk= 2936, nxpk= 20, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 752, 753,
 &end
#
#  101 ALA  MB            9 GLU  HG+         5.00    (#   2938:20  Unique         1.96, 4.05 A)
 &rst
  ixpk= 2938, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1604,1605,1606,
 igr2= 155, 156,
 &end
#
#  104 ASP  HB-           9 GLU  HG-         4.00    (#   2939:20  Unique         3.90, 5.47 A)
 &rst
  ixpk= 2939, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1647,1648,
 igr2= 155, 156,
 &end
#
#   50 GLN  HA           53 GLU  HG-         3.00    (#   2943:20  Unique         1.91, 2.71 A)
 &rst
  ixpk= 2943, nxpk= 20, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 855, 856,
 &end
#
#   65 VAL  HA           65 VAL  HB          5.00    (#   2947:20  Unique         2.25, 2.32 A)
 &rst
  ixpk= 2947, nxpk= 20, iat=1059,1061, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 VAL  MGX          65 VAL  HB          3.00    (#   2948:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 2948, nxpk= 20, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1063,1064,1065,1067,1068,1069,
 &end
#
#   26 LEU  MDY          65 VAL  HB          4.00    (#   2949:20  Unique         1.95, 4.13 A)
 &rst
  ixpk= 2949, nxpk= 20, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:2950    65 VAL  HB          5.00    (#   2950:20  Single Ambig)
 &rst
  ixpk= 2950, nxpk= 20, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 517, 518, 519, 554, 555,
 &end
#
#   34 ILE  QG2          65 VAL  HB          5.00    (#   2951:20  Unique         4.37, 5.83 A)
 &rst
  ixpk= 2951, nxpk= 20, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 550, 551, 552,
 &end
#
#    0 AMB  20-2:2952     0 AMB  20-1:2952   4.00    (#   2952:20  Double Ambig)
 &rst
  ixpk= 2952, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1367,1101,
 igr2=1433,1120,1121,
 &end
#
#    0 AMB  20-2:2953    90 ILE  HB          6.00    (#   2953:20  Single Ambig)
 &rst
  ixpk= 2953, nxpk= 20, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 824, 825, 826, 828, 829, 830, 283, 284, 285, 287,
       288, 289,
 &end
#
#    0 AMB  20-2:2954     0 AMB  20-1:2954   4.00    (#   2954:20  Double Ambig)
 &rst
  ixpk= 2954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1756,1757,1758,1760,1761,1762,1503,1504,
 igr2=1120,1121,1433,
 &end
#
#   90 ILE  QG2          90 ILE  HB          4.00    (#   2955:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2955, nxpk= 20, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1435,1436,1437,
 &end
#
#   90 ILE  QD1          90 ILE  HB          4.00    (#   2956:20  Unique         2.35, 3.12 A)
 &rst
  ixpk= 2956, nxpk= 20, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1442,1443,1444,
 &end
#
#   94 ILE  HG1+         18 ASN  HB+         4.00    (#   2968:20  Unique         2.64, 4.78 A)
 &rst
  ixpk= 2968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1503,1504,
 igr2= 297, 298,
 &end
#
#   50 GLN  HG-          53 GLU  HG+         4.00    (#   2971:20  Unique         3.56, 5.21 A)
 &rst
  ixpk= 2971, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 808, 809,
 igr2= 855, 856,
 &end
#
#    0 AMB  20-2:2973     0 AMB  20-1:2973   3.00    (#   2973:20  Double Ambig)
 &rst
  ixpk= 2973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=2271, 150,
 igr2=2321,2322, 155, 156,
 &end
#
#    0 AMB  20-2:2974     0 AMB  20-1:2974   4.00    (#   2974:20  Double Ambig)
 &rst
  ixpk= 2974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 188, 189, 190, 138, 139,
 igr2= 155, 156, 155, 156,
 &end
#
#    0 AMB  20-2:2975     0 AMB  20-1:2975   4.00    (#   2975:20  Double Ambig)
 &rst
  ixpk= 2975, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=2252,2253, 141, 142,
 igr2=2321,2322, 155, 156,
 &end
#
#    0 AMB  20-2:2976     0 AMB  20-1:2976   3.00    (#   2976:20  Double Ambig)
 &rst
  ixpk= 2976, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=2275,2276,2277,2279,2280,2281, 702, 703, 704, 706,
       707, 708,
 igr2=2321,2322, 752, 753,
 &end
#
#   29 GLU  HA           29 GLU  HG-         4.00    (#   2978:20  Unique         2.14, 3.13 A)
 &rst
  ixpk= 2978, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 467, 468,
 &end
#
#    0 AMB  20-2:2981     9 GLU  HG-         4.00    (#   2981:20  Single Ambig)
 &rst
  ixpk= 2981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 188, 189, 190,1614,1615, 138, 139,
 igr2= 155, 156,
 &end
#
#   10 LEU  MDX           9 GLU  HG-         5.00    (#   2982:20  Unique         3.80, 7.06 A)
 &rst
  ixpk= 2982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 172, 173, 174, 176, 177, 178,
 igr2= 155, 156,
 &end
#
#   57 LYS  HD-         137 GLU  HG-         5.00    (#   2984:20  Unique         3.04, 5.01 A)
 &rst
  ixpk= 2984, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 929, 930,
 igr2=2161,2162,
 &end
#
#  138 LYS  HD+         137 GLU  HG-         4.00    (#   2989:20  Unique         2.15, 4.54 A)
 &rst
  ixpk= 2989, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2179,2180,
 igr2=2161,2162,
 &end
#
#  138 LYS  HG+         137 GLU  HG-         5.00    (#   2990:20  Unique         1.89, 6.19 A)
 &rst
  ixpk= 2990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2176,2177,
 igr2=2161,2162,
 &end
#
#   29 GLU  HA           29 GLU  HG+         4.00    (#   2993:20  Unique         2.14, 3.13 A)
 &rst
  ixpk= 2993, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 467, 468,
 &end
#
#  109 GLU  HB-         109 GLU  HG-         3.00    (#   3000:20  Unique         2.28, 2.76 A)
 &rst
  ixpk= 3000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1718,1719,
 igr2=1721,1722,
 &end
#
#  109 GLU  HA          109 GLU  HG+         4.00    (#   3002:20  Unique         2.06, 2.65 A)
 &rst
  ixpk= 3002, nxpk= 20, iat=1716,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1721,1722,
 &end
#
#   57 LYS  HB-          53 GLU  HG+         5.00    (#   3008:20  Unique         3.69, 5.61 A)
 &rst
  ixpk= 3008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 923, 924,
 igr2= 855, 856,
 &end
#
#   28 GLY  HA+          29 GLU  HG-         6.00    (#   3010:20  Unique         3.31, 6.17 A)
 &rst
  ixpk= 3010, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 455, 456,
 igr2= 467, 468,
 &end
#
#    0 AMB  20-2:3012    29 GLU  HG-         4.00    (#   3012:20  Single Ambig)
 &rst
  ixpk= 3012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 482, 483, 485, 486,
 igr2= 467, 468,
 &end
#
#    0 AMB  20-2:3014     0 AMB  20-1:3014   3.00    (#   3014:20  Double Ambig)
 &rst
  ixpk= 3014, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1659,1660,1661, 141, 142, 479, 480,
 igr2= 155, 156, 467, 468,
 &end
#
#    0 AMB  20-2:3015     0 AMB  20-1:3015   3.00    (#   3015:20  Double Ambig)
 &rst
  ixpk= 3015, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 482, 483, 485, 486,
 igr2= 467, 468, 467, 468,
 &end
#
#  109 GLU  HA          109 GLU  HG-         4.00    (#   3022:20  Unique         2.06, 2.65 A)
 &rst
  ixpk= 3022, nxpk= 20, iat=1716,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1721,1722,
 &end
#
#  109 GLU  HB-         109 GLU  HG+         3.00    (#   3024:20  Unique         2.28, 2.76 A)
 &rst
  ixpk= 3024, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1718,1719,
 igr2=1721,1722,
 &end
#
#    0 AMB  20-2:3032     0 AMB  20-1:3032   3.00    (#   3032:20  Double Ambig)
 &rst
  ixpk= 3032, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1890,1891,1379,1380,1381,
 igr2= 467, 468,1392,1393,
 &end
#
#  137 GLU  HA          137 GLU  HG-         4.00    (#   3034:20  Unique         2.21, 2.70 A)
 &rst
  ixpk= 3034, nxpk= 20, iat=2156,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2161,2162,
 &end
#
#   86 ALA  MB           87 GLU  HG-         5.00    (#   3038:20  Unique         3.32, 5.75 A)
 &rst
  ixpk= 3038, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1379,1380,1381,
 igr2=1392,1393,
 &end
#
#   87 GLU  HA           87 GLU  HG+         3.00    (#   3041:20  Unique         2.33, 3.07 A)
 &rst
  ixpk= 3041, nxpk= 20, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1392,1393,
 &end
#
#   87 GLU  HA           87 GLU  HG-         4.00    (#   3042:20  Unique         2.33, 3.07 A)
 &rst
  ixpk= 3042, nxpk= 20, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1392,1393,
 &end
#
#    0 AMB  20-2:3044    87 GLU  HG-         5.00    (#   3044:20  Single Ambig)
 &rst
  ixpk= 3044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1379,1380,1381,1357,1358,1359,
 igr2=1392,1393,
 &end
#
#    0 AMB  20-2:3047    50 GLN  HG-         3.00    (#   3047:20  Single Ambig)
 &rst
  ixpk= 3047, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 803,2074,2075,
 igr2= 808, 809,
 &end
#
#    0 AMB  20-2:3051    21 VAL  HB          3.00    (#   3051:20  Single Ambig)
 &rst
  ixpk= 3051, nxpk= 20, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 335, 336, 337, 339, 340, 341, 335, 336, 337, 339,
       340, 341,
 &end
#
#   21 VAL  HA           21 VAL  HB          4.00    (#   3052:20  Unique         2.33, 2.60 A)
 &rst
  ixpk= 3052, nxpk= 20, iat= 331, 333, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:3058     0 AMB  20-1:3058   6.00    (#   3058:20  Double Ambig)
 &rst
  ixpk= 3058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 791, 792, 855, 856, 749, 750,
 igr2= 808, 809, 808, 809, 808, 809,
 &end
#
#    0 AMB  20-2:3062     1 MET  HB-         4.00    (#   3062:20  Single Ambig)
 &rst
  ixpk= 3062, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  11,  12,  93,  94,
 igr2=   8,   9,
 &end
#
#  123 LEU  MDX           1 MET  HB-         4.00    (#   3074:20  Unique         2.03, 5.59 A)
 &rst
  ixpk= 3074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=   8,   9,
 &end
#
#   31 PRO  HD+          30 LYS  HB+         4.00    (#   3075:20  Unique         1.85, 3.09 A)
 &rst
  ixpk= 3075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 498, 499,
 igr2= 479, 480,
 &end
#
#   31 PRO  HD-          30 LYS  HB+         5.00    (#   3076:20  Unique         1.85, 3.09 A)
 &rst
  ixpk= 3076, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 498, 499,
 igr2= 479, 480,
 &end
#
#    0 AMB  20-2:3078     0 AMB  20-1:3078   3.00    (#   3078:20  Double Ambig)
 &rst
  ixpk= 3078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 485, 486, 482, 483,
 igr2= 479, 480, 479, 480,
 &end
#
#  119 LYS  HG-          30 LYS  HB+         6.00    (#   3079:20  Unique         6.62, 7.58 A)
 &rst
  ixpk= 3079, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1887,1888,
 igr2= 479, 480,
 &end
#
#   43 LEU  MDY         112 PRO  HB+         6.00    (#   3081:20  Unique         4.33, 7.00 A)
 &rst
  ixpk= 3081, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2=1773,1774,
 &end
#
#    1 MET  HA            1 MET  HB+         4.00    (#   3082:20  Unique         2.38, 2.72 A)
 &rst
  ixpk= 3082, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=   8,   9,
 &end
#
#   31 PRO  HD+          30 LYS  HB-         5.00    (#   3083:20  Unique         1.85, 3.09 A)
 &rst
  ixpk= 3083, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 498, 499,
 igr2= 479, 480,
 &end
#
#    0 AMB  20-2:3084    30 LYS  HB-         3.00    (#   3084:20  Single Ambig)
 &rst
  ixpk= 3084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 485, 486, 482, 483,
 igr2= 479, 480,
 &end
#
#    0 AMB  20-2:3085    20 GLU  HG-         4.00    (#   3085:20  Single Ambig)
 &rst
  ixpk= 3085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 254, 255, 316,
 igr2= 321, 322,
 &end
#
#   20 GLU  HB-          20 GLU  HG-         3.00    (#   3087:20  Unique         2.27, 2.69 A)
 &rst
  ixpk= 3087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 318, 319,
 igr2= 321, 322,
 &end
#
#    0 AMB  20-2:3088     0 AMB  20-1:3088   4.00    (#   3088:20  Double Ambig)
 &rst
  ixpk= 3088, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 254, 255, 316,
 igr2= 321, 322, 321, 322,
 &end
#
#   20 GLU  HB-          20 GLU  HG+         3.00    (#   3090:20  Unique         2.27, 2.69 A)
 &rst
  ixpk= 3090, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 318, 319,
 igr2= 321, 322,
 &end
#
#    0 AMB  20-2:3100   112 PRO  HB-         5.00    (#   3100:20  Single Ambig)
 &rst
  ixpk= 3100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1767,1768, 567, 568,
 igr2=1773,1774,
 &end
#
#    0 AMB  20-2:3106     0 AMB  20-1:3106   5.00    (#   3106:20  Double Ambig)
 &rst
  ixpk= 3106, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=1767,1768, 567, 568,
 igr2=1773,1774,1773,1774,
 &end
#
#  111 VAL  HA          111 VAL  HB          3.00    (#   3108:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 3108, nxpk= 20, iat=1752,1754, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:3109     0 AMB  20-1:3109   5.00    (#   3109:20  Double Ambig)
 &rst
  ixpk= 3109, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 584, 585, 604, 605,
 igr2=1754,1773,1774,
 &end
#
#    5 GLN  HB+           1 MET  HB+         4.00    (#   3110:20  Unique         2.00, 4.21 A)
 &rst
  ixpk= 3110, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  90,  91,
 igr2=   8,   9,
 &end
#
#  111 VAL  MGY           0 AMB  20-1:3111   3.00    (#   3111:20  Single Ambig)
 &rst
  ixpk= 3111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2=1754,1773,1774,
 &end
#
#    0 AMB  20-2:3112     0 AMB  20-1:3112   4.00    (#   3112:20  Double Ambig)
 &rst
  ixpk= 3112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr1=1669,1670,  11,  12,  11,  12,  93,  94,
 igr2=   8,   9,   8,   9,   8,   9,   8,   9,
 &end
#
#   95 PHE  HA           20 GLU  HG-         6.00    (#   3117:20  Unique         2.49, 5.03 A)
 &rst
  ixpk= 3117, nxpk= 20, iat=1514,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 321, 322,
 &end
#
#   16 TRP  HB-          20 GLU  HG+         6.00    (#   3118:20  Unique         1.85, 3.45 A)
 &rst
  ixpk= 3118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 254, 255,
 igr2= 321, 322,
 &end
#
#    0 AMB  20-2:3123     0 AMB  20-1:3123   5.00    (#   3123:20  Double Ambig)
 &rst
  ixpk= 3123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 983, 984, 983, 984,
 igr2= 998, 999, 998, 999,
 &end
#
#    0 AMB  20-2:3124    61 GLN  HG-         5.00    (#   3124:20  Single Ambig)
 &rst
  ixpk= 3124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 983, 984, 983, 984,
 igr2= 998, 999,
 &end
#
#    0 AMB  20-2:3132     0 AMB  20-1:3132   6.00    (#   3132:20  Double Ambig)
 &rst
  ixpk= 3132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 923, 924, 479, 480,
 igr2= 998, 999, 998, 999,
 &end
#
#   60 ASP  HA           61 GLN  HG+         5.00    (#   3133:20  Unique         4.93, 5.56 A)
 &rst
  ixpk= 3133, nxpk= 20, iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 998, 999,
 &end
#
#   61 GLN  HA           61 GLN  HG+         3.00    (#   3134:20  Unique         2.22, 2.87 A)
 &rst
  ixpk= 3134, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 998, 999,
 &end
#
#   61 GLN  HB-          61 GLN  HG+         3.00    (#   3136:20  Unique         2.36, 2.74 A)
 &rst
  ixpk= 3136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 995, 996,
 igr2= 998, 999,
 &end
#
#    0 AMB  20-2:3137   122 GLN  HG-         5.00    (#   3137:20  Single Ambig)
 &rst
  ixpk= 3137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  64,1942,
 igr2=1930,1931,
 &end
#
#    0 AMB  20-2:3138   122 GLN  HG-         3.00    (#   3138:20  Single Ambig)
 &rst
  ixpk= 3138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 110, 111,1927,1928,1966,1967,
 igr2=1930,1931,
 &end
#
#  120 THR  MG2         122 GLN  HG-         6.00    (#   3140:20  Unique         1.97, 4.19 A)
 &rst
  ixpk= 3140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1908,1909,1910,
 igr2=1930,1931,
 &end
#
#   61 GLN  HA           61 GLN  HG-         3.00    (#   3141:20  Unique         2.22, 2.87 A)
 &rst
  ixpk= 3141, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 998, 999,
 &end
#
#  144 LEU  MDY          61 GLN  HG-         6.00    (#   3142:20  Unique         2.29, 5.88 A)
 &rst
  ixpk= 3142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2= 998, 999,
 &end
#
#    0 AMB  20-2:3143     0 AMB  20-1:3143   3.00    (#   3143:20  Double Ambig)
 &rst
  ixpk= 3143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 110, 111, 890, 891,1927,1928,1966,1967,
 igr2=1930,1931,1045,1930,1931,1930,1931,
 &end
#
#    0 AMB  20-2:3144     0 AMB  20-1:3144   5.00    (#   3144:20  Double Ambig)
 &rst
  ixpk= 3144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=  64,1942,
 igr2=1930,1931,1930,1931,
 &end
#
#   64 VAL  MGY          64 VAL  HB          3.00    (#   3145:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 3145, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#   64 VAL  MGX          64 VAL  HB          3.00    (#   3146:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 3146, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#    2 LYS  HA            2 LYS  HB+         3.00    (#   3147:20  Unique         2.29, 2.48 A)
 &rst
  ixpk= 3147, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  25,  26,
 &end
#
#    2 LYS  HA            2 LYS  HB-         4.00    (#   3149:20  Unique         2.29, 2.48 A)
 &rst
  ixpk= 3149, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  25,  26,
 &end
#
#  122 GLN  HA          122 GLN  HG+         4.00    (#   3157:20  Unique         2.08, 3.08 A)
 &rst
  ixpk= 3157, nxpk= 20, iat=1925,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1930,1931,
 &end
#
#    0 AMB  20-2:3158     0 AMB  20-1:3158   6.00    (#   3158:20  Double Ambig)
 &rst
  ixpk= 3158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 885, 104, 105,
 igr2=1045,1930,1931,
 &end
#
#    0 AMB  20-2:3160    64 VAL  HB          5.00    (#   3160:20  Single Ambig)
 &rst
  ixpk= 3160, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1017,1018,1019,1021,1022,1023,1503,1504,
 &end
#
#    2 LYS  HG-           2 LYS  HB+         3.00    (#   3161:20  Unique         2.26, 2.73 A)
 &rst
  ixpk= 3161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  28,  29,
 igr2=  25,  26,
 &end
#
#    0 AMB  20-2:3164     2 LYS  HB-         4.00    (#   3164:20  Single Ambig)
 &rst
  ixpk= 3164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  93,  94,  11,  12,
 igr2=  25,  26,
 &end
#
#   22 THR  MG2          25 GLN  HG-         6.00    (#   3170:20  Unique         5.62, 7.75 A)
 &rst
  ixpk= 3170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 351, 352, 353,
 igr2= 405, 406,
 &end
#
#  144 LEU  MDX          61 GLN  HG+         4.00    (#   3171:20  Unique         2.29, 5.88 A)
 &rst
  ixpk= 3171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2= 998, 999,
 &end
#
#  124 ARG  HB-           0 AMB  20-1:3172   6.00    (#   3172:20  Single Ambig)
 &rst
  ixpk= 3172, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1963,1964,
 igr2=1987,1988,1930,1931,
 &end
#
#    0 AMB  20-2:3173   122 GLN  HG-         6.00    (#   3173:20  Single Ambig)
 &rst
  ixpk= 3173, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=1944,1945, 128, 129, 130,
 igr2=1930,1931,
 &end
#
#  120 THR  MG2         122 GLN  HG-         6.00    (#   3174:20  Unique         1.97, 4.19 A)
 &rst
  ixpk= 3174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1908,1909,1910,
 igr2=1930,1931,
 &end
#
#  116 VAL  MGY         125 HIS  HB+         4.00    (#   3175:20  Unique         2.90, 5.65 A)
 &rst
  ixpk= 3175, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1838,1839,1840,1842,1843,1844,
 igr2=1987,1988,
 &end
#
#  124 ARG  HB-         122 GLN  HG+         6.00    (#   3179:20  Unique         4.48, 7.67 A)
 &rst
  ixpk= 3179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1963,1964,
 igr2=1930,1931,
 &end
#
#   92 GLN  HB+          64 VAL  HB          6.00    (#   3180:20  Unique         2.10, 2.76 A)
 &rst
  ixpk= 3180, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1466,1467,
 &end
#
#    0 AMB  20-2:3181    64 VAL  HB          5.00    (#   3181:20  Single Ambig)
 &rst
  ixpk= 3181, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 824, 825, 826, 828, 829, 830, 534, 535, 536, 538,
       539, 540,1063,1064,1065,1067,1068,1069,
 &end
#
#  124 ARG  HB-         122 GLN  HG+         6.00    (#   3186:20  Unique         4.48, 7.67 A)
 &rst
  ixpk= 3186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1963,1964,
 igr2=1930,1931,
 &end
#
#  116 VAL  HB          125 HIS  HB-         4.00    (#   3190:20  Unique         2.92, 4.13 A)
 &rst
  ixpk= 3190, nxpk= 20, iat=1836,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1987,1988,
 &end
#
#    0 AMB  20-2:3191   125 HIS  HB-         4.00    (#   3191:20  Single Ambig)
 &rst
  ixpk= 3191, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 igr2=1987,1988,
 &end
#
#    5 GLN  HA            5 GLN  HG+         4.00    (#   3197:20  Unique         2.06, 3.08 A)
 &rst
  ixpk= 3197, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  93,  94,
 &end
#
#    1 MET  HA            5 GLN  HG+         5.00    (#   3198:20  Unique         2.02, 4.39 A)
 &rst
  ixpk= 3198, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  93,  94,
 &end
#
#    6 PRO  HD+           5 GLN  HG+         5.00    (#   3199:20  Unique         3.52, 5.00 A)
 &rst
  ixpk= 3199, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 104, 105,
 igr2=  93,  94,
 &end
#
#    6 PRO  HD-           5 GLN  HG+         5.00    (#   3200:20  Unique         3.52, 5.00 A)
 &rst
  ixpk= 3200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 104, 105,
 igr2=  93,  94,
 &end
#
#    5 GLN  HB+           5 GLN  HG+         3.00    (#   3201:20  Unique         2.26, 2.76 A)
 &rst
  ixpk= 3201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  90,  91,
 igr2=  93,  94,
 &end
#
#    5 GLN  HB-           5 GLN  HG+         3.00    (#   3202:20  Unique         2.26, 2.76 A)
 &rst
  ixpk= 3202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  90,  91,
 igr2=  93,  94,
 &end
#
#    0 AMB  20-2:3203     0 AMB  20-1:3203   4.00    (#   3203:20  Double Ambig)
 &rst
  ixpk= 3203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=  69,  70,  25,  26,
 igr2=  93,  94,  93,  94,
 &end
#
#    2 LYS  HG-           5 GLN  HG+         4.00    (#   3204:20  Unique         2.05, 4.72 A)
 &rst
  ixpk= 3204, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  28,  29,
 igr2=  93,  94,
 &end
#
#  124 ARG  HB-         125 HIS  HB+         6.00    (#   3217:20  Unique         3.36, 4.25 A)
 &rst
  ixpk= 3217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1963,1964,
 igr2=1987,1988,
 &end
#
#  139 ARG  HB+         125 HIS  HB+         6.00    (#   3218:20  Unique         4.82, 6.49 A)
 &rst
  ixpk= 3218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2195,2196,
 igr2=1987,1988,
 &end
#
#   62 LEU  HB+          31 PRO  HB+         6.00    (#   3243:20  Unique         2.87, 4.69 A)
 &rst
  ixpk= 3243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1012,1013,
 igr2= 504, 505,
 &end
#
#   62 LEU  MDX          31 PRO  HB-         3.00    (#   3256:20  Unique         2.66, 5.92 A)
 &rst
  ixpk= 3256, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1017,1018,1019,1021,1022,1023,
 igr2= 504, 505,
 &end
#
#  118 ASP  HA           31 PRO  HB-         3.00    (#   3268:20  Unique         2.06, 3.09 A)
 &rst
  ixpk= 3268, nxpk= 20, iat=1870,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 504, 505,
 &end
#
#    0 AMB  20-2:3270    31 PRO  HB-         4.00    (#   3270:20  Single Ambig)
 &rst
  ixpk= 3270, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 igr2= 504, 505,
 &end
#
#    0 AMB  20-2:3271    31 PRO  HB-         5.00    (#   3271:20  Single Ambig)
 &rst
  ixpk= 3271, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1882, 498, 499,
 igr2= 504, 505,
 &end
#
#    0 AMB  20-2:3272    59 GLN  HG-         4.00    (#   3272:20  Single Ambig)
 &rst
  ixpk= 3272, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 983, 984, 983, 984,
 igr2= 969, 970,
 &end
#
#   59 GLN  HB-          59 GLN  HG-         3.00    (#   3273:20  Unique         2.26, 2.68 A)
 &rst
  ixpk= 3273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 966, 967,
 igr2= 969, 970,
 &end
#
#  104 ASP  HB+         107 GLU  HG-         6.00    (#   3277:20  Unique         6.42, 7.56 A)
 &rst
  ixpk= 3277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1647,1648,
 igr2=1692,1693,
 &end
#
#    0 AMB  20-2:3278   116 VAL  HB          5.00    (#   3278:20  Single Ambig)
 &rst
  ixpk= 3278, nxpk= 20, iat=  -1,1836, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,2144,2145,2146,2148,
      2149,2150,
 &end
#
#   29 GLU  HG-          29 GLU  HB+         3.00    (#   3281:20  Unique         2.27, 2.75 A)
 &rst
  ixpk= 3281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 467, 468,
 igr2= 464, 465,
 &end
#
#   30 LYS  HD+          29 GLU  HB+         5.00    (#   3283:20  Unique         2.86, 5.22 A)
 &rst
  ixpk= 3283, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 485, 486,
 igr2= 464, 465,
 &end
#
#    0 AMB  20-2:3284     0 AMB  20-1:3284   4.00    (#   3284:20  Double Ambig)
 &rst
  ixpk= 3284, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 482, 483, 485, 486,
 igr2= 464, 465, 464, 465,
 &end
#
#   29 GLU  HA           29 GLU  HB+         3.00    (#   3285:20  Unique         2.36, 2.71 A)
 &rst
  ixpk= 3285, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 464, 465,
 &end
#
#   29 GLU  HA           29 GLU  HB-         3.00    (#   3286:20  Unique         2.36, 2.71 A)
 &rst
  ixpk= 3286, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 464, 465,
 &end
#
#    0 AMB  20-2:3288     0 AMB  20-1:3288   5.00    (#   3288:20  Double Ambig)
 &rst
  ixpk= 3288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=1852,1853,2235,2236,
 igr2= 504, 505, 995, 996,
 &end
#
#    0 AMB  20-2:3289    29 GLU  HB-         3.00    (#   3289:20  Single Ambig)
 &rst
  ixpk= 3289, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 482, 483, 485, 486,
 igr2= 464, 465,
 &end
#
#   59 GLN  HA           59 GLN  HG-         4.00    (#   3292:20  Unique         2.75, 3.72 A)
 &rst
  ixpk= 3292, nxpk= 20, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 969, 970,
 &end
#
#   59 GLN  HA           59 GLN  HG+         4.00    (#   3294:20  Unique         2.75, 3.72 A)
 &rst
  ixpk= 3294, nxpk= 20, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 969, 970,
 &end
#
#   59 GLN  HB-          59 GLN  HG+         3.00    (#   3295:20  Unique         2.26, 2.68 A)
 &rst
  ixpk= 3295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 966, 967,
 igr2= 969, 970,
 &end
#
#  125 HIS  HB-         116 VAL  HB          5.00    (#   3299:20  Unique         2.92, 4.13 A)
 &rst
  ixpk= 3299, nxpk= 20, iat=  -1,1836, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1987,1988,
 &end
#
#    0 AMB  20-2:3300   116 VAL  HB          3.00    (#   3300:20  Single Ambig)
 &rst
  ixpk= 3300, nxpk= 20, iat=  -1,1836, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#    0 AMB  20-2:3301   116 VAL  HB          6.00    (#   3301:20  Single Ambig)
 &rst
  ixpk= 3301, nxpk= 20, iat=  -1,1836, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1949,1950,1951,1953,1954,1955,2144,2145,2146,2148,
      2149,2150,
 &end
#
#   67 VAL  HA           67 VAL  HB          6.00    (#   3306:20  Unique         2.54, 2.97 A)
 &rst
  ixpk= 3306, nxpk= 20, iat=1085,1087, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 VAL  MGY          67 VAL  HB          4.00    (#   3307:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 3307, nxpk= 20, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   67 VAL  MGX          67 VAL  HB          4.00    (#   3308:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 3308, nxpk= 20, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   56 ASP  HA           59 GLN  HG+         4.00    (#   3311:20  Unique         2.43, 4.15 A)
 &rst
  ixpk= 3311, nxpk= 20, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 969, 970,
 &end
#
#  144 LEU  MDX          61 GLN  HB-         3.00    (#   3322:20  Unique         1.96, 4.07 A)
 &rst
  ixpk= 3322, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2= 995, 996,
 &end
#
#    0 AMB  20-2:3323     0 AMB  20-1:3323   5.00    (#   3323:20  Double Ambig)
 &rst
  ixpk= 3323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=2294,2295,2296,2298,2299,2300,2144,2145,2146,2148,
      2149,2150,
 igr2= 995, 996,2024,2025,
 &end
#
#  127 GLN  HA          127 GLN  HB-         6.00    (#   3324:20  Unique         2.45, 2.84 A)
 &rst
  ixpk= 3324, nxpk= 20, iat=2022,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2024,2025,
 &end
#
#  144 LEU  MDX          61 GLN  HB+         4.00    (#   3333:20  Unique         1.96, 4.07 A)
 &rst
  ixpk= 3333, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2= 995, 996,
 &end
#
#   30 LYS  HB-          61 GLN  HB+         6.00    (#   3334:20  Unique         5.06, 6.29 A)
 &rst
  ixpk= 3334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 479, 480,
 igr2= 995, 996,
 &end
#
#    0 AMB  20-2:3352     0 AMB  20-1:3352   5.00    (#   3352:20  Double Ambig)
 &rst
  ixpk= 3352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=1480,1481,1480,1481,
 igr2=1486,1487,1486,1487,
 &end
#
#   65 VAL  HB           93 PRO  HB+         5.00    (#   3353:20  Unique         3.52, 4.60 A)
 &rst
  ixpk= 3353, nxpk= 20, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1486,1487,
 &end
#
#    0 AMB  20-2:3354     0 AMB  20-1:3354   4.00    (#   3354:20  Double Ambig)
 &rst
  ixpk= 3354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1063,1064,1065,1067,1068,1069,1063,1064,1065,1067,
      1068,1069,
 igr2=1486,1487,1486,1487,
 &end
#
#    0 AMB  20-2:3355     0 AMB  20-1:3355   5.00    (#   3355:20  Double Ambig)
 &rst
  ixpk= 3355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1= 335, 336, 337, 339, 340, 341, 335, 336, 337, 339,
       340, 341,
 igr2=1486,1487,1486,1487,
 &end
#
#   21 VAL  HA           93 PRO  HB+         6.00    (#   3356:20  Unique         4.81, 5.53 A)
 &rst
  ixpk= 3356, nxpk= 20, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1486,1487,
 &end
#
#   61 GLN  HA           61 GLN  HB+         3.00    (#   3357:20  Unique         2.42, 2.80 A)
 &rst
  ixpk= 3357, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 995, 996,
 &end
#
#   17 LEU  MDY          82 LYS  HB+         3.00    (#   3371:20  Unique         1.96, 4.66 A)
 &rst
  ixpk= 3371, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 283, 284, 285, 287, 288, 289,
 igr2=1318,1319,
 &end
#
#   65 VAL  HB           93 PRO  HB+         4.00    (#   3394:20  Unique         3.52, 4.60 A)
 &rst
  ixpk= 3394, nxpk= 20, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1486,1487,
 &end
#
#   48 MET  ME           48 MET  HG-         5.00    (#   3397:20  Unique         2.07, 3.52 A)
 &rst
  ixpk= 3397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 781, 782, 783,
 igr2= 777, 778,
 &end
#
#    0 AMB  20-2:3398    48 MET  HG-         6.00    (#   3398:20  Single Ambig)
 &rst
  ixpk= 3398, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 788, 789,1431,
 igr2= 777, 778,
 &end
#
#    5 GLN  HA            6 PRO  HB+         5.00    (#   3401:20  Unique         5.10, 5.45 A)
 &rst
  ixpk= 3401, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 110, 111,
 &end
#
#   82 LYS  HD+          82 LYS  HB+         3.00    (#   3402:20  Unique         2.01, 3.26 A)
 &rst
  ixpk= 3402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1324,1325,
 igr2=1318,1319,
 &end
#
#    0 AMB  20-2:3403     0 AMB  20-1:3403   3.00    (#   3403:20  Double Ambig)
 &rst
  ixpk= 3403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1321,1322, 281,
 igr2=1318,1319,1318,1319,
 &end
#
#   82 LYS  HA           82 LYS  HB-         3.00    (#   3405:20  Unique         2.38, 2.79 A)
 &rst
  ixpk= 3405, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1318,1319,
 &end
#
#   57 LYS  HA           57 LYS  HB-         3.00    (#   3410:20  Unique         2.56, 2.84 A)
 &rst
  ixpk= 3410, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 923, 924,
 &end
#
#   57 LYS  HG-          57 LYS  HB-         4.00    (#   3412:20  Unique         2.26, 2.74 A)
 &rst
  ixpk= 3412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 926, 927,
 igr2= 923, 924,
 &end
#
#   54 PHE  HA           57 LYS  HB+         5.00    (#   3416:20  Unique         1.80, 2.63 A)
 &rst
  ixpk= 3416, nxpk= 20, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 923, 924,
 &end
#
#   57 LYS  HA           57 LYS  HB+         4.00    (#   3417:20  Unique         2.56, 2.84 A)
 &rst
  ixpk= 3417, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 923, 924,
 &end
#
#   57 LYS  HE-          57 LYS  HB+         5.00    (#   3418:20  Unique         2.00, 3.62 A)
 &rst
  ixpk= 3418, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 932, 933,
 igr2= 923, 924,
 &end
#
#   57 LYS  HG-          57 LYS  HB+         5.00    (#   3420:20  Unique         2.26, 2.74 A)
 &rst
  ixpk= 3420, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 926, 927,
 igr2= 923, 924,
 &end
#
#   33 LEU  MDY          35 HIS  HB+         6.00    (#   3429:20  Unique         1.96, 5.32 A)
 &rst
  ixpk= 3429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 534, 535, 536, 538, 539, 540,
 igr2= 567, 568,
 &end
#
#    6 PRO  HD+           6 PRO  HB+         4.00    (#   3433:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 3433, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 104, 105,
 igr2= 110, 111,
 &end
#
#    6 PRO  HD-           0 AMB  20-1:3434   4.00    (#   3434:20  Single Ambig)
 &rst
  ixpk= 3434, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 104, 105,
 igr2= 110, 111, 141, 142,
 &end
#
#  122 GLN  HA            6 PRO  HB+         5.00    (#   3436:20  Unique         1.75, 2.73 A)
 &rst
  ixpk= 3436, nxpk= 20, iat=1925,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 110, 111,
 &end
#
#   82 LYS  HA           82 LYS  HB+         3.00    (#   3438:20  Unique         2.38, 2.79 A)
 &rst
  ixpk= 3438, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1318,1319,
 &end
#
#    0 AMB  20-2:3441     0 AMB  20-1:3441   4.00    (#   3441:20  Double Ambig)
 &rst
  ixpk= 3441, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1286,1287, 231, 232,
 igr2=1277,1278, 222, 223,
 &end
#
#    0 AMB  20-2:3442     0 AMB  20-1:3442   4.00    (#   3442:20  Double Ambig)
 &rst
  ixpk= 3442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 648, 649, 650,1538,1539,1540,1542,1543,1544,
 igr2=1277,1278, 222, 223,
 &end
#
#   80 LYS  HA           80 LYS  HB-         3.00    (#   3443:20  Unique         2.27, 2.74 A)
 &rst
  ixpk= 3443, nxpk= 20, iat=1275,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1277,1278,
 &end
#
#   77 ASP  HB+          80 LYS  HB-         4.00    (#   3444:20  Unique         2.07, 4.33 A)
 &rst
  ixpk= 3444, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1244,1245,
 igr2=1277,1278,
 &end
#
#    0 AMB  20-2:3445     0 AMB  20-1:3445   3.00    (#   3445:20  Double Ambig)
 &rst
  ixpk= 3445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1280,1281,2176,2177,
 igr2=1277,1278,2173,2174,
 &end
#
#    6 PRO  HD-           0 AMB  20-1:3448   5.00    (#   3448:20  Single Ambig)
 &rst
  ixpk= 3448, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 104, 105,
 igr2= 110, 111, 141, 142,
 &end
#
#   57 LYS  HE-          57 LYS  HB-         4.00    (#   3449:20  Unique         2.00, 3.62 A)
 &rst
  ixpk= 3449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 932, 933,
 igr2= 923, 924,
 &end
#
#    0 AMB  20-2:3451     0 AMB  20-1:3451   3.00    (#   3451:20  Double Ambig)
 &rst
  ixpk= 3451, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 152, 153,   8,   9, 207, 208,2161,2162,1944,1945,
      
 igr2= 141, 142, 141, 142, 222, 223, 923, 924, 110, 111,
      
 &end
#
#   57 LYS  HG+          57 LYS  HB-         4.00    (#   3452:20  Unique         2.26, 2.74 A)
 &rst
  ixpk= 3452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 926, 927,
 igr2= 923, 924,
 &end
#
#  104 ASP  HB-           8 PRO  HB+         6.00    (#   3453:20  Unique         5.89, 7.66 A)
 &rst
  ixpk= 3453, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1647,1648,
 igr2= 141, 142,
 &end
#
#    0 AMB  20-2:3459     0 AMB  20-1:3459   6.00    (#   3459:20  Double Ambig)
 &rst
  ixpk= 3459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 855, 856,2158,2159,
 igr2= 923, 924, 923, 924,
 &end
#
#   57 LYS  HG+          57 LYS  HB+         4.00    (#   3460:20  Unique         2.26, 2.74 A)
 &rst
  ixpk= 3460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 926, 927,
 igr2= 923, 924,
 &end
#
#  114 TYR  HB-          35 HIS  HB+         6.00    (#   3466:20  Unique         1.95, 3.58 A)
 &rst
  ixpk= 3466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1794,1795,
 igr2= 567, 568,
 &end
#
#    0 AMB  20-2:3467     0 AMB  20-1:3467   6.00    (#   3467:20  Double Ambig)
 &rst
  ixpk= 3467, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=2083,2084,1773,1774,
 igr2= 567, 568, 567, 568,
 &end
#
#    0 AMB  20-2:3474    92 GLN  HG-         6.00    (#   3474:20  Single Ambig)
 &rst
  ixpk= 3474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 890, 891, 887, 888,1433,
 igr2=1469,1470,
 &end
#
#    5 GLN  HA            0 AMB  20-1:3475   6.00    (#   3475:20  Single Ambig)
 &rst
  ixpk= 3475, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 141, 142, 110, 111,
 &end
#
#    8 PRO  HD+           8 PRO  HB-         6.00    (#   3476:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 3476, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 135, 136,
 igr2= 141, 142,
 &end
#
#    8 PRO  HG-           8 PRO  HB-         3.00    (#   3477:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 3477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 138, 139,
 igr2= 141, 142,
 &end
#
#    0 AMB  20-2:3484   138 LYS  HB-         5.00    (#   3484:20  Single Ambig)
 &rst
  ixpk= 3484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2201,2202,2235,2236,
 igr2=2173,2174,
 &end
#
#    0 AMB  20-2:3485     0 AMB  20-1:3485   3.00    (#   3485:20  Double Ambig)
 &rst
  ixpk= 3485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1280,1281,2176,2177, 730, 731,
 igr2=1277,1278,2173,2174, 727, 728,
 &end
#
#    8 PRO  HA            8 PRO  HB+         3.00    (#   3487:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 3487, nxpk= 20, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 141, 142,
 &end
#
#    0 AMB  20-2:3489     0 AMB  20-1:3489   4.00    (#   3489:20  Double Ambig)
 &rst
  ixpk= 3489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 507,  88,
 igr2=1884,1885, 141, 142,
 &end
#
#    9 GLU  HG+           8 PRO  HB+         4.00    (#   3490:20  Unique         3.06, 5.06 A)
 &rst
  ixpk= 3490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 155, 156,
 igr2= 141, 142,
 &end
#
#    0 AMB  20-2:3493     0 AMB  20-1:3493   4.00    (#   3493:20  Double Ambig)
 &rst
  ixpk= 3493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1431, 104, 105,
 igr2=1469,1470, 110, 111,
 &end
#
#   81 ILE  QD1          78 PRO  HB+         6.00    (#   3496:20  Unique         3.59, 5.44 A)
 &rst
  ixpk= 3496, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1308,1309,1310,
 igr2=1259,1260,
 &end
#
#   78 PRO  HD-          78 PRO  HB+         3.00    (#   3497:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 3497, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1253,1254,
 igr2=1259,1260,
 &end
#
#  138 LYS  HA          138 LYS  HB-         3.00    (#   3498:20  Unique         2.23, 2.60 A)
 &rst
  ixpk= 3498, nxpk= 20, iat=2171,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2173,2174,
 &end
#
#    0 AMB  20-2:3499     0 AMB  20-1:3499   3.00    (#   3499:20  Double Ambig)
 &rst
  ixpk= 3499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 678,1355,
 igr2= 727, 728,1277,1278,
 &end
#
#  138 LYS  HA          138 LYS  HB+         4.00    (#   3500:20  Unique         2.23, 2.60 A)
 &rst
  ixpk= 3500, nxpk= 20, iat=2171,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2173,2174,
 &end
#
#   45 LYS  HA           45 LYS  HB+         3.00    (#   3501:20  Unique         2.32, 2.70 A)
 &rst
  ixpk= 3501, nxpk= 20, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 727, 728,
 &end
#
#   10 LEU  MDX           8 PRO  HB+         6.00    (#   3503:20  Unique         4.67, 6.99 A)
 &rst
  ixpk= 3503, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 172, 173, 174, 176, 177, 178,
 igr2= 141, 142,
 &end
#
#    0 AMB  20-2:3504     0 AMB  20-1:3504   3.00    (#   3504:20  Double Ambig)
 &rst
  ixpk= 3504, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 138, 139,1614,1615,
 igr2= 141, 142, 141, 142,
 &end
#
#    0 AMB  20-2:3505   119 LYS  HB-         4.00    (#   3505:20  Single Ambig)
 &rst
  ixpk= 3505, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1882, 498, 499,
 igr2=1884,1885,
 &end
#
#    0 AMB  20-2:3507     0 AMB  20-1:3507   4.00    (#   3507:20  Double Ambig)
 &rst
  ixpk= 3507, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1882, 498, 499,
 igr2=1884,1885,1884,1885,
 &end
#
#    0 AMB  20-2:3508     0 AMB  20-1:3508   3.00    (#   3508:20  Double Ambig)
 &rst
  ixpk= 3508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1890,1891,1887,1888,
 igr2=1884,1885,1884,1885,
 &end
#
#  114 TYR  HB+          35 HIS  HB+         5.00    (#   3514:20  Unique         1.95, 3.58 A)
 &rst
  ixpk= 3514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1794,1795,
 igr2= 567, 568,
 &end
#
#   90 ILE  HA           92 GLN  HG-         6.00    (#   3516:20  Unique         3.48, 4.84 A)
 &rst
  ixpk= 3516, nxpk= 20, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1469,1470,
 &end
#
#   78 PRO  HD+          78 PRO  HB-         3.00    (#   3524:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 3524, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1253,1254,
 igr2=1259,1260,
 &end
#
#    8 PRO  HD+           8 PRO  HB-         6.00    (#   3526:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 3526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 135, 136,
 igr2= 141, 142,
 &end
#
#    0 AMB  20-2:3528     8 PRO  HB-         4.00    (#   3528:20  Single Ambig)
 &rst
  ixpk= 3528, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 138, 139,1614,1615,
 igr2= 141, 142,
 &end
#
#   78 PRO  HA           78 PRO  HB-         3.00    (#   3530:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 3530, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1259,1260,
 &end
#
#   78 PRO  HG-          78 PRO  HB-         3.00    (#   3531:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 3531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1256,1257,
 igr2=1259,1260,
 &end
#
#   78 PRO  HD+          78 PRO  HB+         3.00    (#   3533:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 3533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1253,1254,
 igr2=1259,1260,
 &end
#
#   78 PRO  HA           78 PRO  HB+         3.00    (#   3534:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 3534, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1259,1260,
 &end
#
#   48 MET  HB+          45 LYS  HB+         4.00    (#   3538:20  Unique         3.77, 5.02 A)
 &rst
  ixpk= 3538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 774, 775,
 igr2= 727, 728,
 &end
#
#   27 ILE  QG2         119 LYS  HB-         6.00    (#   3540:20  Unique         3.76, 5.51 A)
 &rst
  ixpk= 3540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 440, 441, 442,
 igr2=1884,1885,
 &end
#
#  109 GLU  HG-         109 GLU  HB-         3.00    (#   3541:20  Unique         2.28, 2.76 A)
 &rst
  ixpk= 3541, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1721,1722,
 igr2=1718,1719,
 &end
#
#  109 GLU  HA          109 GLU  HB-         3.00    (#   3542:20  Unique         2.52, 2.83 A)
 &rst
  ixpk= 3542, nxpk= 20, iat=1716,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1718,1719,
 &end
#
#  119 LYS  HG-         119 LYS  HB+         5.00    (#   3544:20  Unique         2.26, 2.73 A)
 &rst
  ixpk= 3544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1887,1888,
 igr2=1884,1885,
 &end
#
#   48 MET  HA          133 MET  HG-         6.00    (#   3552:20  Unique         5.93, 6.67 A)
 &rst
  ixpk= 3552, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2086,2087,
 &end
#
#    0 AMB  20-2:3554     0 AMB  20-1:3554   6.00    (#   3554:20  Double Ambig)
 &rst
  ixpk= 3554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=2074,2075,2056,2057,
 igr2=2086,2087,2122,2123,
 &end
#
#   65 VAL  HA           92 GLN  HG-         6.00    (#   3555:20  Unique         2.01, 4.12 A)
 &rst
  ixpk= 3555, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1469,1470,
 &end
#
#    0 AMB  20-2:3556    92 GLN  HG-         5.00    (#   3556:20  Single Ambig)
 &rst
  ixpk= 3556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 890, 891, 887, 888,1433,
 igr2=1469,1470,
 &end
#
#    0 AMB  20-2:3557     0 AMB  20-1:3557   6.00    (#   3557:20  Double Ambig)
 &rst
  ixpk= 3557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1=1047,1048,1049,1051,1052,1053,2139,2140,
 igr2=1469,1470,2122,2123,
 &end
#
#   90 ILE  HG1-         92 GLN  HG+         5.00    (#   3560:20  Unique         4.45, 6.55 A)
 &rst
  ixpk= 3560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1439,1440,
 igr2=1469,1470,
 &end
#
#   46 GLU  HG-          45 LYS  HB+         3.00    (#   3563:20  Unique         3.08, 4.61 A)
 &rst
  ixpk= 3563, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 752, 753,
 igr2= 727, 728,
 &end
#
#    0 AMB  20-2:3577     0 AMB  20-1:3577   3.00    (#   3577:20  Double Ambig)
 &rst
  ixpk= 3577, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 805, 806,2083,2084,   8,   9,
 igr2=2086,2087,2086,2087,  11,  12,
 &end
#
#  133 MET  HB+         133 MET  HG+         3.00    (#   3579:20  Unique         2.27, 2.73 A)
 &rst
  ixpk= 3579, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2083,2084,
 igr2=2086,2087,
 &end
#
#    0 AMB  20-2:3580     0 AMB  20-1:3580   5.00    (#   3580:20  Double Ambig)
 &rst
  ixpk= 3580, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
 igr1=2090,2091,2092,2106,2107,
 igr2=2086,2087,2122,2123,
 &end
#
#    0 AMB  20-2:3581     0 AMB  20-1:3581   6.00    (#   3581:20  Double Ambig)
 &rst
  ixpk= 3581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
 igr1=2106,2107,2176,2177,1439,1440,2198,2199,
 igr2=2122,2123,2122,2123,1469,1470,2122,2123,
 &end
#
#   90 ILE  QG2          92 GLN  HG+         6.00    (#   3582:20  Unique         2.00, 4.18 A)
 &rst
  ixpk= 3582, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1435,1436,1437,
 igr2=1469,1470,
 &end
#
#    1 MET  ME            1 MET  HG-         4.00    (#   3591:20  Unique         2.03, 3.51 A)
 &rst
  ixpk= 3591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  15,  16,  17,
 igr2=  11,  12,
 &end
#
#    0 AMB  20-2:3592     1 MET  HG-         4.00    (#   3592:20  Single Ambig)
 &rst
  ixpk= 3592, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1667,   6,
 igr2=  11,  12,
 &end
#
#  123 LEU  MDX           1 MET  HG-         5.00    (#   3593:20  Unique         2.19, 5.98 A)
 &rst
  ixpk= 3593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=  11,  12,
 &end
#
#    0 AMB  20-2:3595     0 AMB  20-1:3595   6.00    (#   3595:20  Double Ambig)
 &rst
  ixpk= 3595, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=2195,2196,1614,1615,
 igr2=2122,2123,  11,  12,
 &end
#
#    0 AMB  20-2:3596   135 MET  HB-         4.00    (#   3596:20  Single Ambig)
 &rst
  ixpk= 3596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2120,2056,2057,
 igr2=2122,2123,
 &end
#
#    0 AMB  20-2:3597     0 AMB  20-1:3597   4.00    (#   3597:20  Double Ambig)
 &rst
  ixpk= 3597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1667,   6,
 igr2=  11,  12,  11,  12,
 &end
#
#    0 AMB  20-2:3600     0 AMB  20-1:3600   3.00    (#   3600:20  Double Ambig)
 &rst
  ixpk= 3600, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=2129,2130,2131,  90,  91,
 igr2=2122,2123,  11,  12,
 &end
#
#    0 AMB  20-2:3601   133 MET  HG-         4.00    (#   3601:20  Single Ambig)
 &rst
  ixpk= 3601, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 805, 806,2083,2084,
 igr2=2086,2087,
 &end
#
#    1 MET  ME            1 MET  HG+         4.00    (#   3602:20  Unique         2.03, 3.51 A)
 &rst
  ixpk= 3602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  15,  16,  17,
 igr2=  11,  12,
 &end
#
#  123 LEU  MDX           1 MET  HG+         5.00    (#   3603:20  Unique         2.19, 5.98 A)
 &rst
  ixpk= 3603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=  11,  12,
 &end
#
#    0 AMB  20-2:3604     0 AMB  20-1:3604   6.00    (#   3604:20  Double Ambig)
 &rst
  ixpk= 3604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=2144,2145,2146,2148,2149,2150,1949,1950,1951,1953,
      1954,1955,
 igr2=2086,2087,  11,  12,
 &end
#
#  136 LEU  MDY         133 MET  HG-         6.00    (#   3605:20  Unique         1.98, 6.35 A)
 &rst
  ixpk= 3605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=2086,2087,
 &end
#
#  135 MET  HA          135 MET  HB+         4.00    (#   3606:20  Unique         2.34, 2.76 A)
 &rst
  ixpk= 3606, nxpk= 20, iat=2120,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2122,2123,
 &end
#
#  143 VAL  HA          143 VAL  HB          3.00    (#   3608:20  Unique         2.73, 2.87 A)
 &rst
  ixpk= 3608, nxpk= 20, iat=2271,2273, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  140 VAL  HA          143 VAL  HB          4.00    (#   3609:20  Unique         2.65, 2.95 A)
 &rst
  ixpk= 3609, nxpk= 20, iat=2217,2273, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  116 VAL  MGY         143 VAL  HB          3.00    (#   3610:20  Unique         2.16, 4.08 A)
 &rst
  ixpk= 3610, nxpk= 20, iat=  -1,2273, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1838,1839,1840,1842,1843,1844,
 &end
#
#  133 MET  ME          133 MET  HG+         6.00    (#   3618:20  Unique         2.52, 3.74 A)
 &rst
  ixpk= 3618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2090,2091,2092,
 igr2=2086,2087,
 &end
#
#    0 AMB  20-2:3619     0 AMB  20-1:3619   6.00    (#   3619:20  Double Ambig)
 &rst
  ixpk= 3619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=2106,2107,2176,2177,2198,2199,
 igr2=2122,2123,2122,2123,2122,2123,
 &end
#
#  135 MET  ME          135 MET  HB+         3.00    (#   3620:20  Unique         1.95, 3.55 A)
 &rst
  ixpk= 3620, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2129,2130,2131,
 igr2=2122,2123,
 &end
#
#    0 AMB  20-2:3623   143 VAL  HB          3.00    (#   3623:20  Single Ambig)
 &rst
  ixpk= 3623, nxpk= 20, iat=  -1,2273, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#  140 VAL  MGY         143 VAL  HB          6.00    (#   3624:20  Unique         3.60, 5.39 A)
 &rst
  ixpk= 3624, nxpk= 20, iat=  -1,2273, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#   71 ARG  HG-          71 ARG  HB+         3.00    (#   3631:20  Unique         2.36, 2.76 A)
 &rst
  ixpk= 3631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1154,1155,
 igr2=1151,1152,
 &end
#
#  144 LEU  HA          148 GLU  HB-         4.00    (#   3640:20  Unique         3.43, 4.21 A)
 &rst
  ixpk= 3640, nxpk= 20, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2347,2348,
 &end
#
#   71 ARG  HA           71 ARG  HB-         4.00    (#   3642:20  Unique         2.70, 2.88 A)
 &rst
  ixpk= 3642, nxpk= 20, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1151,1152,
 &end
#
#   71 ARG  HD-          71 ARG  HB-         5.00    (#   3643:20  Unique         2.13, 2.94 A)
 &rst
  ixpk= 3643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1157,1158,
 igr2=1151,1152,
 &end
#
#  140 VAL  MGX         140 VAL  HB          3.00    (#   3646:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 3646, nxpk= 20, iat=  -1,2219, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#  140 VAL  MGY         140 VAL  HB          3.00    (#   3647:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 3647, nxpk= 20, iat=  -1,2219, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#  137 GLU  HA          140 VAL  HB          5.00    (#   3649:20  Unique         2.92, 3.26 A)
 &rst
  ixpk= 3649, nxpk= 20, iat=2156,2219, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:3650   124 ARG  HB-         5.00    (#   3650:20  Single Ambig)
 &rst
  ixpk= 3650, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 igr2=1963,1964,
 &end
#
#   71 ARG  HD-          71 ARG  HB-         5.00    (#   3656:20  Unique         2.13, 2.94 A)
 &rst
  ixpk= 3656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1157,1158,
 igr2=1151,1152,
 &end
#
#  140 VAL  HA          140 VAL  HB          5.00    (#   3657:20  Unique         2.52, 2.89 A)
 &rst
  ixpk= 3657, nxpk= 20, iat=2217,2219, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  147 THR  HA          148 GLU  HB+         5.00    (#   3659:20  Unique         4.43, 5.27 A)
 &rst
  ixpk= 3659, nxpk= 20, iat=2331,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2347,2348,
 &end
#
#   71 ARG  HA           71 ARG  HB+         5.00    (#   3669:20  Unique         2.70, 2.88 A)
 &rst
  ixpk= 3669, nxpk= 20, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1151,1152,
 &end
#
#   71 ARG  HD-          71 ARG  HB+         5.00    (#   3670:20  Unique         2.13, 2.94 A)
 &rst
  ixpk= 3670, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1157,1158,
 igr2=1151,1152,
 &end
#
#   49 PRO  HA           49 PRO  HB-         4.00    (#   3685:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 3685, nxpk= 20, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 794, 795,
 &end
#
#   49 PRO  HD+          49 PRO  HB-         6.00    (#   3686:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 3686, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 788, 789,
 igr2= 794, 795,
 &end
#
#   49 PRO  HD-          49 PRO  HB-         5.00    (#   3687:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 3687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 788, 789,
 igr2= 794, 795,
 &end
#
#  148 GLU  HG+         148 GLU  HB-         3.00    (#   3692:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 3692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2350,2351,
 igr2=2347,2348,
 &end
#
#   51 VAL  MGY          51 VAL  HB          3.00    (#   3694:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 3694, nxpk= 20, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#   71 ARG  HA           69 MET  HG-         4.00    (#   3695:20  Unique         3.34, 4.00 A)
 &rst
  ixpk= 3695, nxpk= 20, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1123,1124,
 &end
#
#    0 AMB  20-2:3696    69 MET  HG-         3.00    (#   3696:20  Single Ambig)
 &rst
  ixpk= 3696, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1151,1152,1704,1705,1154,1155,
 igr2=1123,1124,
 &end
#
#  148 GLU  HG+         148 GLU  HB+         3.00    (#   3699:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 3699, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2350,2351,
 igr2=2347,2348,
 &end
#
#   20 GLU  HA           20 GLU  HB-         4.00    (#   3709:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 3709, nxpk= 20, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 318, 319,
 &end
#
#   20 GLU  HG-          20 GLU  HB-         5.00    (#   3710:20  Unique         2.27, 2.69 A)
 &rst
  ixpk= 3710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 321, 322,
 igr2= 318, 319,
 &end
#
#   20 GLU  HG+          20 GLU  HB-         5.00    (#   3711:20  Unique         2.27, 2.69 A)
 &rst
  ixpk= 3711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 321, 322,
 igr2= 318, 319,
 &end
#
#   20 GLU  HG-          20 GLU  HB-         4.00    (#   3712:20  Unique         2.27, 2.69 A)
 &rst
  ixpk= 3712, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 321, 322,
 igr2= 318, 319,
 &end
#
#   20 GLU  HG+          20 GLU  HB+         5.00    (#   3713:20  Unique         2.27, 2.69 A)
 &rst
  ixpk= 3713, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 321, 322,
 igr2= 318, 319,
 &end
#
#   51 VAL  HA           51 VAL  HB          5.00    (#   3723:20  Unique         2.69, 2.81 A)
 &rst
  ixpk= 3723, nxpk= 20, iat= 820, 822, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 MET  HA           51 VAL  HB          3.00    (#   3724:20  Unique         2.72, 3.00 A)
 &rst
  ixpk= 3724, nxpk= 20, iat= 772, 822, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   51 VAL  MGX          51 VAL  HB          4.00    (#   3725:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 3725, nxpk= 20, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#   51 VAL  HA           51 VAL  HB          5.00    (#   3726:20  Unique         2.69, 2.81 A)
 &rst
  ixpk= 3726, nxpk= 20, iat= 820, 822, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 PRO  HA           49 PRO  HB+         3.00    (#   3730:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 3730, nxpk= 20, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 794, 795,
 &end
#
#   20 GLU  HA           20 GLU  HB+         4.00    (#   3737:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 3737, nxpk= 20, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 318, 319,
 &end
#
#   70 PRO  HD-          69 MET  HG+         5.00    (#   3741:20  Unique         2.60, 4.18 A)
 &rst
  ixpk= 3741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1134,1135,
 igr2=1123,1124,
 &end
#
#    0 AMB  20-2:3743     0 AMB  20-1:3743   3.00    (#   3743:20  Double Ambig)
 &rst
  ixpk= 3743, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1127,1128,1129,1120,1121,
 igr2=1123,1124,1123,1124,
 &end
#
#   70 PRO  HD-          69 MET  HG-         5.00    (#   3747:20  Unique         2.60, 4.18 A)
 &rst
  ixpk= 3747, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1134,1135,
 igr2=1123,1124,
 &end
#
#  103 THR  MG2          69 MET  HG+         6.00    (#   3758:20  Unique         4.45, 7.62 A)
 &rst
  ixpk= 3758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1635,1636,1637,
 igr2=1123,1124,
 &end
#
#   57 LYS  HE-          55 ARG  HB-         6.00    (#   3759:20  Unique         6.36, 7.54 A)
 &rst
  ixpk= 3759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 932, 933,
 igr2= 887, 888,
 &end
#
#    4 ARG  HA          122 GLN  HB-         5.00    (#   3760:20  Unique         2.97, 4.88 A)
 &rst
  ixpk= 3760, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1927,1928,
 &end
#
#  122 GLN  HA          122 GLN  HB-         4.00    (#   3761:20  Unique         2.26, 2.69 A)
 &rst
  ixpk= 3761, nxpk= 20, iat=1925,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1927,1928,
 &end
#
#    4 ARG  HA          122 GLN  HB+         5.00    (#   3763:20  Unique         2.97, 4.88 A)
 &rst
  ixpk= 3763, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1927,1928,
 &end
#
#  122 GLN  HG-         122 GLN  HB+         3.00    (#   3764:20  Unique         2.30, 2.77 A)
 &rst
  ixpk= 3764, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1930,1931,
 igr2=1927,1928,
 &end
#
#   52 ASN  HA           55 ARG  HB-         6.00    (#   3768:20  Unique         2.06, 3.34 A)
 &rst
  ixpk= 3768, nxpk= 20, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 887, 888,
 &end
#
#   22 THR  HB           23 ARG  HB+         6.00    (#   3773:20  Unique         4.23, 5.40 A)
 &rst
  ixpk= 3773, nxpk= 20, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 363, 364,
 &end
#
#   10 LEU  MDX          23 ARG  HB+         6.00    (#   3775:20  Unique         1.98, 5.05 A)
 &rst
  ixpk= 3775, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 172, 173, 174, 176, 177, 178,
 igr2= 363, 364,
 &end
#
#    0 AMB  20-2:3776     0 AMB  20-1:3776   6.00    (#   3776:20  Double Ambig)
 &rst
  ixpk= 3776, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 447, 448, 449, 424, 425, 426, 428, 429, 430,
 igr2= 363, 364, 363, 364,
 &end
#
#   52 ASN  HA           55 ARG  HB+         6.00    (#   3777:20  Unique         2.06, 3.34 A)
 &rst
  ixpk= 3777, nxpk= 20, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 887, 888,
 &end
#
#  122 GLN  HA          122 GLN  HB+         4.00    (#   3778:20  Unique         2.26, 2.69 A)
 &rst
  ixpk= 3778, nxpk= 20, iat=1925,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1927,1928,
 &end
#
#   55 ARG  HA           55 ARG  HB-         6.00    (#   3782:20  Unique         2.33, 2.79 A)
 &rst
  ixpk= 3782, nxpk= 20, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 887, 888,
 &end
#
#   55 ARG  HA           55 ARG  HB-         6.00    (#   3783:20  Unique         2.33, 2.79 A)
 &rst
  ixpk= 3783, nxpk= 20, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 887, 888,
 &end
#
#   54 PHE  HB+          55 ARG  HB+         6.00    (#   3786:20  Unique         4.12, 5.63 A)
 &rst
  ixpk= 3786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 867, 868,
 igr2= 887, 888,
 &end
#
#   88 HIS  HA           88 HIS  HB-         4.00    (#   3790:20  Unique         2.30, 2.76 A)
 &rst
  ixpk= 3790, nxpk= 20, iat=1402,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1404,1405,
 &end
#
#    0 AMB  20-2:3801     9 GLU  HB-         3.00    (#   3801:20  Single Ambig)
 &rst
  ixpk= 3801, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 155, 156, 141, 142,
 igr2= 152, 153,
 &end
#
#    8 PRO  HA            9 GLU  HB+         6.00    (#   3808:20  Unique         4.52, 5.42 A)
 &rst
  ixpk= 3808, nxpk= 20, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 152, 153,
 &end
#
#   23 ARG  HA           23 ARG  HB+         3.00    (#   3809:20  Unique         2.34, 2.51 A)
 &rst
  ixpk= 3809, nxpk= 20, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 363, 364,
 &end
#
#   22 THR  HB           23 ARG  HB+         6.00    (#   3810:20  Unique         4.23, 5.40 A)
 &rst
  ixpk= 3810, nxpk= 20, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 363, 364,
 &end
#
#   10 LEU  MDX          23 ARG  HB+         6.00    (#   3813:20  Unique         1.98, 5.05 A)
 &rst
  ixpk= 3813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 172, 173, 174, 176, 177, 178,
 igr2= 363, 364,
 &end
#
#   88 HIS  HA           88 HIS  HB+         5.00    (#   3817:20  Unique         2.30, 2.76 A)
 &rst
  ixpk= 3817, nxpk= 20, iat=1402,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1404,1405,
 &end
#
#   52 ASN  HA           55 ARG  HB-         6.00    (#   3818:20  Unique         2.06, 3.34 A)
 &rst
  ixpk= 3818, nxpk= 20, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 887, 888,
 &end
#
#    9 GLU  HG-           9 GLU  HB+         3.00    (#   3823:20  Unique         2.31, 2.72 A)
 &rst
  ixpk= 3823, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 155, 156,
 igr2= 152, 153,
 &end
#
#   42 HIS  HA           42 HIS  HB+         4.00    (#   3828:20  Unique         2.22, 2.66 A)
 &rst
  ixpk= 3828, nxpk= 20, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 680, 681,
 &end
#
#   85 ALA  HA           88 HIS  HB-         6.00    (#   3829:20  Unique         1.98, 3.21 A)
 &rst
  ixpk= 3829, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1404,1405,
 &end
#
#   15 ALA  MB           68 HIS  HB+         5.00    (#   3837:20  Unique         5.71, 7.17 A)
 &rst
  ixpk= 3837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 244, 245, 246,
 igr2=1103,1104,
 &end
#
#   99 ASP  HB-          13 GLU  HB-         6.00    (#   3840:20  Unique         3.68, 6.75 A)
 &rst
  ixpk= 3840, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1575,1576,
 igr2= 207, 208,
 &end
#
#    9 GLU  HA            9 GLU  HB-         3.00    (#   3842:20  Unique         2.34, 2.63 A)
 &rst
  ixpk= 3842, nxpk= 20, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 152, 153,
 &end
#
#   11 THR  MG2           9 GLU  HB-         4.00    (#   3843:20  Unique         2.02, 4.66 A)
 &rst
  ixpk= 3843, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 188, 189, 190,
 igr2= 152, 153,
 &end
#
#   11 THR  MG2           9 GLU  HB+         4.00    (#   3846:20  Unique         2.02, 4.66 A)
 &rst
  ixpk= 3846, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 188, 189, 190,
 igr2= 152, 153,
 &end
#
#   29 GLU  HA          119 LYS  HD+         4.00    (#   3848:20  Unique         1.99, 2.65 A)
 &rst
  ixpk= 3848, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1890,1891,
 &end
#
#  119 LYS  HE+         119 LYS  HD-         3.00    (#   3849:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 3849, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1893,1894,
 igr2=1890,1891,
 &end
#
#    0 AMB  20-2:3858    42 HIS  HB-         5.00    (#   3858:20  Single Ambig)
 &rst
  ixpk= 3858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 697, 698, 727, 728,1770,1771,
 igr2= 680, 681,
 &end
#
#   42 HIS  HA           42 HIS  HB-         4.00    (#   3859:20  Unique         2.22, 2.66 A)
 &rst
  ixpk= 3859, nxpk= 20, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 680, 681,
 &end
#
#    0 AMB  20-2:3862     0 AMB  20-1:3862   5.00    (#   3862:20  Double Ambig)
 &rst
  ixpk= 3862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 697, 698, 727, 728,1770,1771,
 igr2= 680, 681, 680, 681, 680, 681,
 &end
#
#   96 VAL  HA           68 HIS  HB-         5.00    (#   3867:20  Unique         1.99, 3.59 A)
 &rst
  ixpk= 3867, nxpk= 20, iat=1534,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1103,1104,
 &end
#
#   96 VAL  MGY          68 HIS  HB+         3.00    (#   3875:20  Unique         1.96, 4.17 A)
 &rst
  ixpk= 3875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1538,1539,1540,1542,1543,1544,
 igr2=1103,1104,
 &end
#
#   83 GLU  HA           83 GLU  HB-         3.00    (#   3876:20  Unique         2.38, 2.81 A)
 &rst
  ixpk= 3876, nxpk= 20, iat=1338,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1340,1341,
 &end
#
#   83 GLU  HG-          83 GLU  HB-         3.00    (#   3877:20  Unique         2.27, 2.70 A)
 &rst
  ixpk= 3877, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1343,1344,
 igr2=1340,1341,
 &end
#
#    0 AMB  20-2:3879     0 AMB  20-1:3879   3.00    (#   3879:20  Double Ambig)
 &rst
  ixpk= 3879, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2252,2253,2252,2253,
 igr2=2249,2250,2249,2250,
 &end
#
#    0 AMB  20-2:3880     0 AMB  20-1:3880   4.00    (#   3880:20  Double Ambig)
 &rst
  ixpk= 3880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=2195,2196,2308,2309,2310,
 igr2=2249,2250,2249,2250,
 &end
#
#  142 ARG  HD+         142 ARG  HB+         4.00    (#   3881:20  Unique         2.24, 3.36 A)
 &rst
  ixpk= 3881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2255,2256,
 igr2=2249,2250,
 &end
#
#  139 ARG  HD-         142 ARG  HB+         5.00    (#   3882:20  Unique         2.74, 4.08 A)
 &rst
  ixpk= 3882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2201,2202,
 igr2=2249,2250,
 &end
#
#    8 PRO  HA            9 GLU  HB+         6.00    (#   3887:20  Unique         4.52, 5.42 A)
 &rst
  ixpk= 3887, nxpk= 20, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 152, 153,
 &end
#
#    8 PRO  HD-           9 GLU  HB+         6.00    (#   3888:20  Unique         4.67, 6.54 A)
 &rst
  ixpk= 3888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 135, 136,
 igr2= 152, 153,
 &end
#
#    0 AMB  20-2:3891     0 AMB  20-1:3891   6.00    (#   3891:20  Double Ambig)
 &rst
  ixpk= 3891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1882,2345,
 igr2=1890,1891,1890,1891,
 &end
#
#  119 LYS  HE+         119 LYS  HD+         3.00    (#   3892:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 3892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1893,1894,
 igr2=1890,1891,
 &end
#
#  119 LYS  HG-         119 LYS  HD+         3.00    (#   3893:20  Unique         2.27, 2.74 A)
 &rst
  ixpk= 3893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1887,1888,
 igr2=1890,1891,
 &end
#
#    0 AMB  20-2:3894   119 LYS  HD-         6.00    (#   3894:20  Single Ambig)
 &rst
  ixpk= 3894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1882,2345,
 igr2=1890,1891,
 &end
#
#   29 GLU  HA          119 LYS  HD-         5.00    (#   3895:20  Unique         1.99, 2.65 A)
 &rst
  ixpk= 3895, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1890,1891,
 &end
#
#  119 LYS  HG-         119 LYS  HD-         4.00    (#   3896:20  Unique         2.27, 2.74 A)
 &rst
  ixpk= 3896, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1887,1888,
 igr2=1890,1891,
 &end
#
#   57 LYS  HA           57 LYS  HD-         5.00    (#   3898:20  Unique         2.09, 4.08 A)
 &rst
  ixpk= 3898, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 929, 930,
 &end
#
#   57 LYS  HE-          57 LYS  HD-         4.00    (#   3899:20  Unique         2.27, 2.71 A)
 &rst
  ixpk= 3899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 932, 933,
 igr2= 929, 930,
 &end
#
#   53 GLU  HG-          57 LYS  HD-         5.00    (#   3900:20  Unique         2.26, 4.84 A)
 &rst
  ixpk= 3900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 855, 856,
 igr2= 929, 930,
 &end
#
#   57 LYS  HG-          57 LYS  HD-         3.00    (#   3901:20  Unique         2.28, 2.68 A)
 &rst
  ixpk= 3901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 926, 927,
 igr2= 929, 930,
 &end
#
#   57 LYS  HG+          57 LYS  HD-         4.00    (#   3902:20  Unique         2.28, 2.68 A)
 &rst
  ixpk= 3902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 926, 927,
 igr2= 929, 930,
 &end
#
#   57 LYS  HE-          57 LYS  HD+         4.00    (#   3905:20  Unique         2.27, 2.71 A)
 &rst
  ixpk= 3905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 932, 933,
 igr2= 929, 930,
 &end
#
#   45 LYS  HD+          42 HIS  HB-         6.00    (#   3912:20  Unique         5.55, 7.04 A)
 &rst
  ixpk= 3912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 733, 734,
 igr2= 680, 681,
 &end
#
#   68 HIS  HA           68 HIS  HB-         5.00    (#   3929:20  Unique         2.24, 2.77 A)
 &rst
  ixpk= 3929, nxpk= 20, iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1103,1104,
 &end
#
#    8 PRO  HD-           5 GLN  HB+         6.00    (#   3933:20  Unique         2.75, 5.32 A)
 &rst
  ixpk= 3933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 135, 136,
 igr2=  90,  91,
 &end
#
#    0 AMB  20-2:3935     0 AMB  20-1:3935   3.00    (#   3935:20  Double Ambig)
 &rst
  ixpk= 3935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  88, 331,
 igr2=  90,  91, 402, 403,
 &end
#
#    6 PRO  HD-           5 GLN  HB+         5.00    (#   3936:20  Unique         3.80, 4.68 A)
 &rst
  ixpk= 3936, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 104, 105,
 igr2=  90,  91,
 &end
#
#   21 VAL  MGX          25 GLN  HB-         4.00    (#   3939:20  Unique         1.95, 4.23 A)
 &rst
  ixpk= 3939, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 335, 336, 337, 339, 340, 341,
 igr2= 402, 403,
 &end
#
#    0 AMB  20-2:3941     0 AMB  20-1:3941   5.00    (#   3941:20  Double Ambig)
 &rst
  ixpk= 3941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1402, 762,1143,
 igr2=1389,1390, 749, 750,1103,1104,
 &end
#
#    0 AMB  20-2:3942     0 AMB  20-1:3942   3.00    (#   3942:20  Double Ambig)
 &rst
  ixpk= 3942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1534,1387,
 igr2=1103,1104,1389,1390,
 &end
#
#    0 AMB  20-2:3945     0 AMB  20-1:3945   3.00    (#   3945:20  Double Ambig)
 &rst
  ixpk= 3945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=2176,2177,2195,2196,1357,1358,1359,1379,1380,1381,
      1280,1281,1299,1321,1322,1321,1322,
 igr2=2158,2159,2249,2250,1389,1390,1340,1341,1103,1104,
      
 &end
#
#  139 ARG  HB+         142 ARG  HB-         5.00    (#   3946:20  Unique         3.71, 5.39 A)
 &rst
  ixpk= 3946, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2195,2196,
 igr2=2249,2250,
 &end
#
#   96 VAL  MGX          68 HIS  HB+         3.00    (#   3947:20  Unique         1.96, 4.17 A)
 &rst
  ixpk= 3947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1538,1539,1540,1542,1543,1544,
 igr2=1103,1104,
 &end
#
#    0 AMB  20-2:3948     0 AMB  20-1:3948   3.00    (#   3948:20  Double Ambig)
 &rst
  ixpk= 3948, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=2074,2075,2247, 695, 747,
 igr2= 749, 750,2249,2250,
 &end
#
#  137 GLU  HA          137 GLU  HB-         4.00    (#   3949:20  Unique         2.26, 2.80 A)
 &rst
  ixpk= 3949, nxpk= 20, iat=2156,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2158,2159,
 &end
#
#    0 AMB  20-2:3950     0 AMB  20-1:3950   4.00    (#   3950:20  Double Ambig)
 &rst
  ixpk= 3950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1=2176,2177,2198,2199, 700,
 igr2=2158,2159,2249,2250, 749, 750,
 &end
#
#    0 AMB  20-2:3953     0 AMB  20-1:3953   3.00    (#   3953:20  Double Ambig)
 &rst
  ixpk= 3953, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  88, 331,
 igr2=  90,  91, 402, 403,
 &end
#
#   86 ALA  MB           87 GLU  HB+         4.00    (#   3955:20  Unique         4.08, 5.92 A)
 &rst
  ixpk= 3955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1379,1380,1381,
 igr2=1389,1390,
 &end
#
#  142 ARG  HD+         142 ARG  HB+         4.00    (#   3963:20  Unique         2.24, 3.36 A)
 &rst
  ixpk= 3963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2255,2256,
 igr2=2249,2250,
 &end
#
#   61 GLN  HA           30 LYS  HD+         6.00    (#   3971:20  Unique         3.25, 4.74 A)
 &rst
  ixpk= 3971, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 485, 486,
 &end
#
#   57 LYS  HA           57 LYS  HD+         6.00    (#   3973:20  Unique         2.09, 4.08 A)
 &rst
  ixpk= 3973, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 929, 930,
 &end
#
#   57 LYS  HG-          57 LYS  HD+         4.00    (#   3974:20  Unique         2.28, 2.68 A)
 &rst
  ixpk= 3974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 926, 927,
 igr2= 929, 930,
 &end
#
#   57 LYS  HG+          57 LYS  HD+         4.00    (#   3975:20  Unique         2.28, 2.68 A)
 &rst
  ixpk= 3975, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 926, 927,
 igr2= 929, 930,
 &end
#
#    1 MET  HA            5 GLN  HB+         5.00    (#   4000:20  Unique         1.94, 4.37 A)
 &rst
  ixpk= 4000, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  90,  91,
 &end
#
#    1 MET  ME            5 GLN  HB+         3.00    (#   4001:20  Unique         2.01, 4.30 A)
 &rst
  ixpk= 4001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  15,  16,  17,
 igr2=  90,  91,
 &end
#
#    0 AMB  20-2:4002     0 AMB  20-1:4002   5.00    (#   4002:20  Double Ambig)
 &rst
  ixpk= 4002, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 138, 139,  28,  29,
 igr2=  90,  91,  90,  91,
 &end
#
#   25 GLN  HA           25 GLN  HB-         3.00    (#   4004:20  Unique         2.54, 2.83 A)
 &rst
  ixpk= 4004, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 402, 403,
 &end
#
#  146 GLU  HA          146 GLU  HB-         3.00    (#   4006:20  Unique         2.33, 2.67 A)
 &rst
  ixpk= 4006, nxpk= 20, iat=2316,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2318,2319,
 &end
#
#  146 GLU  HG-         146 GLU  HB-         3.00    (#   4007:20  Unique         2.26, 2.68 A)
 &rst
  ixpk= 4007, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2321,2322,
 igr2=2318,2319,
 &end
#
#  137 GLU  HA          137 GLU  HB+         4.00    (#   4009:20  Unique         2.26, 2.80 A)
 &rst
  ixpk= 4009, nxpk= 20, iat=2156,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2158,2159,
 &end
#
#    0 AMB  20-2:4010     0 AMB  20-1:4010   4.00    (#   4010:20  Double Ambig)
 &rst
  ixpk= 4010, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 104, 105,2137,
 igr2=  90,  91,2158,2159,
 &end
#
#    0 AMB  20-2:4011     0 AMB  20-1:4011   4.00    (#   4011:20  Double Ambig)
 &rst
  ixpk= 4011, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2179,2180, 333,  15,  16,  17,
 igr2=2158,2159, 402, 403,  90,  91,
 &end
#
#    0 AMB  20-2:4012     0 AMB  20-1:4012   5.00    (#   4012:20  Double Ambig)
 &rst
  ixpk= 4012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 138, 139,2142,2139,2140,
 igr2=  90,  91,2158,2159,2158,2159,
 &end
#
#   21 VAL  MGX          25 GLN  HB+         4.00    (#   4013:20  Unique         1.95, 4.23 A)
 &rst
  ixpk= 4013, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 335, 336, 337, 339, 340, 341,
 igr2= 402, 403,
 &end
#
#   25 GLN  HA           25 GLN  HB+         3.00    (#   4014:20  Unique         2.54, 2.83 A)
 &rst
  ixpk= 4014, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 402, 403,
 &end
#
#   52 ASN  HB+          53 GLU  HB+         5.00    (#   4015:20  Unique         3.96, 5.97 A)
 &rst
  ixpk= 4015, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 838, 839,
 igr2= 852, 853,
 &end
#
#   82 LYS  HA           82 LYS  HD+         4.00    (#   4023:20  Unique         1.96, 3.09 A)
 &rst
  ixpk= 4023, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1324,1325,
 &end
#
#   17 LEU  MDY          82 LYS  HD+         3.00    (#   4025:20  Unique         1.97, 4.19 A)
 &rst
  ixpk= 4025, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 283, 284, 285, 287, 288, 289,
 igr2=1324,1325,
 &end
#
#   29 GLU  HB-         119 LYS  HD-         6.00    (#   4028:20  Unique         3.95, 5.04 A)
 &rst
  ixpk= 4028, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 464, 465,
 igr2=1890,1891,
 &end
#
#    0 AMB  20-2:4031     0 AMB  20-1:4031   6.00    (#   4031:20  Double Ambig)
 &rst
  ixpk= 4031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 995, 996, 998, 999,
 igr2= 485, 486, 485, 486,
 &end
#
#   29 GLU  HB+          30 LYS  HD+         4.00    (#   4033:20  Unique         2.86, 5.22 A)
 &rst
  ixpk= 4033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 464, 465,
 igr2= 485, 486,
 &end
#
#   61 GLN  HA           30 LYS  HD-         5.00    (#   4034:20  Unique         3.25, 4.74 A)
 &rst
  ixpk= 4034, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 485, 486,
 &end
#
#   29 GLU  HG-          30 LYS  HD-         5.00    (#   4035:20  Unique         2.07, 5.12 A)
 &rst
  ixpk= 4035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 467, 468,
 igr2= 485, 486,
 &end
#
#   87 GLU  HA           87 GLU  HB+         3.00    (#   4043:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 4043, nxpk= 20, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1389,1390,
 &end
#
#    8 PRO  HD-           5 GLN  HB-         5.00    (#   4044:20  Unique         2.75, 5.32 A)
 &rst
  ixpk= 4044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 135, 136,
 igr2=  90,  91,
 &end
#
#    0 AMB  20-2:4045     0 AMB  20-1:4045   3.00    (#   4045:20  Double Ambig)
 &rst
  ixpk= 4045, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 803, 850,1562,
 igr2= 852, 853, 852, 853, 207, 208,
 &end
#
#    0 AMB  20-2:4050     0 AMB  20-1:4050   5.00    (#   4050:20  Double Ambig)
 &rst
  ixpk= 4050, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=1343,1344, 777, 778,
 igr2=1324,1325, 733, 734,
 &end
#
#    0 AMB  20-2:4051     0 AMB  20-1:4051   3.00    (#   4051:20  Double Ambig)
 &rst
  ixpk= 4051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 283, 284, 285, 287, 288, 289, 648, 649, 650,
 igr2=1324,1325,1283,1284,
 &end
#
#   30 LYS  HB+          30 LYS  HD+         3.00    (#   4055:20  Unique         1.99, 3.01 A)
 &rst
  ixpk= 4055, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 479, 480,
 igr2= 485, 486,
 &end
#
#   30 LYS  HB+          30 LYS  HD-         4.00    (#   4057:20  Unique         1.99, 3.01 A)
 &rst
  ixpk= 4057, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 479, 480,
 igr2= 485, 486,
 &end
#
#    0 AMB  20-2:4063    53 GLU  HB-         3.00    (#   4063:20  Single Ambig)
 &rst
  ixpk= 4063, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 803, 850,
 igr2= 852, 853,
 &end
#
#    0 AMB  20-2:4064     0 AMB  20-1:4064   6.00    (#   4064:20  Double Ambig)
 &rst
  ixpk= 4064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=2182,2183,2109,2110,
 igr2=2158,2159,2158,2159,
 &end
#
#   49 PRO  HD-          50 GLN  HB+         6.00    (#   4067:20  Unique         3.74, 5.52 A)
 &rst
  ixpk= 4067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 788, 789,
 igr2= 805, 806,
 &end
#
#    0 AMB  20-2:4069     0 AMB  20-1:4069   3.00    (#   4069:20  Double Ambig)
 &rst
  ixpk= 4069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1244,1245, 716, 717,
 igr2=1283,1284, 733, 734,
 &end
#
#    0 AMB  20-2:4070     0 AMB  20-1:4070   3.00    (#   4070:20  Double Ambig)
 &rst
  ixpk= 4070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1321,1322,1321,1322, 730, 731,1379,1380,1381,
 igr2=1324,1325,1324,1325, 733, 734,1324,1325,
 &end
#
#  138 LYS  HA          138 LYS  HD+         4.00    (#   4071:20  Unique         2.04, 3.30 A)
 &rst
  ixpk= 4071, nxpk= 20, iat=2171,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2179,2180,
 &end
#
#   44 CYS  HA           44 CYS  HB+         6.00    (#   4083:20  Unique         2.27, 2.65 A)
 &rst
  ixpk= 4083, nxpk= 20, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 716, 717,
 &end
#
#   51 VAL  MGY          50 GLN  HB-         6.00    (#   4090:20  Unique         3.91, 6.50 A)
 &rst
  ixpk= 4090, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 824, 825, 826, 828, 829, 830,
 igr2= 805, 806,
 &end
#
#    0 AMB  20-2:4096     0 AMB  20-1:4096   3.00    (#   4096:20  Double Ambig)
 &rst
  ixpk= 4096, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1189,1190, 390, 391,
 igr2=1186,1187, 387, 388,
 &end
#
#    0 AMB  20-2:4097     0 AMB  20-1:4097   3.00    (#   4097:20  Double Ambig)
 &rst
  ixpk= 4097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 803,2074,2075,
 igr2= 805, 806, 805, 806,
 &end
#
#    0 AMB  20-2:4101     0 AMB  20-1:4101   3.00    (#   4101:20  Double Ambig)
 &rst
  ixpk= 4101, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1286,1287, 736, 737,
 igr2=1283,1284, 733, 734,
 &end
#
#    0 AMB  20-2:4102     0 AMB  20-1:4102   4.00    (#   4102:20  Double Ambig)
 &rst
  ixpk= 4102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1201,1202,1343,1344, 777, 778,
 igr2=1283,1284,1324,1325, 733, 734,
 &end
#
#    0 AMB  20-2:4104     0 AMB  20-1:4104   3.00    (#   4104:20  Double Ambig)
 &rst
  ixpk= 4104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  25,  26,1277,1278,
 igr2=  31,  32,1283,1284,
 &end
#
#   47 ALA  MB           44 CYS  HB-         6.00    (#   4112:20  Unique         4.36, 6.05 A)
 &rst
  ixpk= 4112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 764, 765, 766,
 igr2= 716, 717,
 &end
#
#    0 AMB  20-2:4118     0 AMB  20-1:4118   4.00    (#   4118:20  Double Ambig)
 &rst
  ixpk= 4118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 762, 909,
 igr2= 805, 806, 966, 967,
 &end
#
#   76 LEU  MDY          73 GLU  HB-         3.00    (#   4119:20  Unique         2.23, 5.48 A)
 &rst
  ixpk= 4119, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1230,1231,1232,1234,1235,1236,
 igr2=1186,1187,
 &end
#
#    0 AMB  20-2:4126     0 AMB  20-1:4126   3.00    (#   4126:20  Double Ambig)
 &rst
  ixpk= 4126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 385,1184,
 igr2= 387, 388,1186,1187,
 &end
#
#   49 PRO  HD-          50 GLN  HB+         6.00    (#   4128:20  Unique         3.74, 5.52 A)
 &rst
  ixpk= 4128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 788, 789,
 igr2= 805, 806,
 &end
#
#    2 LYS  HA            2 LYS  HD+         4.00    (#   4130:20  Unique         2.25, 4.41 A)
 &rst
  ixpk= 4130, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  31,  32,
 &end
#
#   44 CYS  HA           45 LYS  HD-         5.00    (#   4131:20  Unique         4.25, 4.91 A)
 &rst
  ixpk= 4131, nxpk= 20, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 733, 734,
 &end
#
#    2 LYS  HG-           2 LYS  HD+         3.00    (#   4133:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 4133, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  28,  29,
 igr2=  31,  32,
 &end
#
#  139 ARG  HA          139 ARG  HB-         6.00    (#   4136:20  Unique         2.49, 2.86 A)
 &rst
  ixpk= 4136, nxpk= 20, iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2195,2196,
 &end
#
#  138 LYS  HG+         139 ARG  HB+         5.00    (#   4140:20  Unique         3.79, 6.28 A)
 &rst
  ixpk= 4140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2176,2177,
 igr2=2195,2196,
 &end
#
#  133 MET  HG+          50 GLN  HB+         6.00    (#   4153:20  Unique         1.97, 3.73 A)
 &rst
  ixpk= 4153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2086,2087,
 igr2= 805, 806,
 &end
#
#    0 AMB  20-2:4155     0 AMB  20-1:4155   3.00    (#   4155:20  Double Ambig)
 &rst
  ixpk= 4155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 557, 558, 559, 172, 173, 174, 176, 177, 178,
 igr2= 554, 555, 554, 555,
 &end
#
#   34 ILE  QG2          34 ILE  HG1+        5.00    (#   4157:20  Unique         2.00, 3.29 A)
 &rst
  ixpk= 4157, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 550, 551, 552,
 igr2= 554, 555,
 &end
#
#    0 AMB  20-2:4160   139 ARG  HB-         5.00    (#   4160:20  Single Ambig)
 &rst
  ixpk= 4160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 igr2=2195,2196,
 &end
#
#  139 ARG  HA          139 ARG  HB+         5.00    (#   4162:20  Unique         2.49, 2.86 A)
 &rst
  ixpk= 4162, nxpk= 20, iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2195,2196,
 &end
#
#  136 LEU  MDY         139 ARG  HB+         6.00    (#   4163:20  Unique         2.22, 4.85 A)
 &rst
  ixpk= 4163, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=2195,2196,
 &end
#
#    0 AMB  20-2:4165    34 ILE  HG1-        3.00    (#   4165:20  Single Ambig)
 &rst
  ixpk= 4165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 557, 558, 559, 172, 173, 174, 176, 177, 178,
 igr2= 554, 555,
 &end
#
#   34 ILE  QG2          34 ILE  HG1-        5.00    (#   4166:20  Unique         2.00, 3.29 A)
 &rst
  ixpk= 4166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 550, 551, 552,
 igr2= 554, 555,
 &end
#
#   56 ASP  HA           59 GLN  HB+         4.00    (#   4173:20  Unique         1.96, 3.01 A)
 &rst
  ixpk= 4173, nxpk= 20, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 966, 967,
 &end
#
#   59 GLN  HA           59 GLN  HB+         4.00    (#   4174:20  Unique         2.26, 2.53 A)
 &rst
  ixpk= 4174, nxpk= 20, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 966, 967,
 &end
#
#   59 GLN  HA           59 GLN  HB-         3.00    (#   4176:20  Unique         2.26, 2.53 A)
 &rst
  ixpk= 4176, nxpk= 20, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 966, 967,
 &end
#
#   65 VAL  MGX          93 PRO  HG+         5.00    (#   4178:20  Unique         1.99, 5.35 A)
 &rst
  ixpk= 4178, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1063,1064,1065,1067,1068,1069,
 igr2=1483,1484,
 &end
#
#  140 VAL  MGX         139 ARG  HB-         6.00    (#   4180:20  Unique         3.39, 6.28 A)
 &rst
  ixpk= 4180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2221,2222,2223,2225,2226,2227,
 igr2=2195,2196,
 &end
#
#    0 AMB  20-2:4181   139 ARG  HB-         6.00    (#   4181:20  Single Ambig)
 &rst
  ixpk= 4181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1794,1795,2235,2236,
 igr2=2195,2196,
 &end
#
#  139 ARG  HD+         139 ARG  HB+         6.00    (#   4182:20  Unique         2.28, 3.28 A)
 &rst
  ixpk= 4182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2201,2202,
 igr2=2195,2196,
 &end
#
#   49 PRO  HD-          49 PRO  HG+         4.00    (#   4188:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 788, 789,
 igr2= 791, 792,
 &end
#
#   49 PRO  HD-          49 PRO  HG-         4.00    (#   4189:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4189, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 788, 789,
 igr2= 791, 792,
 &end
#
#   33 LEU  HB-          33 LEU  HG          5.00    (#   4192:20  Unique         2.29, 2.70 A)
 &rst
  ixpk= 4192, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 529, 530,
 &end
#
#   33 LEU  HB+          33 LEU  HG          4.00    (#   4194:20  Unique         2.29, 2.70 A)
 &rst
  ixpk= 4194, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 529, 530,
 &end
#
#   49 PRO  HD+          49 PRO  HG+         4.00    (#   4197:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 788, 789,
 igr2= 791, 792,
 &end
#
#    0 AMB  20-2:4203     7 MET  HG-         5.00    (#   4203:20  Single Ambig)
 &rst
  ixpk= 4203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 172, 173, 174, 176, 177, 178, 557, 558, 559,
 igr2= 124, 125,
 &end
#
#   49 PRO  HA           49 PRO  HG-         5.00    (#   4206:20  Unique         3.88, 3.93 A)
 &rst
  ixpk= 4206, nxpk= 20, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 791, 792,
 &end
#
#   33 LEU  HB+          33 LEU  HG          4.00    (#   4211:20  Unique         2.29, 2.70 A)
 &rst
  ixpk= 4211, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 529, 530,
 &end
#
#   33 LEU  HB-          33 LEU  HG          4.00    (#   4212:20  Unique         2.29, 2.70 A)
 &rst
  ixpk= 4212, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 529, 530,
 &end
#
#    0 AMB  20-2:4213    33 LEU  HG          3.00    (#   4213:20  Single Ambig)
 &rst
  ixpk= 4213, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 534, 535, 536, 538, 539, 540,1047,1048,1049,1051,
      1052,1053,
 &end
#
#   33 LEU  MDX          33 LEU  HG          3.00    (#   4214:20  Unique         2.21, 2.64 A)
 &rst
  ixpk= 4214, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#    0 AMB  20-2:4215    33 LEU  HG          5.00    (#   4215:20  Single Ambig)
 &rst
  ixpk= 4215, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1017,1018,1019,1021,1022,1023,2221,2222,2223,2225,
      2226,2227,
 &end
#
#    4 ARG  HB-           4 ARG  HG-         3.00    (#   4217:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 4217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  66,  67,
 igr2=  69,  70,
 &end
#
#    4 ARG  HB+           4 ARG  HG-         3.00    (#   4218:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 4218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  66,  67,
 igr2=  69,  70,
 &end
#
#    3 LEU  MDY           4 ARG  HG+         5.00    (#   4219:20  Unique         4.34, 6.44 A)
 &rst
  ixpk= 4219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  52,  53,  54,  56,  57,  58,
 igr2=  69,  70,
 &end
#
#    0 AMB  20-2:4223     0 AMB  20-1:4223   6.00    (#   4223:20  Double Ambig)
 &rst
  ixpk= 4223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 172, 173, 174, 176, 177, 178, 557, 558, 559,
 igr2= 124, 125, 124, 125,
 &end
#
#   88 HIS  HB+          49 PRO  HG+         6.00    (#   4224:20  Unique         5.64, 7.73 A)
 &rst
  ixpk= 4224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1404,1405,
 igr2= 791, 792,
 &end
#
#   92 GLN  HB+          93 PRO  HG+         6.00    (#   4225:20  Unique         3.89, 5.06 A)
 &rst
  ixpk= 4225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1466,1467,
 igr2=1483,1484,
 &end
#
#    4 ARG  HA            4 ARG  HG-         5.00    (#   4226:20  Unique         2.71, 3.52 A)
 &rst
  ixpk= 4226, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  69,  70,
 &end
#
#    0 AMB  20-2:4227     4 ARG  HG-         4.00    (#   4227:20  Single Ambig)
 &rst
  ixpk= 4227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  72,  73,  72,  73,
 igr2=  69,  70,
 &end
#
#   84 THR  MG2          81 ILE  HG1+        5.00    (#   4229:20  Unique         3.43, 5.54 A)
 &rst
  ixpk= 4229, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1357,1358,1359,
 igr2=1305,1306,
 &end
#
#   81 ILE  HA           81 ILE  HG1+        6.00    (#   4230:20  Unique         2.14, 2.75 A)
 &rst
  ixpk= 4230, nxpk= 20, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1305,1306,
 &end
#
#    7 MET  HA            7 MET  HG-         6.00    (#   4231:20  Unique         2.13, 3.13 A)
 &rst
  ixpk= 4231, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 124, 125,
 &end
#
#    0 AMB  20-2:4233     0 AMB  20-1:4233   5.00    (#   4233:20  Double Ambig)
 &rst
  ixpk= 4233, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1= 648, 649, 650, 447, 448, 449, 424, 425, 426, 428,
       429, 430,
 igr2=1305,1306, 124, 125,
 &end
#
#    0 AMB  20-2:4234     7 MET  HG-         5.00    (#   4234:20  Single Ambig)
 &rst
  ixpk= 4234, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 172, 173, 174, 176, 177, 178, 557, 558, 559,
 igr2= 124, 125,
 &end
#
#   81 ILE  QD1          81 ILE  HG1-        6.00    (#   4236:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 4236, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1308,1309,1310,
 igr2=1305,1306,
 &end
#
#    4 ARG  HA            4 ARG  HG+         4.00    (#   4242:20  Unique         2.71, 3.52 A)
 &rst
  ixpk= 4242, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  69,  70,
 &end
#
#    4 ARG  HD-           4 ARG  HG+         3.00    (#   4243:20  Unique         2.27, 2.75 A)
 &rst
  ixpk= 4243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  72,  73,
 igr2=  69,  70,
 &end
#
#    4 ARG  HB-           4 ARG  HG+         4.00    (#   4244:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 4244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  66,  67,
 igr2=  69,  70,
 &end
#
#    4 ARG  HB+           4 ARG  HG+         3.00    (#   4245:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 4245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  66,  67,
 igr2=  69,  70,
 &end
#
#   81 ILE  QD1          81 ILE  HG1+        5.00    (#   4247:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 4247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1308,1309,1310,
 igr2=1305,1306,
 &end
#
#   81 ILE  QG2          81 ILE  HG1+        6.00    (#   4256:20  Unique         2.02, 3.38 A)
 &rst
  ixpk= 4256, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1301,1302,1303,
 igr2=1305,1306,
 &end
#
#   80 LYS  HB-          81 ILE  HG1+        6.00    (#   4257:20  Unique         3.31, 5.03 A)
 &rst
  ixpk= 4257, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1277,1278,
 igr2=1305,1306,
 &end
#
#    0 AMB  20-2:4266   100 HIS  HB-         5.00    (#   4266:20  Single Ambig)
 &rst
  ixpk= 4266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1631,1687,
 igr2=1587,1588,
 &end
#
#  144 LEU  MDY          31 PRO  HG-         5.00    (#   4274:20  Unique         1.95, 3.96 A)
 &rst
  ixpk= 4274, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2= 501, 502,
 &end
#
#   31 PRO  HD+          31 PRO  HG-         3.00    (#   4275:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 498, 499,
 igr2= 501, 502,
 &end
#
#  144 LEU  HA           31 PRO  HG-         3.00    (#   4276:20  Unique         2.96, 3.69 A)
 &rst
  ixpk= 4276, nxpk= 20, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 501, 502,
 &end
#
#   31 PRO  HB-          31 PRO  HG-         3.00    (#   4277:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 504, 505,
 igr2= 501, 502,
 &end
#
#  100 HIS  HA          100 HIS  HB-         4.00    (#   4284:20  Unique         2.23, 2.72 A)
 &rst
  ixpk= 4284, nxpk= 20, iat=1585,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1587,1588,
 &end
#
#    0 AMB  20-2:4285   100 HIS  HB-         5.00    (#   4285:20  Single Ambig)
 &rst
  ixpk= 4285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=1635,1636,1637,1614,1615,
 igr2=1587,1588,
 &end
#
#  100 HIS  HA          100 HIS  HB+         4.00    (#   4286:20  Unique         2.23, 2.72 A)
 &rst
  ixpk= 4286, nxpk= 20, iat=1585,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1587,1588,
 &end
#
#    0 AMB  20-2:4287     0 AMB  20-1:4287   5.00    (#   4287:20  Double Ambig)
 &rst
  ixpk= 4287, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1631,1687,
 igr2=1587,1588,1587,1588,
 &end
#
#    0 AMB  20-2:4288     0 AMB  20-1:4288   5.00    (#   4288:20  Double Ambig)
 &rst
  ixpk= 4288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
 igr1=1635,1636,1637,1614,1615,
 igr2=1587,1588,1587,1588,
 &end
#
#   48 MET  HA           48 MET  HB+         4.00    (#   4289:20  Unique         2.81, 2.90 A)
 &rst
  ixpk= 4289, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 774, 775,
 &end
#
#   48 MET  HG-          48 MET  HB+         3.00    (#   4290:20  Unique         2.31, 2.63 A)
 &rst
  ixpk= 4290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 777, 778,
 igr2= 774, 775,
 &end
#
#   78 PRO  HD+          78 PRO  HG+         4.00    (#   4291:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4291, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1253,1254,
 igr2=1256,1257,
 &end
#
#   78 PRO  HD-          78 PRO  HG+         3.00    (#   4292:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1253,1254,
 igr2=1256,1257,
 &end
#
#   78 PRO  HB+          78 PRO  HG+         3.00    (#   4294:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4294, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1259,1260,
 igr2=1256,1257,
 &end
#
#   62 LEU  HB+          31 PRO  HG-         5.00    (#   4300:20  Unique         1.94, 3.42 A)
 &rst
  ixpk= 4300, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1012,1013,
 igr2= 501, 502,
 &end
#
#    0 AMB  20-2:4301    31 PRO  HG-         3.00    (#   4301:20  Single Ambig)
 &rst
  ixpk= 4301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 igr2= 501, 502,
 &end
#
#  144 LEU  MDX          31 PRO  HG-         3.00    (#   4302:20  Unique         1.95, 3.96 A)
 &rst
  ixpk= 4302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2= 501, 502,
 &end
#
#   78 PRO  HD+          78 PRO  HG-         3.00    (#   4303:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1253,1254,
 igr2=1256,1257,
 &end
#
#    3 LEU  HG          123 LEU  HG          6.00    (#   4307:20  Unique         4.42, 5.22 A)
 &rst
  ixpk= 4307, nxpk= 20, iat=  50,1947, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 PRO  HD+          48 MET  HB+         4.00    (#   4316:20  Unique         1.83, 2.69 A)
 &rst
  ixpk= 4316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 788, 789,
 igr2= 774, 775,
 &end
#
#   78 PRO  HA           78 PRO  HG+         4.00    (#   4318:20  Unique         3.88, 3.93 A)
 &rst
  ixpk= 4318, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1256,1257,
 &end
#
#  104 ASP  HA          107 GLU  HB-         6.00    (#   4321:20  Unique         4.49, 5.74 A)
 &rst
  ixpk= 4321, nxpk= 20, iat=1645,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1689,1690,
 &end
#
#  144 LEU  MDY          31 PRO  HG-         5.00    (#   4326:20  Unique         1.95, 3.96 A)
 &rst
  ixpk= 4326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2= 501, 502,
 &end
#
#    9 GLU  HB+           8 PRO  HG+         4.00    (#   4329:20  Unique         3.84, 5.81 A)
 &rst
  ixpk= 4329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 152, 153,
 igr2= 138, 139,
 &end
#
#   49 PRO  HD-          48 MET  HB+         4.00    (#   4343:20  Unique         1.83, 2.69 A)
 &rst
  ixpk= 4343, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 788, 789,
 igr2= 774, 775,
 &end
#
#   88 HIS  HB+          48 MET  HB-         6.00    (#   4347:20  Unique         2.38, 4.45 A)
 &rst
  ixpk= 4347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1404,1405,
 igr2= 774, 775,
 &end
#
#    0 AMB  20-2:4358    71 ARG  HG-         5.00    (#   4358:20  Single Ambig)
 &rst
  ixpk= 4358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 658, 659,1175,1176,
 igr2=1154,1155,
 &end
#
#    3 LEU  HG          123 LEU  HG          6.00    (#   4361:20  Unique         4.42, 5.22 A)
 &rst
  ixpk= 4361, nxpk= 20, iat=  50,1947, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:4363   123 LEU  HG          6.00    (#   4363:20  Single Ambig)
 &rst
  ixpk= 4363, nxpk= 20, iat=  -1,1947, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=  15,  16,  17,1966,1967,
 &end
#
#   10 LEU  MDX           8 PRO  HG+         3.00    (#   4365:20  Unique         2.86, 5.78 A)
 &rst
  ixpk= 4365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 172, 173, 174, 176, 177, 178,
 igr2= 138, 139,
 &end
#
#    3 LEU  HA            3 LEU  HG          5.00    (#   4386:20  Unique         3.02, 3.38 A)
 &rst
  ixpk= 4386, nxpk= 20, iat=  45,  50, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    2 LYS  HB-           3 LEU  HG          5.00    (#   4387:20  Unique         3.31, 4.28 A)
 &rst
  ixpk= 4387, nxpk= 20, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  25,  26,
 &end
#
#    3 LEU  HB-           3 LEU  HG          3.00    (#   4388:20  Unique         2.35, 2.73 A)
 &rst
  ixpk= 4388, nxpk= 20, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  47,  48,
 &end
#
#    3 LEU  MDX           3 LEU  HG          3.00    (#   4389:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4389, nxpk= 20, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    3 LEU  MDY           3 LEU  HG          3.00    (#   4390:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4390, nxpk= 20, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    7 MET  HG+          10 LEU  HG          6.00    (#   4392:20  Unique         2.36, 4.69 A)
 &rst
  ixpk= 4392, nxpk= 20, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 124, 125,
 &end
#
#   10 LEU  HB+          10 LEU  HG          3.00    (#   4393:20  Unique         2.29, 2.65 A)
 &rst
  ixpk= 4393, nxpk= 20, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 167, 168,
 &end
#
#   23 ARG  HB+          23 ARG  HG+         3.00    (#   4399:20  Unique         2.27, 2.76 A)
 &rst
  ixpk= 4399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 363, 364,
 igr2= 366, 367,
 &end
#
#    7 MET  HA            8 PRO  HG-         6.00    (#   4400:20  Unique         4.26, 4.38 A)
 &rst
  ixpk= 4400, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 138, 139,
 &end
#
#    8 PRO  HD-           8 PRO  HG-         5.00    (#   4403:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 135, 136,
 igr2= 138, 139,
 &end
#
#    3 LEU  MDX         123 LEU  HG          5.00    (#   4405:20  Unique         2.39, 5.17 A)
 &rst
  ixpk= 4405, nxpk= 20, iat=  -1,1947, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  20-2:4406   123 LEU  HG          3.00    (#   4406:20  Single Ambig)
 &rst
  ixpk= 4406, nxpk= 20, iat=  -1,1947, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1949,1950,1951,1953,1954,1955,  52,  53,  54,  56,
        57,  58,
 &end
#
#  123 LEU  MDY         123 LEU  HG          4.00    (#   4407:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 4407, nxpk= 20, iat=  -1,1947, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#  123 LEU  HA          123 LEU  HG          6.00    (#   4408:20  Unique         2.64, 3.22 A)
 &rst
  ixpk= 4408, nxpk= 20, iat=1942,1947, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:4421     0 AMB  20-1:4421   4.00    (#   4421:20  Double Ambig)
 &rst
  ixpk= 4421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1506,1507,1508, 283, 284, 285, 287, 288, 289,
 igr2=1503,1504,1503,1504,
 &end
#
#   90 ILE  QG2          94 ILE  HG1+        6.00    (#   4422:20  Unique         1.87, 4.40 A)
 &rst
  ixpk= 4422, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1435,1436,1437,
 igr2=1503,1504,
 &end
#
#    4 ARG  HD-           4 ARG  HB+         5.00    (#   4424:20  Unique         2.08, 3.02 A)
 &rst
  ixpk= 4424, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  72,  73,
 igr2=  66,  67,
 &end
#
#    4 ARG  HA            4 ARG  HB+         3.00    (#   4425:20  Unique         2.28, 2.60 A)
 &rst
  ixpk= 4425, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  66,  67,
 &end
#
#    0 AMB  20-2:4427     0 AMB  20-1:4427   6.00    (#   4427:20  Double Ambig)
 &rst
  ixpk= 4427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=  88,  23,
 igr2=  66,  67,  66,  67,
 &end
#
#    0 AMB  20-2:4431     0 AMB  20-1:4431   3.00    (#   4431:20  Double Ambig)
 &rst
  ixpk= 4431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=2249,2250,2249,2250, 387, 388,
 igr2=2252,2253,2252,2253, 366, 367,
 &end
#
#    0 AMB  20-2:4433     0 AMB  20-1:4433   5.00    (#   4433:20  Double Ambig)
 &rst
  ixpk= 4433, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1614,1615, 351, 352, 353,
 igr2= 170, 366, 367,
 &end
#
#    0 AMB  20-2:4434     0 AMB  20-1:4434   4.00    (#   4434:20  Double Ambig)
 &rst
  ixpk= 4434, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 361,2271,
 igr2= 366, 367, 170,1966,1967,
 &end
#
#  144 LEU  HA          144 LEU  HG          4.00    (#   4436:20  Unique         2.85, 2.96 A)
 &rst
  ixpk= 4436, nxpk= 20, iat=2287,2292, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  141 ASN  HA          144 LEU  HG          3.00    (#   4438:20  Unique         3.00, 3.05 A)
 &rst
  ixpk= 4438, nxpk= 20, iat=2233,2292, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   17 LEU  MDX          17 LEU  HG          3.00    (#   4439:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4439, nxpk= 20, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#    0 AMB  20-2:4443     0 AMB  20-1:4443   4.00    (#   4443:20  Double Ambig)
 &rst
  ixpk= 4443, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 436,1612,
 igr2= 444, 445, 138, 139,
 &end
#
#    8 PRO  HD+           8 PRO  HG-         5.00    (#   4444:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4444, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 135, 136,
 igr2= 138, 139,
 &end
#
#    8 PRO  HB-           8 PRO  HG-         4.00    (#   4445:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 141, 142,
 igr2= 138, 139,
 &end
#
#   46 GLU  HB-          43 LEU  HG          6.00    (#   4447:20  Unique         4.39, 6.13 A)
 &rst
  ixpk= 4447, nxpk= 20, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 749, 750,
 &end
#
#   43 LEU  HA           43 LEU  HG          4.00    (#   4448:20  Unique         2.38, 3.06 A)
 &rst
  ixpk= 4448, nxpk= 20, iat= 695, 700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   43 LEU  HB-          43 LEU  HG          3.00    (#   4449:20  Unique         2.25, 2.73 A)
 &rst
  ixpk= 4449, nxpk= 20, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 697, 698,
 &end
#
#   43 LEU  MDX          43 LEU  HG          3.00    (#   4450:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4450, nxpk= 20, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#    8 PRO  HD-           8 PRO  HG+         5.00    (#   4454:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 135, 136,
 igr2= 138, 139,
 &end
#
#    8 PRO  HB-           8 PRO  HG+         4.00    (#   4455:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 141, 142,
 igr2= 138, 139,
 &end
#
#    0 AMB  20-2:4456     0 AMB  20-1:4456   3.00    (#   4456:20  Double Ambig)
 &rst
  ixpk= 4456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=  15,  16,  17,1659,1660,1661, 141, 142,
 igr2= 138, 139, 138, 139, 138, 139,
 &end
#
#   26 LEU  MDY          27 ILE  HG1+        4.00    (#   4458:20  Unique         4.46, 6.56 A)
 &rst
  ixpk= 4458, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 424, 425, 426, 428, 429, 430,
 igr2= 444, 445,
 &end
#
#  143 VAL  HB           62 LEU  MDY         6.00    (#   4461:20  Unique         4.84, 6.98 A)
 &rst
  ixpk= 4461, nxpk= 20, iat=2273,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   66 ALA  MB           94 ILE  HG1+        5.00    (#   4471:20  Unique         1.90, 4.41 A)
 &rst
  ixpk= 4471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1077,1078,1079,
 igr2=1503,1504,
 &end
#
#    0 AMB  20-2:4472     4 ARG  HB-         5.00    (#   4472:20  Single Ambig)
 &rst
  ixpk= 4472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=  72,  73,  72,  73,
 igr2=  66,  67,
 &end
#
#    4 ARG  HG-           4 ARG  HB-         3.00    (#   4473:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 4473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  69,  70,
 igr2=  66,  67,
 &end
#
#    0 AMB  20-2:4477     0 AMB  20-1:4477   5.00    (#   4477:20  Double Ambig)
 &rst
  ixpk= 4477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=  72,  73,  72,  73,
 igr2=  66,  67,  66,  67,
 &end
#
#    0 AMB  20-2:4482     0 AMB  20-1:4482   3.00    (#   4482:20  Double Ambig)
 &rst
  ixpk= 4482, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2255,2256,2255,2256,
 igr2=2252,2253,2252,2253,
 &end
#
#  142 ARG  HA            0 AMB  20-1:4483   3.00    (#   4483:20  Single Ambig)
 &rst
  ixpk= 4483, nxpk= 20, iat=2247,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=2252,2253,2252,2253,
 &end
#
#    0 AMB  20-2:4484     0 AMB  20-1:4484   3.00    (#   4484:20  Double Ambig)
 &rst
  ixpk= 4484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,1230,1231,1232,1234,1235,1236,
 igr2=1966,1967,1228,
 &end
#
#  144 LEU  MDY         144 LEU  HG          3.00    (#   4485:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 4485, nxpk= 20, iat=  -1,2292, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#  148 GLU  HB-         144 LEU  HG          6.00    (#   4486:20  Unique         5.93, 6.73 A)
 &rst
  ixpk= 4486, nxpk= 20, iat=  -1,2292, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2347,2348,
 &end
#
#    0 AMB  20-2:4487     8 PRO  HG-         3.00    (#   4487:20  Single Ambig)
 &rst
  ixpk= 4487, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  15,  16,  17,1659,1660,1661, 141, 142,
 igr2= 138, 139,
 &end
#
#   24 GLU  HA           27 ILE  HG1-        4.00    (#   4488:20  Unique         2.74, 3.66 A)
 &rst
  ixpk= 4488, nxpk= 20, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 444, 445,
 &end
#
#    0 AMB  20-2:4490     0 AMB  20-1:4490   3.00    (#   4490:20  Double Ambig)
 &rst
  ixpk= 4490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 447, 448, 449,1619,1620,1621,1623,1624,1625,
 igr2= 366, 367, 138, 139, 444, 445,
 &end
#
#    0 AMB  20-2:4491    43 LEU  HG          6.00    (#   4491:20  Single Ambig)
 &rst
  ixpk= 4491, nxpk= 20, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2074,2075,2056,2057,
 &end
#
#   43 LEU  MDY          43 LEU  HG          3.00    (#   4493:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4493, nxpk= 20, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#    8 PRO  HD+           8 PRO  HG+         5.00    (#   4495:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 135, 136,
 igr2= 138, 139,
 &end
#
#   27 ILE  HA           27 ILE  HG1+        5.00    (#   4497:20  Unique         2.46, 3.50 A)
 &rst
  ixpk= 4497, nxpk= 20, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 444, 445,
 &end
#
#   24 GLU  HA           27 ILE  HG1+        5.00    (#   4498:20  Unique         2.74, 3.66 A)
 &rst
  ixpk= 4498, nxpk= 20, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 444, 445,
 &end
#
#    0 AMB  20-2:4499     0 AMB  20-1:4499   4.00    (#   4499:20  Double Ambig)
 &rst
  ixpk= 4499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 438, 366, 367,
 igr2= 444, 445, 444, 445,
 &end
#
#    0 AMB  20-2:4506     0 AMB  20-1:4506   4.00    (#   4506:20  Double Ambig)
 &rst
  ixpk= 4506, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1077,1078,1079, 517, 518, 519,
 igr2=1503,1504, 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:4508     0 AMB  20-1:4508   5.00    (#   4508:20  Double Ambig)
 &rst
  ixpk= 4508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
 igr1=1439,1440, 444, 445,
 igr2=1503,1504, 424, 425, 426, 428, 429, 430,
 &end
#
#   58 TYR  HB-          62 LEU  MDY         4.00    (#   4509:20  Unique         1.97, 5.69 A)
 &rst
  ixpk= 4509, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 945, 946,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#    0 AMB  20-2:4510    62 LEU  MDY         5.00    (#   4510:20  Single Ambig)
 &rst
  ixpk= 4510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 945, 946, 504, 505,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   33 LEU  HB+          62 LEU  MDY         4.00    (#   4511:20  Unique         1.97, 3.84 A)
 &rst
  ixpk= 4511, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 529, 530,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#    0 AMB  20-2:4512    62 LEU  MDY         3.00    (#   4512:20  Single Ambig)
 &rst
  ixpk= 4512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1012,1013, 501, 502, 504, 505,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   33 LEU  HB-          62 LEU  MDY         4.00    (#   4513:20  Unique         1.97, 3.84 A)
 &rst
  ixpk= 4513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 529, 530,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#    0 AMB  20-2:4514    62 LEU  MDY         4.00    (#   4514:20  Single Ambig)
 &rst
  ixpk= 4514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1012,1013, 534, 535, 536, 538, 539, 540,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   64 VAL  MGX          62 LEU  MDY         4.00    (#   4515:20  Unique         1.96, 5.30 A)
 &rst
  ixpk= 4515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1047,1048,1049,1051,1052,1053,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#    0 AMB  20-2:4522     0 AMB  20-1:4522   4.00    (#   4522:20  Double Ambig)
 &rst
  ixpk= 4522, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1506,1507,1508, 283, 284, 285, 287, 288, 289,
 igr2=1503,1504,1503,1504,
 &end
#
#    0 AMB  20-2:4530     0 AMB  20-1:4530   5.00    (#   4530:20  Double Ambig)
 &rst
  ixpk= 4530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2063,1612,
 igr2= 700,1617,
 &end
#
#    0 AMB  20-2:4534     0 AMB  20-1:4534   6.00    (#   4534:20  Double Ambig)
 &rst
  ixpk= 4534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 419, 420, 363, 364,
 igr2= 444, 445, 444, 445,
 &end
#
#   26 LEU  HA           26 LEU  MDY         5.00    (#   4536:20  Unique         1.93, 3.67 A)
 &rst
  ixpk= 4536, nxpk= 20, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   23 ARG  HA           26 LEU  MDY         4.00    (#   4537:20  Unique         1.97, 4.51 A)
 &rst
  ixpk= 4537, nxpk= 20, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:4538     0 AMB  20-1:4538   3.00    (#   4538:20  Double Ambig)
 &rst
  ixpk= 4538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 419, 420, 422, 278, 279,
 igr2= 424, 425, 426, 428, 429, 430,1503,1504,
 &end
#
#    0 AMB  20-2:4540     0 AMB  20-1:4540   3.00    (#   4540:20  Double Ambig)
 &rst
  ixpk= 4540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 172, 173, 174, 176, 177, 178, 557, 558, 559,1499,
      1500,1501,
 igr2= 424, 425, 426, 428, 429, 430,1503,1504,
 &end
#
#  143 VAL  HB           62 LEU  MDY         6.00    (#   4542:20  Unique         4.84, 6.98 A)
 &rst
  ixpk= 4542, nxpk= 20, iat=2273,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   62 LEU  HG           62 LEU  MDY         4.00    (#   4543:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4543, nxpk= 20, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#  140 VAL  MGY          62 LEU  MDY         3.00    (#   4544:20  Unique         1.93, 4.16 A)
 &rst
  ixpk= 4544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=2221,2222,2223,2225,2226,2227,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   66 ALA  MB           94 ILE  HG1+        6.00    (#   4548:20  Unique         1.90, 4.41 A)
 &rst
  ixpk= 4548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1077,1078,1079,
 igr2=1503,1504,
 &end
#
#  102 LEU  MDY         102 LEU  HG          4.00    (#   4552:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4552, nxpk= 20, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#  136 LEU  HB-         136 LEU  HG          4.00    (#   4555:20  Unique         2.37, 2.64 A)
 &rst
  ixpk= 4555, nxpk= 20, iat=  -1,2142, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2139,2140,
 &end
#
#   62 LEU  HB+          62 LEU  HG          4.00    (#   4560:20  Unique         2.33, 2.72 A)
 &rst
  ixpk= 4560, nxpk= 20, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1012,1013,
 &end
#
#  136 LEU  HB-         136 LEU  HG          4.00    (#   4561:20  Unique         2.37, 2.64 A)
 &rst
  ixpk= 4561, nxpk= 20, iat=  -1,2142, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2139,2140,
 &end
#
#  136 LEU  MDX         136 LEU  HG          4.00    (#   4562:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4562, nxpk= 20, iat=  -1,2142, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  136 LEU  HA          136 LEU  HG          6.00    (#   4563:20  Unique         2.57, 3.48 A)
 &rst
  ixpk= 4563, nxpk= 20, iat=2137,2142, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 ILE  QG2          90 ILE  HG1-        6.00    (#   4569:20  Unique         2.39, 3.47 A)
 &rst
  ixpk= 4569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1435,1436,1437,
 igr2=1439,1440,
 &end
#
#   90 ILE  QD1          90 ILE  HG1-        5.00    (#   4570:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 4570, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1442,1443,1444,
 igr2=1439,1440,
 &end
#
#  136 LEU  MDY         136 LEU  HG          4.00    (#   4571:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4571, nxpk= 20, iat=  -1,2142, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#   23 ARG  HA           10 LEU  MDX         5.00    (#   4573:20  Unique         2.02, 5.23 A)
 &rst
  ixpk= 4573, nxpk= 20, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   10 LEU  HB+          10 LEU  MDX         4.00    (#   4574:20  Unique         2.23, 3.37 A)
 &rst
  ixpk= 4574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 167, 168,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#    0 AMB  20-2:4575    10 LEU  MDX         3.00    (#   4575:20  Single Ambig)
 &rst
  ixpk= 4575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 121, 122, 170,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#    0 AMB  20-2:4576    10 LEU  MDX         4.00    (#   4576:20  Single Ambig)
 &rst
  ixpk= 4576, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1614,1615, 554, 555, 138, 139,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   22 THR  HB           10 LEU  MDX         6.00    (#   4577:20  Unique         4.92, 7.80 A)
 &rst
  ixpk= 4577, nxpk= 20, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   90 ILE  QD1          90 ILE  HG1+        5.00    (#   4578:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 4578, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1442,1443,1444,
 igr2=1439,1440,
 &end
#
#   92 GLN  HG+          92 GLN  HB-         5.00    (#   4583:20  Unique         2.27, 2.75 A)
 &rst
  ixpk= 4583, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1469,1470,
 igr2=1466,1467,
 &end
#
#   10 LEU  HA           10 LEU  MDX         5.00    (#   4587:20  Unique         1.98, 3.83 A)
 &rst
  ixpk= 4587, nxpk= 20, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   23 ARG  HB+          10 LEU  MDX         3.00    (#   4589:20  Unique         1.98, 5.05 A)
 &rst
  ixpk= 4589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 363, 364,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#  102 LEU  MDY          10 LEU  MDX         5.00    (#   4591:20  Unique         1.96, 5.71 A)
 &rst
  ixpk= 4591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=1619,1620,1621,1623,1624,1625,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   92 GLN  HA           92 GLN  HB+         5.00    (#   4592:20  Unique         2.30, 2.48 A)
 &rst
  ixpk= 4592, nxpk= 20, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1466,1467,
 &end
#
#    0 AMB  20-2:4593     0 AMB  20-1:4593   5.00    (#   4593:20  Double Ambig)
 &rst
  ixpk= 4593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=1480,1481,1480,1481,
 igr2=1466,1467,1466,1467,
 &end
#
#   92 GLN  HA           92 GLN  HB-         5.00    (#   4596:20  Unique         2.30, 2.48 A)
 &rst
  ixpk= 4596, nxpk= 20, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1466,1467,
 &end
#
#   64 VAL  MGY          92 GLN  HB-         6.00    (#   4598:20  Unique         2.71, 4.73 A)
 &rst
  ixpk= 4598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1047,1048,1049,1051,1052,1053,
 igr2=1466,1467,
 &end
#
#    0 AMB  20-2:4604    33 LEU  MDX         6.00    (#   4604:20  Single Ambig)
 &rst
  ixpk= 4604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 867, 868, 820,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   35 HIS  HB+          33 LEU  MDX         6.00    (#   4605:20  Unique         1.96, 5.32 A)
 &rst
  ixpk= 4605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 567, 568,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  136 LEU  MDX          33 LEU  MDX         4.00    (#   4606:20  Unique         1.96, 4.16 A)
 &rst
  ixpk= 4606, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   10 LEU  HB-          10 LEU  MDX         3.00    (#   4607:20  Unique         2.23, 3.37 A)
 &rst
  ixpk= 4607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 167, 168,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#    2 LYS  HA          123 LEU  MDX         6.00    (#   4609:20  Unique         2.80, 5.82 A)
 &rst
  ixpk= 4609, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    1 MET  HA          123 LEU  MDX         6.00    (#   4610:20  Unique         4.50, 6.89 A)
 &rst
  ixpk= 4610, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    3 LEU  HA          123 LEU  MDX         4.00    (#   4611:20  Unique         1.93, 4.06 A)
 &rst
  ixpk= 4611, nxpk= 20, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  115 TYR  HB-         123 LEU  MDX         6.00    (#   4612:20  Unique         1.99, 5.02 A)
 &rst
  ixpk= 4612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1815,1816,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  126 PHE  HB-         123 LEU  MDX         5.00    (#   4613:20  Unique         2.75, 4.59 A)
 &rst
  ixpk= 4613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2004,2005,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    0 AMB  20-2:4614   123 LEU  MDX         4.00    (#   4614:20  Single Ambig)
 &rst
  ixpk= 4614, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=  93,  94,  11,  12,  11,  12,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    5 GLN  HB+         123 LEU  MDX         6.00    (#   4615:20  Unique         1.91, 5.19 A)
 &rst
  ixpk= 4615, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  90,  91,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    1 MET  HB-         123 LEU  MDX         4.00    (#   4616:20  Unique         2.03, 5.59 A)
 &rst
  ixpk= 4616, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=   8,   9,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  123 LEU  HB+         123 LEU  MDX         4.00    (#   4617:20  Unique         2.01, 3.36 A)
 &rst
  ixpk= 4617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1944,1945,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  123 LEU  HG          123 LEU  MDX         4.00    (#   4618:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 4618, nxpk= 20, iat=1947,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#   62 LEU  HB+         144 LEU  MDY         6.00    (#   4621:20  Unique         1.99, 4.18 A)
 &rst
  ixpk= 4621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1012,1013,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:4622   144 LEU  MDY         5.00    (#   4622:20  Single Ambig)
 &rst
  ixpk= 4622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.20, r4=10.70,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:4634    92 GLN  HB-         5.00    (#   4634:20  Single Ambig)
 &rst
  ixpk= 4634, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1480,1481,1480,1481,
 igr2=1466,1467,
 &end
#
#   18 ASN  HB+          92 GLN  HB-         6.00    (#   4635:20  Unique         5.77, 6.65 A)
 &rst
  ixpk= 4635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 297, 298,
 igr2=1466,1467,
 &end
#
#   92 GLN  HG-          92 GLN  HB-         5.00    (#   4636:20  Unique         2.27, 2.75 A)
 &rst
  ixpk= 4636, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1469,1470,
 igr2=1466,1467,
 &end
#
#   64 VAL  HB           33 LEU  MDX         5.00    (#   4639:20  Unique         4.52, 7.04 A)
 &rst
  ixpk= 4639, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  HB+          33 LEU  MDX         4.00    (#   4640:20  Unique         2.11, 3.34 A)
 &rst
  ixpk= 4640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 529, 530,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  HG           33 LEU  MDX         3.00    (#   4641:20  Unique         2.21, 2.64 A)
 &rst
  ixpk= 4641, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  136 LEU  MDY          33 LEU  MDX         4.00    (#   4644:20  Unique         1.96, 4.16 A)
 &rst
  ixpk= 4644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  141 ASN  HA          144 LEU  MDY         4.00    (#   4645:20  Unique         1.96, 3.86 A)
 &rst
  ixpk= 4645, nxpk= 20, iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#  144 LEU  HA          144 LEU  MDY         5.00    (#   4646:20  Unique         2.00, 3.95 A)
 &rst
  ixpk= 4646, nxpk= 20, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:4647   144 LEU  MDY         4.00    (#   4647:20  Single Ambig)
 &rst
  ixpk= 4647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1012,1013,2289,2290,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#  144 LEU  HG          144 LEU  MDY         3.00    (#   4648:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 4648, nxpk= 20, iat=2292,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#  144 LEU  HB-         144 LEU  MDY         4.00    (#   4649:20  Unique         2.02, 3.28 A)
 &rst
  ixpk= 4649, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2289,2290,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#   26 LEU  HA           26 LEU  HG          5.00    (#   4653:20  Unique         2.50, 2.73 A)
 &rst
  ixpk= 4653, nxpk= 20, iat= 417, 422, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 VAL  MGX          26 LEU  HG          4.00    (#   4654:20  Unique         2.00, 3.96 A)
 &rst
  ixpk= 4654, nxpk= 20, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 335, 336, 337, 339, 340, 341,
 &end
#
#    0 AMB  20-2:4660    33 LEU  MDX         5.00    (#   4660:20  Single Ambig)
 &rst
  ixpk= 4660, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1836, 548,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   35 HIS  HB+          33 LEU  MDX         6.00    (#   4661:20  Unique         1.96, 5.32 A)
 &rst
  ixpk= 4661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 567, 568,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  115 TYR  HB-         123 LEU  MDX         6.00    (#   4662:20  Unique         1.99, 5.02 A)
 &rst
  ixpk= 4662, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1815,1816,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    0 AMB  20-2:4663   144 LEU  MDY         5.00    (#   4663:20  Single Ambig)
 &rst
  ixpk= 4663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 995, 996, 998, 999,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#   82 LYS  HA           17 LEU  MDX         4.00    (#   4671:20  Unique         1.95, 3.03 A)
 &rst
  ixpk= 4671, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#   82 LYS  HB-          17 LEU  MDX         3.00    (#   4672:20  Unique         1.96, 4.66 A)
 &rst
  ixpk= 4672, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1318,1319,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#    0 AMB  20-2:4673    17 LEU  MDX         3.00    (#   4673:20  Single Ambig)
 &rst
  ixpk= 4673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1321,1322, 278, 279, 281,1299,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#   81 ILE  QD1          17 LEU  MDX         5.00    (#   4675:20  Unique         3.56, 7.54 A)
 &rst
  ixpk= 4675, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1308,1309,1310,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#  139 ARG  HA          139 ARG  HG+         4.00    (#   4682:20  Unique         2.28, 3.11 A)
 &rst
  ixpk= 4682, nxpk= 20, iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2198,2199,
 &end
#
#   17 LEU  HB-          17 LEU  MDX         3.00    (#   4687:20  Unique         2.11, 3.44 A)
 &rst
  ixpk= 4687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 278, 279,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#   81 ILE  QG2          17 LEU  MDX         3.00    (#   4688:20  Unique         1.97, 4.63 A)
 &rst
  ixpk= 4688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1301,1302,1303,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#    0 AMB  20-2:4692     0 AMB  20-1:4692   6.00    (#   4692:20  Double Ambig)
 &rst
  ixpk= 4692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=2109,2110,2182,2183,
 igr2=2106,2107,2106,2107,
 &end
#
#    0 AMB  20-2:4693     0 AMB  20-1:4693   5.00    (#   4693:20  Double Ambig)
 &rst
  ixpk= 4693, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
 igr1=1794,1795,2109,2110,
 igr2=2144,2145,2146,2148,2149,2150,2106,2107,
 &end
#
#  114 TYR  HB+         136 LEU  MDY         6.00    (#   4694:20  Unique         1.97, 3.70 A)
 &rst
  ixpk= 4694, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1794,1795,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  20-2:4695     0 AMB  20-1:4695   5.00    (#   4695:20  Double Ambig)
 &rst
  ixpk= 4695, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
 igr1=2083,2084, 805, 806,
 igr2=2144,2145,2146,2148,2149,2150,2106,2107,
 &end
#
#  140 VAL  HA          139 ARG  HG+         6.00    (#   4709:20  Unique         3.68, 5.83 A)
 &rst
  ixpk= 4709, nxpk= 20, iat=2217,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2198,2199,
 &end
#
#  114 TYR  HB+         139 ARG  HG+         6.00    (#   4710:20  Unique         6.27, 7.70 A)
 &rst
  ixpk= 4710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1794,1795,
 igr2=2198,2199,
 &end
#
#   73 GLU  HG+          76 LEU  MDY         4.00    (#   4711:20  Unique         2.15, 5.81 A)
 &rst
  ixpk= 4711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1189,1190,
 igr2=1230,1231,1232,1234,1235,1236,
 &end
#
#    0 AMB  20-2:4712    76 LEU  MDY         3.00    (#   4712:20  Single Ambig)
 &rst
  ixpk= 4712, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1140,1141,1186,1187,
 igr2=1230,1231,1232,1234,1235,1236,
 &end
#
#   76 LEU  HG           76 LEU  MDY         3.00    (#   4713:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4713, nxpk= 20, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1230,1231,1232,1234,1235,1236,
 &end
#
#   76 LEU  HB-          76 LEU  MDY         3.00    (#   4714:20  Unique         2.15, 3.33 A)
 &rst
  ixpk= 4714, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1225,1226,
 igr2=1230,1231,1232,1234,1235,1236,
 &end
#
#  131 SER  HB-          43 LEU  MDY         5.00    (#   4715:20  Unique         2.25, 5.93 A)
 &rst
  ixpk= 4715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2065,2066,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#  112 PRO  HD+          43 LEU  MDY         5.00    (#   4716:20  Unique         2.53, 5.47 A)
 &rst
  ixpk= 4716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1767,1768,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:4717     0 AMB  20-1:4717   3.00    (#   4717:20  Double Ambig)
 &rst
  ixpk= 4717, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 697, 698,1140,1141,1770,1771,1770,1771,
 igr2= 702, 703, 704, 706, 707, 708,1230,1231,1232,1234,
      1235,1236,
 &end
#
#  133 MET  HA          136 LEU  MDY         6.00    (#   4723:20  Unique         3.32, 5.87 A)
 &rst
  ixpk= 4723, nxpk= 20, iat=2081,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#  136 LEU  HA          136 LEU  MDY         5.00    (#   4724:20  Unique         2.15, 3.85 A)
 &rst
  ixpk= 4724, nxpk= 20, iat=2137,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  20-2:4725   136 LEU  MDY         6.00    (#   4725:20  Single Ambig)
 &rst
  ixpk= 4725, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=2129,2130,2131,2158,2159,1836,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#  136 LEU  HB-         136 LEU  MDY         4.00    (#   4726:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 4726, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2139,2140,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  20-2:4727   136 LEU  MDY         3.00    (#   4727:20  Single Ambig)
 &rst
  ixpk= 4727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 534, 535, 536, 538, 539, 540,2139,2140,2142,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#  111 VAL  MGX         113 ALA  MB          4.00    (#   4741:20  Unique         3.22, 6.52 A)
 &rst
  ixpk= 4741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2=1784,1785,1786,
 &end
#
#    0 AMB  20-2:4742     0 AMB  20-1:4742   4.00    (#   4742:20  Double Ambig)
 &rst
  ixpk= 4742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1244,1245,2109,2110,2201,2202,
 igr2=1280,1281,2106,2107,2198,2199,
 &end
#
#  140 VAL  MGX         136 LEU  MDY         4.00    (#   4756:20  Unique         1.97, 5.54 A)
 &rst
  ixpk= 4756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2221,2222,2223,2225,2226,2227,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#  138 LYS  HA          138 LYS  HG+         4.00    (#   4767:20  Unique         2.64, 3.70 A)
 &rst
  ixpk= 4767, nxpk= 20, iat=2171,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2176,2177,
 &end
#
#   80 LYS  HA           80 LYS  HG+         3.00    (#   4768:20  Unique         2.19, 2.83 A)
 &rst
  ixpk= 4768, nxpk= 20, iat=1275,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1280,1281,
 &end
#
#    0 AMB  20-2:4769     0 AMB  20-1:4769   3.00    (#   4769:20  Double Ambig)
 &rst
  ixpk= 4769, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1277,1278,2173,2174, 727, 728,
 igr2=1280,1281,2176,2177, 730, 731,
 &end
#
#  138 LYS  HA          138 LYS  HG-         4.00    (#   4775:20  Unique         2.64, 3.70 A)
 &rst
  ixpk= 4775, nxpk= 20, iat=2171,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2176,2177,
 &end
#
#    0 AMB  20-2:4777     0 AMB  20-1:4777   3.00    (#   4777:20  Double Ambig)
 &rst
  ixpk= 4777, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1225,1226,  47,  48,  50,
 igr2=1230,1231,1232,1234,1235,1236,  52,  53,  54,  56,
        57,  58,
 &end
#
#  111 VAL  HA          113 ALA  MB          5.00    (#   4801:20  Unique         2.66, 3.86 A)
 &rst
  ixpk= 4801, nxpk= 20, iat=1752,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1784,1785,1786,
 &end
#
#    0 AMB  20-2:4802   113 ALA  MB          4.00    (#   4802:20  Single Ambig)
 &rst
  ixpk= 4802, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1733,1734, 584, 585,
 igr2=1784,1785,1786,
 &end
#
#    0 AMB  20-2:4803   113 ALA  MB          4.00    (#   4803:20  Single Ambig)
 &rst
  ixpk= 4803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1733,1734, 584, 585,
 igr2=1784,1785,1786,
 &end
#
#   82 LYS  HA           82 LYS  HG+         4.00    (#   4807:20  Unique         2.04, 3.02 A)
 &rst
  ixpk= 4807, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1321,1322,
 &end
#
#   82 LYS  HB+          82 LYS  HG+         3.00    (#   4808:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 4808, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1318,1319,
 igr2=1321,1322,
 &end
#
#    0 AMB  20-2:4809     0 AMB  20-1:4809   3.00    (#   4809:20  Double Ambig)
 &rst
  ixpk= 4809, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1286,1287, 736, 737,
 igr2=1280,1281, 730, 731,
 &end
#
#    0 AMB  20-2:4810     0 AMB  20-1:4810   3.00    (#   4810:20  Double Ambig)
 &rst
  ixpk= 4810, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1324,1325,1283,1284,1283,1284, 733, 734,
 igr2=1321,1322,1280,1281,1280,1281, 730, 731,
 &end
#
#   39 ILE  QD1          39 ILE  HG1-        4.00    (#   4813:20  Unique         2.27, 2.67 A)
 &rst
  ixpk= 4813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 648, 649, 650,
 igr2= 645, 646,
 &end
#
#   80 LYS  HA           80 LYS  HG-         3.00    (#   4814:20  Unique         2.19, 2.83 A)
 &rst
  ixpk= 4814, nxpk= 20, iat=1275,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1280,1281,
 &end
#
#  136 LEU  MDX          33 LEU  MDY         4.00    (#   4820:20  Unique         1.96, 4.16 A)
 &rst
  ixpk= 4820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  136 LEU  MDY          33 LEU  MDY         4.00    (#   4821:20  Unique         1.96, 4.16 A)
 &rst
  ixpk= 4821, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#    3 LEU  HA            3 LEU  MDX         4.00    (#   4822:20  Unique         1.98, 3.89 A)
 &rst
  ixpk= 4822, nxpk= 20, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    3 LEU  HB-           3 LEU  MDX         4.00    (#   4823:20  Unique         2.18, 3.32 A)
 &rst
  ixpk= 4823, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=  47,  48,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   17 LEU  MDY          82 LYS  HG-         3.00    (#   4851:20  Unique         1.94, 4.16 A)
 &rst
  ixpk= 4851, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 283, 284, 285, 287, 288, 289,
 igr2=1321,1322,
 &end
#
#    1 MET  HA            2 LYS  HG-         5.00    (#   4855:20  Unique         2.89, 4.49 A)
 &rst
  ixpk= 4855, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  28,  29,
 &end
#
#    0 AMB  20-2:4856    39 ILE  HG1-        4.00    (#   4856:20  Single Ambig)
 &rst
  ixpk= 4856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 736, 737,1286,1287,
 igr2= 645, 646,
 &end
#
#    5 GLN  HB+           2 LYS  HG-         6.00    (#   4857:20  Unique         3.89, 6.20 A)
 &rst
  ixpk= 4857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  90,  91,
 igr2=  28,  29,
 &end
#
#   35 HIS  HB-          33 LEU  MDY         5.00    (#   4862:20  Unique         1.96, 5.32 A)
 &rst
  ixpk= 4862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 567, 568,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   35 HIS  HB+          33 LEU  MDY         5.00    (#   4863:20  Unique         1.96, 5.32 A)
 &rst
  ixpk= 4863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 567, 568,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  114 TYR  HB-          33 LEU  MDY         4.00    (#   4864:20  Unique         2.28, 4.74 A)
 &rst
  ixpk= 4864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1794,1795,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  114 TYR  HB+          33 LEU  MDY         5.00    (#   4865:20  Unique         2.28, 4.74 A)
 &rst
  ixpk= 4865, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1794,1795,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  HB+          33 LEU  MDY         4.00    (#   4866:20  Unique         2.11, 3.34 A)
 &rst
  ixpk= 4866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 529, 530,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#    0 AMB  20-2:4867    33 LEU  MDY         5.00    (#   4867:20  Single Ambig)
 &rst
  ixpk= 4867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1836, 548,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  HG           33 LEU  MDY         3.00    (#   4868:20  Unique         2.21, 2.64 A)
 &rst
  ixpk= 4868, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  HB-          33 LEU  MDY         3.00    (#   4869:20  Unique         2.11, 3.34 A)
 &rst
  ixpk= 4869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 529, 530,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  112 PRO  HB-           0 AMB  20-1:4887   4.00    (#   4887:20  Single Ambig)
 &rst
  ixpk= 4887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1773,1774,
 igr2=1770,1771,1770,1771,
 &end
#
#   78 PRO  HA           14 LYS  HG+         6.00    (#   4892:20  Unique         5.01, 5.76 A)
 &rst
  ixpk= 4892, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 225, 226,
 &end
#
#    0 AMB  20-2:4893     0 AMB  20-1:4893   4.00    (#   4893:20  Double Ambig)
 &rst
  ixpk= 4893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  23, 656,
 igr2=  28,  29, 645, 646,
 &end
#
#    5 GLN  HG+           2 LYS  HG-         5.00    (#   4894:20  Unique         2.05, 4.72 A)
 &rst
  ixpk= 4894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  93,  94,
 igr2=  28,  29,
 &end
#
#    0 AMB  20-2:4895     0 AMB  20-1:4895   4.00    (#   4895:20  Double Ambig)
 &rst
  ixpk= 4895, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=  69,  70,1283,1284,
 igr2=  28,  29, 645, 646,
 &end
#
#   38 SER  HA           39 ILE  HG1-        5.00    (#   4896:20  Unique         4.21, 4.82 A)
 &rst
  ixpk= 4896, nxpk= 20, iat= 626,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 645, 646,
 &end
#
#    0 AMB  20-2:4897     0 AMB  20-1:4897   6.00    (#   4897:20  Double Ambig)
 &rst
  ixpk= 4897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=2350,2351,1103,1104,
 igr2= 482, 483, 645, 646,
 &end
#
#    0 AMB  20-2:4898     0 AMB  20-1:4898   4.00    (#   4898:20  Double Ambig)
 &rst
  ixpk= 4898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 464, 465, 639,
 igr2= 482, 483, 645, 646,
 &end
#
#    0 AMB  20-2:4899     0 AMB  20-1:4899   5.00    (#   4899:20  Double Ambig)
 &rst
  ixpk= 4899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 993, 656,
 igr2= 482, 483, 645, 646,
 &end
#
#   29 GLU  HG-          30 LYS  HG+         5.00    (#   4900:20  Unique         1.98, 4.30 A)
 &rst
  ixpk= 4900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 467, 468,
 igr2= 482, 483,
 &end
#
#   29 GLU  HG+          30 LYS  HG+         5.00    (#   4901:20  Unique         1.98, 4.30 A)
 &rst
  ixpk= 4901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 467, 468,
 igr2= 482, 483,
 &end
#
#    0 AMB  20-2:4905     0 AMB  20-1:4905   3.00    (#   4905:20  Double Ambig)
 &rst
  ixpk= 4905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1767,1768,1767,1768,
 igr2=1770,1771,1770,1771,
 &end
#
#   75 ASP  HB-          39 ILE  HG1+        4.00    (#   4910:20  Unique         1.97, 3.81 A)
 &rst
  ixpk= 4910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1213,1214,
 igr2= 645, 646,
 &end
#
#   57 LYS  HA           57 LYS  HG-         4.00    (#   4914:20  Unique         1.94, 2.62 A)
 &rst
  ixpk= 4914, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 926, 927,
 &end
#
#   57 LYS  HE-          57 LYS  HG-         4.00    (#   4915:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 4915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 932, 933,
 igr2= 926, 927,
 &end
#
#   57 LYS  HB-          57 LYS  HG+         4.00    (#   4920:20  Unique         2.26, 2.74 A)
 &rst
  ixpk= 4920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 923, 924,
 igr2= 926, 927,
 &end
#
#   57 LYS  HA           57 LYS  HG+         4.00    (#   4921:20  Unique         1.94, 2.62 A)
 &rst
  ixpk= 4921, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 926, 927,
 &end
#
#   57 LYS  HE-          57 LYS  HG+         4.00    (#   4922:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 4922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 932, 933,
 igr2= 926, 927,
 &end
#
#    0 AMB  20-2:4923     0 AMB  20-1:4923   3.00    (#   4923:20  Double Ambig)
 &rst
  ixpk= 4923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 923, 924, 929, 930,
 igr2= 926, 927, 926, 927,
 &end
#
#   14 LYS  HA           14 LYS  HG+         4.00    (#   4929:20  Unique         2.36, 3.07 A)
 &rst
  ixpk= 4929, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 225, 226,
 &end
#
#  102 LEU  HG          102 LEU  MDY         6.00    (#   4940:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4940, nxpk= 20, iat=1617,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#   78 PRO  HA           14 LYS  HG+         5.00    (#   4941:20  Unique         5.01, 5.76 A)
 &rst
  ixpk= 4941, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 225, 226,
 &end
#
#   98 SER  HB+          14 LYS  HG+         5.00    (#   4942:20  Unique         3.14, 5.72 A)
 &rst
  ixpk= 4942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1564,1565,
 igr2= 225, 226,
 &end
#
#  102 LEU  HB-         102 LEU  MDY         5.00    (#   4949:20  Unique         1.95, 3.31 A)
 &rst
  ixpk= 4949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1614,1615,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#   10 LEU  MDY         102 LEU  MDY         5.00    (#   4951:20  Unique         1.96, 5.71 A)
 &rst
  ixpk= 4951, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 172, 173, 174, 176, 177, 178,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#    1 MET  ME          123 LEU  MDY         5.00    (#   4961:20  Unique         1.96, 5.80 A)
 &rst
  ixpk= 4961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  15,  16,  17,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#   61 GLN  HA          144 LEU  MDX         4.00    (#   4965:20  Unique         3.53, 5.26 A)
 &rst
  ixpk= 4965, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:4968   144 LEU  MDX         5.00    (#   4968:20  Single Ambig)
 &rst
  ixpk= 4968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 945, 946, 504, 505,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:4969   144 LEU  MDX         4.00    (#   4969:20  Single Ambig)
 &rst
  ixpk= 4969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 995, 996, 998, 999,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:4970   144 LEU  MDX         3.00    (#   4970:20  Single Ambig)
 &rst
  ixpk= 4970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 501, 502, 995, 996,1012,1013,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:4973     0 AMB  20-1:4973   5.00    (#   4973:20  Double Ambig)
 &rst
  ixpk= 4973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=2156,1767,1768,
 igr2=2221,2222,2223,2225,2226,2227,1756,1757,1758,1760,
      1761,1762,
 &end
#
#    0 AMB  20-2:4974     0 AMB  20-1:4974   4.00    (#   4974:20  Double Ambig)
 &rst
  ixpk= 4974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1= 628, 629,2217,1587,1588,
 igr2=1756,1757,1758,1760,1761,1762,2221,2222,2223,2225,
      2226,2227,1619,1620,1621,1623,1624,1625,
 &end
#
#  136 LEU  MDY         140 VAL  MGX         5.00    (#   4975:20  Unique         1.97, 5.54 A)
 &rst
  ixpk= 4975, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#  115 TYR  HB+         123 LEU  MDY         5.00    (#   4977:20  Unique         1.99, 5.02 A)
 &rst
  ixpk= 4977, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1815,1816,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    0 AMB  20-2:4978   123 LEU  MDY         4.00    (#   4978:20  Single Ambig)
 &rst
  ixpk= 4978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1944,1945,   8,   9,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  123 LEU  HG          123 LEU  MDY         4.00    (#   4979:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 4979, nxpk= 20, iat=1947,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    0 AMB  20-2:4980     0 AMB  20-1:4980   5.00    (#   4980:20  Double Ambig)
 &rst
  ixpk= 4980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2345,1882,
 igr2=1887,1888,1887,1888,
 &end
#
#  144 LEU  HA          144 LEU  MDX         4.00    (#   4988:20  Unique         2.00, 3.95 A)
 &rst
  ixpk= 4988, nxpk= 20, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:5000     0 AMB  20-1:5000   4.00    (#   5000:20  Double Ambig)
 &rst
  ixpk= 5000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 529, 530, 155, 156,
 igr2=1017,1018,1019,1021,1022,1023,1619,1620,1621,1623,
      1624,1625,
 &end
#
#    0 AMB  20-2:5001     0 AMB  20-1:5001   4.00    (#   5001:20  Double Ambig)
 &rst
  ixpk= 5001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1= 167, 168,1552,1553,2273, 548,
 igr2=1619,1620,1621,1623,1624,1625,2221,2222,2223,2225,
      2226,2227,
 &end
#
#    0 AMB  20-2:5002     0 AMB  20-1:5002   3.00    (#   5002:20  Double Ambig)
 &rst
  ixpk= 5002, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1=1012,1013,1754,2219, 501, 502, 504, 505,
 igr2=2221,2222,2223,2225,2226,2227,1017,1018,1019,1021,
      1022,1023,1756,1757,1758,1760,1761,1762,
 &end
#
#    0 AMB  20-2:5003     0 AMB  20-1:5003   3.00    (#   5003:20  Double Ambig)
 &rst
  ixpk= 5003, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 534, 535, 536, 538, 539, 540,1047,1048,1049,1051,
      1052,1053,1012,1013,1012,1013,
 igr2=2221,2222,2223,2225,2226,2227,1017,1018,1019,1021,
      1022,1023,
 &end
#
#    0 AMB  20-2:5005     0 AMB  20-1:5005   3.00    (#   5005:20  Double Ambig)
 &rst
  ixpk= 5005, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1120,1121, 170,  15,  16,  17,
 igr2=1756,1757,1758,1760,1761,1762,1619,1620,1621,1623,
      1624,1625,
 &end
#
#    0 AMB  20-2:5006     0 AMB  20-1:5006   3.00    (#   5006:20  Double Ambig)
 &rst
  ixpk= 5006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 529, 530,1617,
 igr2=1017,1018,1019,1021,1022,1023,2221,2222,2223,2225,
      2226,2227,1619,1620,1621,1623,1624,1625,
 &end
#
#   10 LEU  HA          102 LEU  MDX         4.00    (#   5007:20  Unique         1.99, 4.71 A)
 &rst
  ixpk= 5007, nxpk= 20, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#    0 AMB  20-2:5008   102 LEU  MDX         3.00    (#   5008:20  Single Ambig)
 &rst
  ixpk= 5008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1612,1585,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#   23 ARG  HA           10 LEU  MDY         6.00    (#   5009:20  Unique         2.02, 5.23 A)
 &rst
  ixpk= 5009, nxpk= 20, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#  102 LEU  HA           10 LEU  MDY         5.00    (#   5010:20  Unique         3.60, 6.75 A)
 &rst
  ixpk= 5010, nxpk= 20, iat=1612,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   10 LEU  HB+          10 LEU  MDY         4.00    (#   5011:20  Unique         2.23, 3.37 A)
 &rst
  ixpk= 5011, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 167, 168,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   23 ARG  HB+          10 LEU  MDY         4.00    (#   5012:20  Unique         1.98, 5.05 A)
 &rst
  ixpk= 5012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 363, 364,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#    0 AMB  20-2:5013    10 LEU  MDY         3.00    (#   5013:20  Single Ambig)
 &rst
  ixpk= 5013, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 121, 122, 170,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#  136 LEU  HA          136 LEU  MDX         3.00    (#   5017:20  Unique         2.15, 3.85 A)
 &rst
  ixpk= 5017, nxpk= 20, iat=2137,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  20-2:5018     0 AMB  20-1:5018   4.00    (#   5018:20  Double Ambig)
 &rst
  ixpk= 5018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1794,1795,2004,2005,
 igr2=2144,2145,2146,2148,2149,2150,1949,1950,1951,1953,
      1954,1955,
 &end
#
#    0 AMB  20-2:5019     0 AMB  20-1:5019   4.00    (#   5019:20  Double Ambig)
 &rst
  ixpk= 5019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1=2129,2130,2131,2158,2159,1836,
 igr2=2144,2145,2146,2148,2149,2150,1949,1950,1951,1953,
      1954,1955,
 &end
#
#  136 LEU  HB-         136 LEU  MDX         4.00    (#   5020:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 5020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2139,2140,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  20-2:5021     0 AMB  20-1:5021   3.00    (#   5021:20  Double Ambig)
 &rst
  ixpk= 5021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1944,1945,2198,2199,
 igr2=1949,1950,1951,1953,1954,1955,2144,2145,2146,2148,
      2149,2150,
 &end
#
#    0 AMB  20-2:5029     0 AMB  20-1:5029   4.00    (#   5029:20  Double Ambig)
 &rst
  ixpk= 5029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2049,2050, 772,
 igr2= 702, 703, 704, 706, 707, 708, 824, 825, 826, 828,
       829, 830,
 &end
#
#   51 VAL  HA           51 VAL  MGY         4.00    (#   5030:20  Unique         2.00, 3.26 A)
 &rst
  ixpk= 5030, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#    0 AMB  20-2:5032     0 AMB  20-1:5032   4.00    (#   5032:20  Double Ambig)
 &rst
  ixpk= 5032, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=2065,2066,1253,1254,
 igr2= 702, 703, 704, 706, 707, 708,1230,1231,1232,1234,
      1235,1236,
 &end
#
#    0 AMB  20-2:5037     0 AMB  20-1:5037   5.00    (#   5037:20  Double Ambig)
 &rst
  ixpk= 5037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 716, 717, 498, 499, 885,
 igr2=1756,1757,1758,1760,1761,1762,1017,1018,1019,1021,
      1022,1023,
 &end
#
#    0 AMB  20-2:5038     0 AMB  20-1:5038   5.00    (#   5038:20  Double Ambig)
 &rst
  ixpk= 5038, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1= 945, 946,1669,1670,
 igr2=1017,1018,1019,1021,1022,1023,1619,1620,1621,1623,
      1624,1625,
 &end
#
#   36 PHE  HB+         111 VAL  MGX         4.00    (#   5040:20  Unique         1.96, 4.33 A)
 &rst
  ixpk= 5040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 584, 585,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   36 PHE  HB-         111 VAL  MGX         4.00    (#   5041:20  Unique         1.96, 4.33 A)
 &rst
  ixpk= 5041, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 584, 585,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   10 LEU  HA           10 LEU  MDY         4.00    (#   5042:20  Unique         1.98, 3.83 A)
 &rst
  ixpk= 5042, nxpk= 20, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   34 ILE  HG1+         10 LEU  MDY         5.00    (#   5043:20  Unique         2.47, 5.75 A)
 &rst
  ixpk= 5043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 554, 555,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#    0 AMB  20-2:5044    10 LEU  MDY         3.00    (#   5044:20  Single Ambig)
 &rst
  ixpk= 5044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1614,1615, 554, 555, 138, 139,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#  102 LEU  MDY          10 LEU  MDY         4.00    (#   5046:20  Unique         1.96, 5.71 A)
 &rst
  ixpk= 5046, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1619,1620,1621,1623,1624,1625,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#  114 TYR  HB+         136 LEU  MDX         5.00    (#   5047:20  Unique         1.97, 3.70 A)
 &rst
  ixpk= 5047, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1794,1795,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  20-2:5048   136 LEU  MDX         3.00    (#   5048:20  Single Ambig)
 &rst
  ixpk= 5048, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 534, 535, 536, 538, 539, 540,2139,2140,2142,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  20-2:5055    51 VAL  MGY         3.00    (#   5055:20  Single Ambig)
 &rst
  ixpk= 5055, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 822, 890, 891,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#   43 LEU  HA           43 LEU  MDX         3.00    (#   5062:20  Unique         1.99, 3.83 A)
 &rst
  ixpk= 5062, nxpk= 20, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   72 SER  HA           76 LEU  MDX         6.00    (#   5063:20  Unique         3.77, 6.93 A)
 &rst
  ixpk= 5063, nxpk= 20, iat=1173,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1230,1231,1232,1234,1235,1236,
 &end
#
#  131 SER  HB-          43 LEU  MDX         4.00    (#   5064:20  Unique         2.25, 5.93 A)
 &rst
  ixpk= 5064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2065,2066,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   46 GLU  HG-          43 LEU  MDX         6.00    (#   5065:20  Unique         2.72, 5.87 A)
 &rst
  ixpk= 5065, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 752, 753,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   43 LEU  HB+          43 LEU  MDX         3.00    (#   5066:20  Unique         1.98, 3.32 A)
 &rst
  ixpk= 5066, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 697, 698,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   14 LYS  HE+          96 VAL  MGX         5.00    (#   5069:20  Unique         2.03, 5.01 A)
 &rst
  ixpk= 5069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 231, 232,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   81 ILE  QG2           0 AMB  20-1:5070   5.00    (#   5070:20  Single Ambig)
 &rst
  ixpk= 5070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=1301,1302,1303,
 igr2= 283, 284, 285, 287, 288, 289,1538,1539,1540,1542,
      1543,1544,
 &end
#
#   75 ASP  HB+          96 VAL  MGX         6.00    (#   5072:20  Unique         4.46, 7.82 A)
 &rst
  ixpk= 5072, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1213,1214,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   14 LYS  HB-          96 VAL  MGX         3.00    (#   5073:20  Unique         2.44, 5.38 A)
 &rst
  ixpk= 5073, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 222, 223,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   78 PRO  HB-          96 VAL  MGX         3.00    (#   5074:20  Unique         2.32, 5.21 A)
 &rst
  ixpk= 5074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1259,1260,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   17 LEU  HB-          17 LEU  MDY         3.00    (#   5075:20  Unique         2.11, 3.44 A)
 &rst
  ixpk= 5075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 278, 279,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#  112 PRO  HD-          43 LEU  MDX         5.00    (#   5076:20  Unique         2.53, 5.47 A)
 &rst
  ixpk= 5076, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1767,1768,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:5078    64 VAL  MGY         4.00    (#   5078:20  Single Ambig)
 &rst
  ixpk= 5078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1469,1470, 966, 967,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   14 LYS  HE+          96 VAL  MGX         5.00    (#   5082:20  Unique         2.03, 5.01 A)
 &rst
  ixpk= 5082, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 231, 232,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#    0 AMB  20-2:5084    17 LEU  MDY         3.00    (#   5084:20  Single Ambig)
 &rst
  ixpk= 5084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1321,1322, 278, 279, 281,1299,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#   92 GLN  HG+          64 VAL  MGY         5.00    (#   5091:20  Unique         2.84, 6.00 A)
 &rst
  ixpk= 5091, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1469,1470,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   64 VAL  HB           64 VAL  MGY         3.00    (#   5092:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 5092, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   51 VAL  MGX          64 VAL  MGY         5.00    (#   5094:20  Unique         3.00, 6.85 A)
 &rst
  ixpk= 5094, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 824, 825, 826, 828, 829, 830,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  20-2:5095   128 ALA  MB          5.00    (#   5095:20  Single Ambig)
 &rst
  ixpk= 5095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1770,1771,1773,1774,2024,2025,
 igr2=2041,2042,2043,
 &end
#
#  110 TYR  HB-         128 ALA  MB          4.00    (#   5096:20  Unique         2.60, 4.13 A)
 &rst
  ixpk= 5096, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1733,1734,
 igr2=2041,2042,2043,
 &end
#
#  113 ALA  MB          128 ALA  MB          4.00    (#   5097:20  Unique         1.99, 3.61 A)
 &rst
  ixpk= 5097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1784,1785,1786,
 igr2=2041,2042,2043,
 &end
#
#   32 THR  HB           32 THR  MG2         4.00    (#   5098:20  Unique         2.29, 2.69 A)
 &rst
  ixpk= 5098, nxpk= 20, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 517, 518, 519,
 &end
#
#   63 ASN  HB-          32 THR  MG2         5.00    (#   5099:20  Unique         3.03, 4.85 A)
 &rst
  ixpk= 5099, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1031,1032,
 igr2= 517, 518, 519,
 &end
#
#   63 ASN  HB+          32 THR  MG2         4.00    (#   5100:20  Unique         3.03, 4.85 A)
 &rst
  ixpk= 5100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1031,1032,
 igr2= 517, 518, 519,
 &end
#
#  144 LEU  HA          143 VAL  MGX         6.00    (#   5101:20  Unique         3.12, 5.18 A)
 &rst
  ixpk= 5101, nxpk= 20, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  143 VAL  HA          143 VAL  MGX         3.00    (#   5102:20  Unique         1.98, 3.21 A)
 &rst
  ixpk= 5102, nxpk= 20, iat=2271,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  140 VAL  HA          143 VAL  MGX         4.00    (#   5103:20  Unique         3.68, 4.89 A)
 &rst
  ixpk= 5103, nxpk= 20, iat=2217,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#    0 AMB  20-2:5104   143 VAL  MGX         6.00    (#   5104:20  Single Ambig)
 &rst
  ixpk= 5104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1872,1873,2201,2202,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#    0 AMB  20-2:5105   143 VAL  MGX         3.00    (#   5105:20  Single Ambig)
 &rst
  ixpk= 5105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2273,2318,2319,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  124 ARG  HG-         143 VAL  MGX         4.00    (#   5106:20  Unique         1.99, 4.76 A)
 &rst
  ixpk= 5106, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1966,1967,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  124 ARG  HB-         143 VAL  MGX         4.00    (#   5107:20  Unique         2.12, 4.56 A)
 &rst
  ixpk= 5107, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1963,1964,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#   68 HIS  HB-          96 VAL  MGX         6.00    (#   5109:20  Unique         1.96, 4.17 A)
 &rst
  ixpk= 5109, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1103,1104,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   81 ILE  QG2           0 AMB  20-1:5110   4.00    (#   5110:20  Single Ambig)
 &rst
  ixpk= 5110, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1301,1302,1303,
 igr2= 283, 284, 285, 287, 288, 289,1538,1539,1540,1542,
      1543,1544,
 &end
#
#    0 AMB  20-2:5111    96 VAL  MGX         3.00    (#   5111:20  Single Ambig)
 &rst
  ixpk= 5111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=1103,1104,1536,1259,1260,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   81 ILE  HG1+         96 VAL  MGX         5.00    (#   5112:20  Unique         2.96, 6.22 A)
 &rst
  ixpk= 5112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1305,1306,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   81 ILE  QD1          96 VAL  MGX         4.00    (#   5113:20  Unique         1.92, 5.14 A)
 &rst
  ixpk= 5113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1308,1309,1310,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#  111 VAL  HA          128 ALA  MB          5.00    (#   5116:20  Unique         4.28, 5.68 A)
 &rst
  ixpk= 5116, nxpk= 20, iat=1752,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=2041,2042,2043,
 &end
#
#    0 AMB  20-2:5117   128 ALA  MB          5.00    (#   5117:20  Single Ambig)
 &rst
  ixpk= 5117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2022,2049,2050,
 igr2=2041,2042,2043,
 &end
#
#  110 TYR  HB+         128 ALA  MB          4.00    (#   5118:20  Unique         2.60, 4.13 A)
 &rst
  ixpk= 5118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1733,1734,
 igr2=2041,2042,2043,
 &end
#
#  119 LYS  HE+         120 THR  MG2         5.00    (#   5120:20  Unique         2.36, 5.23 A)
 &rst
  ixpk= 5120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1893,1894,
 igr2=1908,1909,1910,
 &end
#
#   34 ILE  HG1+         32 THR  MG2         3.00    (#   5121:20  Unique         2.39, 3.39 A)
 &rst
  ixpk= 5121, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 554, 555,
 igr2= 517, 518, 519,
 &end
#
#   26 LEU  HB+          32 THR  MG2         4.00    (#   5122:20  Unique         1.97, 4.04 A)
 &rst
  ixpk= 5122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 419, 420,
 igr2= 517, 518, 519,
 &end
#
#  122 GLN  HB+         120 THR  MG2         4.00    (#   5123:20  Unique         2.00, 4.25 A)
 &rst
  ixpk= 5123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1927,1928,
 igr2=1908,1909,1910,
 &end
#
#    0 AMB  20-2:5124    66 ALA  MB          3.00    (#   5124:20  Single Ambig)
 &rst
  ixpk= 5124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1499,1500,1501, 824, 825, 826, 828, 829, 830,
 igr2=1077,1078,1079,
 &end
#
#    0 AMB  20-2:5125     0 AMB  20-1:5125   3.00    (#   5125:20  Double Ambig)
 &rst
  ixpk= 5125, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1503,1504, 424, 425, 426, 428, 429, 430,
 igr2=1077,1078,1079, 517, 518, 519,
 &end
#
#    0 AMB  20-2:5127   103 THR  MG2         6.00    (#   5127:20  Single Ambig)
 &rst
  ixpk= 5127, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1123,1124,1647,1648,
 igr2=1635,1636,1637,
 &end
#
#  108 ASN  HB+         103 THR  MG2         3.00    (#   5128:20  Unique         2.02, 3.89 A)
 &rst
  ixpk= 5128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1704,1705,
 igr2=1635,1636,1637,
 &end
#
#   69 MET  ME          103 THR  MG2         5.00    (#   5130:20  Unique         3.29, 5.68 A)
 &rst
  ixpk= 5130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1127,1128,1129,
 igr2=1635,1636,1637,
 &end
#
#    0 AMB  20-2:5132   143 VAL  MGX         4.00    (#   5132:20  Single Ambig)
 &rst
  ixpk= 5132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1=2294,2295,2296,2298,2299,2300,2221,2222,2223,2225,
      2226,2227,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#   45 LYS  HE+          84 THR  MG2         6.00    (#   5137:20  Unique         4.30, 6.05 A)
 &rst
  ixpk= 5137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 736, 737,
 igr2=1357,1358,1359,
 &end
#
#   84 THR  HB           84 THR  MG2         3.00    (#   5138:20  Unique         2.32, 2.69 A)
 &rst
  ixpk= 5138, nxpk= 20, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1357,1358,1359,
 &end
#
#   84 THR  HA           84 THR  MG2         3.00    (#   5139:20  Unique         2.51, 3.40 A)
 &rst
  ixpk= 5139, nxpk= 20, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1357,1358,1359,
 &end
#
#   39 ILE  HA           84 THR  MG2         4.00    (#   5140:20  Unique         3.57, 4.52 A)
 &rst
  ixpk= 5140, nxpk= 20, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1357,1358,1359,
 &end
#
#   85 ALA  HA           84 THR  MG2         6.00    (#   5141:20  Unique         3.25, 4.28 A)
 &rst
  ixpk= 5141, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1357,1358,1359,
 &end
#
#   81 ILE  HA           84 THR  MG2         6.00    (#   5142:20  Unique         2.17, 3.77 A)
 &rst
  ixpk= 5142, nxpk= 20, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1357,1358,1359,
 &end
#
#   87 GLU  HB-          84 THR  MG2         5.00    (#   5144:20  Unique         3.93, 6.41 A)
 &rst
  ixpk= 5144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1389,1390,
 igr2=1357,1358,1359,
 &end
#
#   39 ILE  HB           84 THR  MG2         4.00    (#   5145:20  Unique         2.13, 3.44 A)
 &rst
  ixpk= 5145, nxpk= 20, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1357,1358,1359,
 &end
#
#   80 LYS  HB-          84 THR  MG2         6.00    (#   5146:20  Unique         4.73, 6.14 A)
 &rst
  ixpk= 5146, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1277,1278,
 igr2=1357,1358,1359,
 &end
#
#    0 AMB  20-2:5147    84 THR  MG2         4.00    (#   5147:20  Single Ambig)
 &rst
  ixpk= 5147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 733, 734, 733, 734,
 igr2=1357,1358,1359,
 &end
#
#   39 ILE  QG2          84 THR  MG2         3.00    (#   5148:20  Unique         1.96, 3.45 A)
 &rst
  ixpk= 5148, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 641, 642, 643,
 igr2=1357,1358,1359,
 &end
#
#   39 ILE  QD1          84 THR  MG2         5.00    (#   5150:20  Unique         2.40, 5.02 A)
 &rst
  ixpk= 5150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 648, 649, 650,
 igr2=1357,1358,1359,
 &end
#
#    0 AMB  20-2:5151    84 THR  MG2         5.00    (#   5151:20  Single Ambig)
 &rst
  ixpk= 5151, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1305,1306,1442,1443,1444,
 igr2=1357,1358,1359,
 &end
#
#   90 ILE  QG2          66 ALA  MB          5.00    (#   5158:20  Unique         3.45, 5.13 A)
 &rst
  ixpk= 5158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1435,1436,1437,
 igr2=1077,1078,1079,
 &end
#
#   66 ALA  HA           66 ALA  MB          3.00    (#   5159:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 5159, nxpk= 20, iat=1075,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1077,1078,1079,
 &end
#
#  104 ASP  HA          103 THR  MG2         6.00    (#   5160:20  Unique         3.82, 5.59 A)
 &rst
  ixpk= 5160, nxpk= 20, iat=1645,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1635,1636,1637,
 &end
#
#    0 AMB  20-2:5161   103 THR  MG2         4.00    (#   5161:20  Single Ambig)
 &rst
  ixpk= 5161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1687,1631,
 igr2=1635,1636,1637,
 &end
#
#  103 THR  HB          103 THR  MG2         4.00    (#   5162:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 5162, nxpk= 20, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1635,1636,1637,
 &end
#
#    0 AMB  20-2:5163   103 THR  MG2         5.00    (#   5163:20  Single Ambig)
 &rst
  ixpk= 5163, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1689,1690,1123,1124,
 igr2=1635,1636,1637,
 &end
#
#    3 LEU  HA            3 LEU  MDY         3.00    (#   5168:20  Unique         1.98, 3.89 A)
 &rst
  ixpk= 5168, nxpk= 20, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#  126 PHE  HB+           3 LEU  MDY         5.00    (#   5169:20  Unique         2.74, 6.48 A)
 &rst
  ixpk= 5169, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2004,2005,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  20-2:5170     3 LEU  MDY         3.00    (#   5170:20  Single Ambig)
 &rst
  ixpk= 5170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=  47,  48,  50,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    3 LEU  HB-           3 LEU  MDY         3.00    (#   5171:20  Unique         2.18, 3.32 A)
 &rst
  ixpk= 5171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=  47,  48,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#  123 LEU  HG            3 LEU  MDY         3.00    (#   5172:20  Unique         2.39, 5.17 A)
 &rst
  ixpk= 5172, nxpk= 20, iat=1947,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   94 ILE  HG1+         66 ALA  MB          4.00    (#   5176:20  Unique         1.90, 4.41 A)
 &rst
  ixpk= 5176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1503,1504,
 igr2=1077,1078,1079,
 &end
#
#   92 GLN  HG+          66 ALA  MB          4.00    (#   5177:20  Unique         2.67, 4.43 A)
 &rst
  ixpk= 5177, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1469,1470,
 igr2=1077,1078,1079,
 &end
#
#  120 THR  HA          120 THR  MG2         4.00    (#   5178:20  Unique         2.70, 3.75 A)
 &rst
  ixpk= 5178, nxpk= 20, iat=1904,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1908,1909,1910,
 &end
#
#  119 LYS  HE+         120 THR  MG2         5.00    (#   5179:20  Unique         2.36, 5.23 A)
 &rst
  ixpk= 5179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1893,1894,
 igr2=1908,1909,1910,
 &end
#
#   33 LEU  HB-          64 VAL  MGX         3.00    (#   5181:20  Unique         2.55, 4.89 A)
 &rst
  ixpk= 5181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 529, 530,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  20-2:5182    64 VAL  MGX         4.00    (#   5182:20  Single Ambig)
 &rst
  ixpk= 5182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1=1012,1013,1483,1484,1061,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   65 VAL  HA           65 VAL  MGX         3.00    (#   5184:20  Unique         2.25, 3.57 A)
 &rst
  ixpk= 5184, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#    0 AMB  20-2:5185    65 VAL  MGX         5.00    (#   5185:20  Single Ambig)
 &rst
  ixpk= 5185, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1486,1487,1486,1487,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#    0 AMB  20-2:5186    65 VAL  MGX         3.00    (#   5186:20  Single Ambig)
 &rst
  ixpk= 5186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 554, 555,1061,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#    0 AMB  20-2:5188    65 VAL  MGX         3.00    (#   5188:20  Single Ambig)
 &rst
  ixpk= 5188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 554, 555, 517, 518, 519,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   34 ILE  QG2          65 VAL  MGX         3.00    (#   5189:20  Unique         2.14, 4.66 A)
 &rst
  ixpk= 5189, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 550, 551, 552,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   67 VAL  MGX          66 ALA  MB          6.00    (#   5198:20  Unique         4.59, 6.83 A)
 &rst
  ixpk= 5198, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1089,1090,1091,1093,1094,1095,
 igr2=1077,1078,1079,
 &end
#
#   55 ARG  HA           64 VAL  MGX         4.00    (#   5199:20  Unique         1.96, 3.83 A)
 &rst
  ixpk= 5199, nxpk= 20, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  20-2:5200    64 VAL  MGX         5.00    (#   5200:20  Single Ambig)
 &rst
  ixpk= 5200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 887, 888, 945, 946,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   64 VAL  HB           64 VAL  MGX         3.00    (#   5201:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 5201, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   62 LEU  HG           64 VAL  MGX         4.00    (#   5202:20  Unique         2.38, 4.94 A)
 &rst
  ixpk= 5202, nxpk= 20, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   62 LEU  MDY          64 VAL  MGX         3.00    (#   5203:20  Unique         1.96, 5.30 A)
 &rst
  ixpk= 5203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1017,1018,1019,1021,1022,1023,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   33 LEU  HB+          64 VAL  MGX         5.00    (#   5204:20  Unique         2.55, 4.89 A)
 &rst
  ixpk= 5204, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 529, 530,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   92 GLN  HG+          64 VAL  MGX         5.00    (#   5205:20  Unique         2.84, 6.00 A)
 &rst
  ixpk= 5205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1469,1470,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#    7 MET  ME           26 LEU  MDX         5.00    (#   5208:20  Unique         2.88, 5.88 A)
 &rst
  ixpk= 5208, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 128, 129, 130,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#  148 GLU  HG+         147 THR  MG2         6.00    (#   5221:20  Unique         2.94, 5.60 A)
 &rst
  ixpk= 5221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2350,2351,
 igr2=2335,2336,2337,
 &end
#
#   26 LEU  HA           26 LEU  MDX         4.00    (#   5225:20  Unique         1.93, 3.67 A)
 &rst
  ixpk= 5225, nxpk= 20, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   23 ARG  HA           26 LEU  MDX         5.00    (#   5226:20  Unique         1.97, 4.51 A)
 &rst
  ixpk= 5226, nxpk= 20, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   63 ASN  HB-          26 LEU  MDX         5.00    (#   5227:20  Unique         2.21, 4.74 A)
 &rst
  ixpk= 5227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1031,1032,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   63 ASN  HB+          26 LEU  MDX         4.00    (#   5228:20  Unique         2.21, 4.74 A)
 &rst
  ixpk= 5228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1031,1032,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:5229    26 LEU  MDX         3.00    (#   5229:20  Single Ambig)
 &rst
  ixpk= 5229, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 419, 420, 422,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:5230    26 LEU  MDX         3.00    (#   5230:20  Single Ambig)
 &rst
  ixpk= 5230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 517, 518, 519, 554, 555,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   65 VAL  MGX          26 LEU  MDX         3.00    (#   5231:20  Unique         1.95, 4.21 A)
 &rst
  ixpk= 5231, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1063,1064,1065,1067,1068,1069,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   67 VAL  HA           67 VAL  MGY         4.00    (#   5234:20  Unique         2.12, 3.16 A)
 &rst
  ixpk= 5234, nxpk= 20, iat=1085,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#    0 AMB  20-2:5235    67 VAL  MGY         5.00    (#   5235:20  Single Ambig)
 &rst
  ixpk= 5235, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 584, 585,1552,1553,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#  102 LEU  MDX          67 VAL  MGY         4.00    (#   5236:20  Unique         2.02, 5.63 A)
 &rst
  ixpk= 5236, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1619,1620,1621,1623,1624,1625,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   67 VAL  HB           67 VAL  MGY         3.00    (#   5238:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 5238, nxpk= 20, iat=1087,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#  102 LEU  MDY          67 VAL  MGY         4.00    (#   5240:20  Unique         2.02, 5.63 A)
 &rst
  ixpk= 5240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1619,1620,1621,1623,1624,1625,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#    0 AMB  20-2:5245     0 AMB  20-1:5245   6.00    (#   5245:20  Double Ambig)
 &rst
  ixpk= 5245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.48, r4=12.98,
 igr1=2221,2222,2223,2225,2226,2227,1435,1436,1437,
 igr2=1047,1048,1049,1051,1052,1053,1454,1455,1456,
 &end
#
#  140 VAL  MGY          64 VAL  MGX         5.00    (#   5246:20  Unique         3.94, 7.05 A)
 &rst
  ixpk= 5246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=2221,2222,2223,2225,2226,2227,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  20-2:5247   143 VAL  MGY         3.00    (#   5247:20  Single Ambig)
 &rst
  ixpk= 5247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1966,1967, 501, 502, 504, 505,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#   21 VAL  HA           21 VAL  MGX         4.00    (#   5249:20  Unique         2.19, 3.40 A)
 &rst
  ixpk= 5249, nxpk= 20, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   26 LEU  HA           21 VAL  MGX         4.00    (#   5250:20  Unique         2.10, 4.63 A)
 &rst
  ixpk= 5250, nxpk= 20, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   20 GLU  HA           21 VAL  MGX         6.00    (#   5251:20  Unique         2.94, 5.44 A)
 &rst
  ixpk= 5251, nxpk= 20, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#    0 AMB  20-2:5252     0 AMB  20-1:5252   5.00    (#   5252:20  Double Ambig)
 &rst
  ixpk= 5252, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.20, r4=10.70,
 igr1=1103,1104,1486,1487,1486,1487,
 igr2=1538,1539,1540,1542,1543,1544, 335, 336, 337, 339,
       340, 341,
 &end
#
#    0 AMB  20-2:5253     0 AMB  20-1:5253   3.00    (#   5253:20  Double Ambig)
 &rst
  ixpk= 5253, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 333, 222, 223,
 igr2= 335, 336, 337, 339, 340, 341,1538,1539,1540,1542,
      1543,1544,
 &end
#
#    0 AMB  20-2:5254    26 LEU  MDX         5.00    (#   5254:20  Single Ambig)
 &rst
  ixpk= 5254, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 436,1918,1919,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:5258    67 VAL  MGY         5.00    (#   5258:20  Single Ambig)
 &rst
  ixpk= 5258, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 548,1103,1104,1552,1553,1536,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   22 THR  HB           22 THR  MG2         3.00    (#   5261:20  Unique         2.32, 2.69 A)
 &rst
  ixpk= 5261, nxpk= 20, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 351, 352, 353,
 &end
#
#   91 THR  HB           91 THR  MG2         3.00    (#   5264:20  Unique         2.29, 2.69 A)
 &rst
  ixpk= 5264, nxpk= 20, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1454,1455,1456,
 &end
#
#   91 THR  HA           91 THR  MG2         3.00    (#   5265:20  Unique         2.57, 3.32 A)
 &rst
  ixpk= 5265, nxpk= 20, iat=1450,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1454,1455,1456,
 &end
#
#  118 ASP  HA          143 VAL  MGY         3.00    (#   5268:20  Unique         2.43, 4.09 A)
 &rst
  ixpk= 5268, nxpk= 20, iat=1870,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#   31 PRO  HA          143 VAL  MGY         5.00    (#   5269:20  Unique         4.21, 6.13 A)
 &rst
  ixpk= 5269, nxpk= 20, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  144 LEU  HA          143 VAL  MGY         5.00    (#   5271:20  Unique         3.12, 5.18 A)
 &rst
  ixpk= 5271, nxpk= 20, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  143 VAL  HA          143 VAL  MGY         3.00    (#   5272:20  Unique         1.98, 3.21 A)
 &rst
  ixpk= 5272, nxpk= 20, iat=2271,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  118 ASP  HB-         143 VAL  MGY         5.00    (#   5273:20  Unique         3.28, 6.26 A)
 &rst
  ixpk= 5273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1872,1873,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  140 VAL  HA          143 VAL  MGY         5.00    (#   5274:20  Unique         3.68, 4.89 A)
 &rst
  ixpk= 5274, nxpk= 20, iat=2217,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#    0 AMB  20-2:5275   143 VAL  MGY         5.00    (#   5275:20  Single Ambig)
 &rst
  ixpk= 5275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1872,1873,2201,2202,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#   31 PRO  HB-         143 VAL  MGY         4.00    (#   5276:20  Unique         2.05, 4.13 A)
 &rst
  ixpk= 5276, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 504, 505,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#    0 AMB  20-2:5277   143 VAL  MGY         3.00    (#   5277:20  Single Ambig)
 &rst
  ixpk= 5277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2273,2318,2319,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  124 ARG  HB-         143 VAL  MGY         4.00    (#   5279:20  Unique         2.12, 4.56 A)
 &rst
  ixpk= 5279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1963,1964,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#    0 AMB  20-2:5280   143 VAL  MGY         4.00    (#   5280:20  Single Ambig)
 &rst
  ixpk= 5280, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1=2294,2295,2296,2298,2299,2300,2221,2222,2223,2225,
      2226,2227,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  136 LEU  MDY         116 VAL  MGX         5.00    (#   5281:20  Unique         2.19, 6.07 A)
 &rst
  ixpk= 5281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#  125 HIS  HB-           0 AMB  20-1:5282   5.00    (#   5282:20  Single Ambig)
 &rst
  ixpk= 5282, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1987,1988,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#   33 LEU  HG            0 AMB  20-1:5283   5.00    (#   5283:20  Single Ambig)
 &rst
  ixpk= 5283, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#   33 LEU  MDY           0 AMB  20-1:5284   3.00    (#   5284:20  Single Ambig)
 &rst
  ixpk= 5284, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 534, 535, 536, 538, 539, 540,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#   63 ASN  HB+          21 VAL  MGX         6.00    (#   5287:20  Unique         3.85, 6.63 A)
 &rst
  ixpk= 5287, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1031,1032,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#    0 AMB  20-2:5289     0 AMB  20-1:5289   3.00    (#   5289:20  Double Ambig)
 &rst
  ixpk= 5289, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1061,1497,1140,1141,
 igr2= 335, 336, 337, 339, 340, 341,1538,1539,1540,1542,
      1543,1544,
 &end
#
#   15 ALA  MB           96 VAL  MGY         3.00    (#   5290:20  Unique         1.96, 4.38 A)
 &rst
  ixpk= 5290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 244, 245, 246,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#  141 ASN  HA          140 VAL  MGY         5.00    (#   5292:20  Unique         2.96, 5.11 A)
 &rst
  ixpk= 5292, nxpk= 20, iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#  136 LEU  HG          140 VAL  MGY         4.00    (#   5293:20  Unique         2.51, 5.56 A)
 &rst
  ixpk= 5293, nxpk= 20, iat=2142,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#  147 THR  HB          147 THR  MG2         3.00    (#   5300:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 5300, nxpk= 20, iat=2333,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=2335,2336,2337,
 &end
#
#    0 AMB  20-2:5301   147 THR  MG2         5.00    (#   5301:20  Single Ambig)
 &rst
  ixpk= 5301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2347,2348, 501, 502,
 igr2=2335,2336,2337,
 &end
#
#  119 LYS  HB-         147 THR  MG2         6.00    (#   5302:20  Unique         2.00, 4.07 A)
 &rst
  ixpk= 5302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1884,1885,
 igr2=2335,2336,2337,
 &end
#
#  148 GLU  HG+         147 THR  MG2         6.00    (#   5303:20  Unique         2.94, 5.60 A)
 &rst
  ixpk= 5303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2350,2351,
 igr2=2335,2336,2337,
 &end
#
#  144 LEU  HB+         147 THR  MG2         6.00    (#   5304:20  Unique         3.97, 6.90 A)
 &rst
  ixpk= 5304, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2289,2290,
 igr2=2335,2336,2337,
 &end
#
#  119 LYS  HG+         147 THR  MG2         3.00    (#   5306:20  Unique         2.19, 3.86 A)
 &rst
  ixpk= 5306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1887,1888,
 igr2=2335,2336,2337,
 &end
#
#   11 THR  HB           22 THR  MG2         4.00    (#   5311:20  Unique         2.66, 4.78 A)
 &rst
  ixpk= 5311, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 351, 352, 353,
 &end
#
#   24 GLU  HG+          22 THR  MG2         4.00    (#   5313:20  Unique         3.40, 5.12 A)
 &rst
  ixpk= 5313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 390, 391,
 igr2= 351, 352, 353,
 &end
#
#   78 PRO  HB+          15 ALA  MB          4.00    (#   5314:20  Unique         1.97, 2.53 A)
 &rst
  ixpk= 5314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1259,1260,
 igr2= 244, 245, 246,
 &end
#
#   26 LEU  HB+          22 THR  MG2         6.00    (#   5315:20  Unique         5.75, 7.73 A)
 &rst
  ixpk= 5315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 419, 420,
 igr2= 351, 352, 353,
 &end
#
#   96 VAL  MGX          15 ALA  MB          3.00    (#   5318:20  Unique         1.96, 4.38 A)
 &rst
  ixpk= 5318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1538,1539,1540,1542,1543,1544,
 igr2= 244, 245, 246,
 &end
#
#    0 AMB  20-2:5319     0 AMB  20-1:5319   4.00    (#   5319:20  Double Ambig)
 &rst
  ixpk= 5319, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
 igr1= 529, 530, 529, 530,1987,1988,1987,1988,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#  116 VAL  HB            0 AMB  20-1:5320   3.00    (#   5320:20  Single Ambig)
 &rst
  ixpk= 5320, nxpk= 20, iat=1836,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#   33 LEU  HB-           0 AMB  20-1:5321   4.00    (#   5321:20  Single Ambig)
 &rst
  ixpk= 5321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 529, 530,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#  136 LEU  MDX           0 AMB  20-1:5322   3.00    (#   5322:20  Single Ambig)
 &rst
  ixpk= 5322, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#   96 VAL  HA           96 VAL  MGY         4.00    (#   5324:20  Unique         2.25, 3.42 A)
 &rst
  ixpk= 5324, nxpk= 20, iat=1534,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   20 GLU  HA           21 VAL  MGX         6.00    (#   5325:20  Unique         2.94, 5.44 A)
 &rst
  ixpk= 5325, nxpk= 20, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#    0 AMB  20-2:5326     0 AMB  20-1:5326   5.00    (#   5326:20  Double Ambig)
 &rst
  ixpk= 5326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.20, r4=10.70,
 igr1=1103,1104,1486,1487,1486,1487,
 igr2=1538,1539,1540,1542,1543,1544, 335, 336, 337, 339,
       340, 341,
 &end
#
#    0 AMB  20-2:5327    96 VAL  MGY         3.00    (#   5327:20  Single Ambig)
 &rst
  ixpk= 5327, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=1103,1104,1536,1259,1260,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#    0 AMB  20-2:5328    96 VAL  MGY         4.00    (#   5328:20  Single Ambig)
 &rst
  ixpk= 5328, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 281, 278, 279,1299,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   81 ILE  QG2          96 VAL  MGY         3.00    (#   5329:20  Unique         2.73, 5.53 A)
 &rst
  ixpk= 5329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1301,1302,1303,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   81 ILE  QD1          96 VAL  MGY         4.00    (#   5330:20  Unique         1.92, 5.14 A)
 &rst
  ixpk= 5330, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1308,1309,1310,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   90 ILE  QG2          91 THR  MG2         6.00    (#   5336:20  Unique         5.04, 6.97 A)
 &rst
  ixpk= 5336, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1435,1436,1437,
 igr2=1454,1455,1456,
 &end
#
#    0 AMB  20-2:5337     0 AMB  20-1:5337   5.00    (#   5337:20  Double Ambig)
 &rst
  ixpk= 5337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=1963,1964,2195,2196,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#    0 AMB  20-2:5338     0 AMB  20-1:5338   5.00    (#   5338:20  Double Ambig)
 &rst
  ixpk= 5338, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=2198,2199,2198,2199,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#   95 PHE  HA           96 VAL  MGY         6.00    (#   5339:20  Unique         3.30, 5.54 A)
 &rst
  ixpk= 5339, nxpk= 20, iat=1514,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#  141 ASN  HA          140 VAL  MGY         5.00    (#   5340:20  Unique         2.96, 5.11 A)
 &rst
  ixpk= 5340, nxpk= 20, iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#  137 GLU  HA          140 VAL  MGY         5.00    (#   5341:20  Unique         2.24, 4.83 A)
 &rst
  ixpk= 5341, nxpk= 20, iat=2156,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#  140 VAL  HA          140 VAL  MGY         4.00    (#   5342:20  Unique         2.02, 3.21 A)
 &rst
  ixpk= 5342, nxpk= 20, iat=2217,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#    0 AMB  20-2:5344   140 VAL  MGY         5.00    (#   5344:20  Single Ambig)
 &rst
  ixpk= 5344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2273,2158,2159,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#    0 AMB  20-2:5345   140 VAL  MGY         3.00    (#   5345:20  Single Ambig)
 &rst
  ixpk= 5345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2219, 995, 996,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#    0 AMB  20-2:5346   140 VAL  MGY         4.00    (#   5346:20  Single Ambig)
 &rst
  ixpk= 5346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1015,2292,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#  144 LEU  HB-         140 VAL  MGY         5.00    (#   5347:20  Unique         4.48, 7.54 A)
 &rst
  ixpk= 5347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2289,2290,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#  136 LEU  HB-         116 VAL  MGY         6.00    (#   5354:20  Unique         5.23, 7.93 A)
 &rst
  ixpk= 5354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2139,2140,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#  139 ARG  HB-         116 VAL  MGY         5.00    (#   5355:20  Unique         2.74, 5.52 A)
 &rst
  ixpk= 5355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2195,2196,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#  140 VAL  HA          116 VAL  MGY         5.00    (#   5356:20  Unique         2.04, 3.83 A)
 &rst
  ixpk= 5356, nxpk= 20, iat=2217,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#  116 VAL  HB          116 VAL  MGY         3.00    (#   5357:20  Unique         2.24, 2.65 A)
 &rst
  ixpk= 5357, nxpk= 20, iat=1836,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#  124 ARG  HG-         116 VAL  MGY         5.00    (#   5358:20  Unique         3.36, 6.45 A)
 &rst
  ixpk= 5358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1966,1967,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#   10 LEU  HB-          21 VAL  MGY         6.00    (#   5376:20  Unique         5.00, 7.93 A)
 &rst
  ixpk= 5376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 167, 168,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   21 VAL  HA           21 VAL  MGY         5.00    (#   5388:20  Unique         2.19, 3.40 A)
 &rst
  ixpk= 5388, nxpk= 20, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#    0 AMB  20-2:5389    21 VAL  MGY         6.00    (#   5389:20  Single Ambig)
 &rst
  ixpk= 5389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1480,1481,1480,1481,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   20 GLU  HA           21 VAL  MGY         6.00    (#   5390:20  Unique         2.94, 5.44 A)
 &rst
  ixpk= 5390, nxpk= 20, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   93 PRO  HB+          21 VAL  MGY         5.00    (#   5391:20  Unique         2.06, 4.30 A)
 &rst
  ixpk= 5391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1486,1487,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   25 GLN  HB-          21 VAL  MGY         5.00    (#   5392:20  Unique         1.95, 4.23 A)
 &rst
  ixpk= 5392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 402, 403,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   65 VAL  HB           21 VAL  MGY         4.00    (#   5393:20  Unique         3.09, 4.96 A)
 &rst
  ixpk= 5393, nxpk= 20, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#    0 AMB  20-2:5394    21 VAL  MGY         4.00    (#   5394:20  Single Ambig)
 &rst
  ixpk= 5394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 422, 419, 420, 419, 420,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   21 VAL  HB           21 VAL  MGY         4.00    (#   5395:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 5395, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   65 VAL  MGX          21 VAL  MGY         4.00    (#   5396:20  Unique         2.61, 6.22 A)
 &rst
  ixpk= 5396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1063,1064,1065,1067,1068,1069,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   93 PRO  HB+          65 VAL  MGY         5.00    (#   5407:20  Unique         2.80, 6.24 A)
 &rst
  ixpk= 5407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1486,1487,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   65 VAL  HA           65 VAL  MGY         4.00    (#   5409:20  Unique         2.25, 3.57 A)
 &rst
  ixpk= 5409, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#    0 AMB  20-2:5410    65 VAL  MGY         3.00    (#   5410:20  Single Ambig)
 &rst
  ixpk= 5410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 554, 555,1061,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   32 THR  MG2          65 VAL  MGY         5.00    (#   5411:20  Unique         2.37, 4.86 A)
 &rst
  ixpk= 5411, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 517, 518, 519,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   21 VAL  MGX          65 VAL  MGY         3.00    (#   5412:20  Unique         2.61, 6.22 A)
 &rst
  ixpk= 5412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 335, 336, 337, 339, 340, 341,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   10 LEU  HA           11 THR  MG2         5.00    (#   5420:20  Unique         3.85, 5.03 A)
 &rst
  ixpk= 5420, nxpk= 20, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 188, 189, 190,
 &end
#
#   11 THR  HB           11 THR  MG2         3.00    (#   5421:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 5421, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 188, 189, 190,
 &end
#
#    9 GLU  HG+          11 THR  MG2         5.00    (#   5423:20  Unique         2.84, 5.19 A)
 &rst
  ixpk= 5423, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 155, 156,
 igr2= 188, 189, 190,
 &end
#
#    9 GLU  HG-          11 THR  MG2         5.00    (#   5424:20  Unique         2.84, 5.19 A)
 &rst
  ixpk= 5424, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 155, 156,
 igr2= 188, 189, 190,
 &end
#
#    9 GLU  HB-          11 THR  MG2         4.00    (#   5425:20  Unique         2.02, 4.66 A)
 &rst
  ixpk= 5425, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 152, 153,
 igr2= 188, 189, 190,
 &end
#
#    9 GLU  HB+          11 THR  MG2         4.00    (#   5426:20  Unique         2.02, 4.66 A)
 &rst
  ixpk= 5426, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 152, 153,
 igr2= 188, 189, 190,
 &end
#
#    0 AMB  20-2:5428    65 VAL  MGY         5.00    (#   5428:20  Single Ambig)
 &rst
  ixpk= 5428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 548, 167, 168,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   34 ILE  QG2          65 VAL  MGY         4.00    (#   5429:20  Unique         2.14, 4.66 A)
 &rst
  ixpk= 5429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 550, 551, 552,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   67 VAL  MGX          65 VAL  MGY         5.00    (#   5430:20  Unique         2.71, 6.71 A)
 &rst
  ixpk= 5430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=1089,1090,1091,1093,1094,1095,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   67 VAL  MGY          65 VAL  MGY         6.00    (#   5436:20  Unique         2.71, 6.71 A)
 &rst
  ixpk= 5436, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1089,1090,1091,1093,1094,1095,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   51 VAL  MGY          47 ALA  MB          3.00    (#   5445:20  Unique         2.25, 5.87 A)
 &rst
  ixpk= 5445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 824, 825, 826, 828, 829, 830,
 igr2= 764, 765, 766,
 &end
#
#   48 MET  HA           51 VAL  MGX         5.00    (#   5449:20  Unique         2.61, 4.51 A)
 &rst
  ixpk= 5449, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#   90 ILE  QG2          51 VAL  MGX         6.00    (#   5450:20  Unique         1.98, 5.10 A)
 &rst
  ixpk= 5450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1435,1436,1437,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#    0 AMB  20-2:5456     0 AMB  20-1:5456   3.00    (#   5456:20  Double Ambig)
 &rst
  ixpk= 5456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 762, 165,
 igr2= 764, 765, 766,1604,1605,1606,
 &end
#
#    0 AMB  20-2:5457    47 ALA  MB          6.00    (#   5457:20  Single Ambig)
 &rst
  ixpk= 5457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 808, 809, 774, 775,
 igr2= 764, 765, 766,
 &end
#
#   51 VAL  HA           51 VAL  MGX         4.00    (#   5459:20  Unique         2.00, 3.26 A)
 &rst
  ixpk= 5459, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#    0 AMB  20-2:5460    51 VAL  MGX         4.00    (#   5460:20  Single Ambig)
 &rst
  ixpk= 5460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 822, 890, 891,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#   64 VAL  MGY          51 VAL  MGX         5.00    (#   5461:20  Unique         3.00, 6.85 A)
 &rst
  ixpk= 5461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=1047,1048,1049,1051,1052,1053,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#    0 AMB  20-2:5471     0 AMB  20-1:5471   5.00    (#   5471:20  Double Ambig)
 &rst
  ixpk= 5471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 604, 605, 198, 199,
 igr2= 764, 765, 766,1604,1605,1606,
 &end
#
#    0 AMB  20-2:5473     0 AMB  20-1:5473   5.00    (#   5473:20  Double Ambig)
 &rst
  ixpk= 5473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1575,1576,1773,1774,
 igr2=1604,1605,1606, 764, 765, 766,
 &end
#
#  104 ASP  HB+         101 ALA  MB          5.00    (#   5474:20  Unique         3.90, 5.74 A)
 &rst
  ixpk= 5474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1647,1648,
 igr2=1604,1605,1606,
 &end
#
#    0 AMB  20-2:5475     0 AMB  20-1:5475   5.00    (#   5475:20  Double Ambig)
 &rst
  ixpk= 5475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 749, 750, 167, 168,
 igr2= 764, 765, 766,1604,1605,1606,
 &end
#
#    0 AMB  20-2:5476    47 ALA  MB          5.00    (#   5476:20  Single Ambig)
 &rst
  ixpk= 5476, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=2083,2084,1773,1774, 805, 806,1770,1771,1770,1771,
      
 igr2= 764, 765, 766,
 &end
#
#   11 THR  MG2         101 ALA  MB          5.00    (#   5477:20  Unique         1.99, 3.53 A)
 &rst
  ixpk= 5477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 188, 189, 190,
 igr2=1604,1605,1606,
 &end
#
#   81 ILE  HA           39 ILE  QG2         4.00    (#   5483:20  Unique         2.45, 3.71 A)
 &rst
  ixpk= 5483, nxpk= 20, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 641, 642, 643,
 &end
#
#   39 ILE  HB           39 ILE  QG2         4.00    (#   5484:20  Unique         2.24, 2.64 A)
 &rst
  ixpk= 5484, nxpk= 20, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 641, 642, 643,
 &end
#
#   84 THR  MG2          39 ILE  QG2         3.00    (#   5485:20  Unique         1.96, 3.45 A)
 &rst
  ixpk= 5485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1357,1358,1359,
 igr2= 641, 642, 643,
 &end
#
#   39 ILE  QD1          39 ILE  QG2         3.00    (#   5486:20  Unique         1.99, 3.82 A)
 &rst
  ixpk= 5486, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 648, 649, 650,
 igr2= 641, 642, 643,
 &end
#
#   81 ILE  QG2          39 ILE  QG2         4.00    (#   5487:20  Unique         3.61, 5.28 A)
 &rst
  ixpk= 5487, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1301,1302,1303,
 igr2= 641, 642, 643,
 &end
#
#   81 ILE  QD1          39 ILE  QG2         5.00    (#   5488:20  Unique         1.98, 5.19 A)
 &rst
  ixpk= 5488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1308,1309,1310,
 igr2= 641, 642, 643,
 &end
#
#   81 ILE  HG1-         39 ILE  QG2         5.00    (#   5489:20  Unique         2.01, 3.70 A)
 &rst
  ixpk= 5489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1305,1306,
 igr2= 641, 642, 643,
 &end
#
#   39 ILE  HG1+         39 ILE  QG2         4.00    (#   5490:20  Unique         2.13, 3.48 A)
 &rst
  ixpk= 5490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 645, 646,
 igr2= 641, 642, 643,
 &end
#
#   95 PHE  HB+          67 VAL  MGX         6.00    (#   5491:20  Unique         2.02, 4.91 A)
 &rst
  ixpk= 5491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1516,1517,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#  102 LEU  MDX          67 VAL  MGX         6.00    (#   5492:20  Unique         2.02, 5.63 A)
 &rst
  ixpk= 5492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1619,1620,1621,1623,1624,1625,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#  101 ALA  HA          101 ALA  MB          3.00    (#   5493:20  Unique         2.26, 2.66 A)
 &rst
  ixpk= 5493, nxpk= 20, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1604,1605,1606,
 &end
#
#   84 THR  HB           39 ILE  QG2         4.00    (#   5494:20  Unique         2.89, 4.17 A)
 &rst
  ixpk= 5494, nxpk= 20, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 641, 642, 643,
 &end
#
#   84 THR  HA           39 ILE  QG2         5.00    (#   5495:20  Unique         5.29, 6.32 A)
 &rst
  ixpk= 5495, nxpk= 20, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 641, 642, 643,
 &end
#
#   39 ILE  HA           39 ILE  QG2         4.00    (#   5496:20  Unique         2.20, 3.13 A)
 &rst
  ixpk= 5496, nxpk= 20, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 641, 642, 643,
 &end
#
#   67 VAL  HA           67 VAL  MGX         5.00    (#   5499:20  Unique         2.12, 3.16 A)
 &rst
  ixpk= 5499, nxpk= 20, iat=1085,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#    0 AMB  20-2:5500    67 VAL  MGX         5.00    (#   5500:20  Single Ambig)
 &rst
  ixpk= 5500, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.20, r4=10.70,
 igr1=1063,1064,1065,1067,1068,1069,1063,1064,1065,1067,
      1068,1069,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   34 ILE  QG2          67 VAL  MGX         3.00    (#   5501:20  Unique         1.97, 4.23 A)
 &rst
  ixpk= 5501, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 550, 551, 552,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#    0 AMB  20-2:5506    67 VAL  MGX         6.00    (#   5506:20  Single Ambig)
 &rst
  ixpk= 5506, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 554, 555,1614,1615,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#  145 ALA  HA          145 ALA  MB          3.00    (#   5552:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 5552, nxpk= 20, iat=2306,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=2308,2309,2310,
 &end
#
#  142 ARG  HA          145 ALA  MB          4.00    (#   5553:20  Unique         2.75, 3.91 A)
 &rst
  ixpk= 5553, nxpk= 20, iat=2247,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=2308,2309,2310,
 &end
#
#  143 VAL  HA          145 ALA  MB          6.00    (#   5554:20  Unique         5.16, 6.31 A)
 &rst
  ixpk= 5554, nxpk= 20, iat=2271,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=2308,2309,2310,
 &end
#
#  142 ARG  HD+         145 ALA  MB          5.00    (#   5555:20  Unique         2.37, 4.75 A)
 &rst
  ixpk= 5555, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2255,2256,
 igr2=2308,2309,2310,
 &end
#
#  141 ASN  HB+         145 ALA  MB          6.00    (#   5556:20  Unique         4.56, 6.48 A)
 &rst
  ixpk= 5556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2235,2236,
 igr2=2308,2309,2310,
 &end
#
#  146 GLU  HG-         145 ALA  MB          6.00    (#   5557:20  Unique         3.11, 5.44 A)
 &rst
  ixpk= 5557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2321,2322,
 igr2=2308,2309,2310,
 &end
#
#    0 AMB  20-2:5558   145 ALA  MB          5.00    (#   5558:20  Single Ambig)
 &rst
  ixpk= 5558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2318,2319,2249,2250,
 igr2=2308,2309,2310,
 &end
#
#    0 AMB  20-2:5559   145 ALA  MB          5.00    (#   5559:20  Single Ambig)
 &rst
  ixpk= 5559, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2249,2250,2347,2348,
 igr2=2308,2309,2310,
 &end
#
#  144 LEU  HB+         145 ALA  MB          5.00    (#   5560:20  Unique         4.03, 5.39 A)
 &rst
  ixpk= 5560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2289,2290,
 igr2=2308,2309,2310,
 &end
#
#   94 ILE  HG1+         94 ILE  QG2         5.00    (#   5571:20  Unique         2.38, 3.59 A)
 &rst
  ixpk= 5571, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1503,1504,
 igr2=1499,1500,1501,
 &end
#
#    0 AMB  20-2:5572    94 ILE  QG2         5.00    (#   5572:20  Single Ambig)
 &rst
  ixpk= 5572, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1103,1104,1536,
 igr2=1499,1500,1501,
 &end
#
#   66 ALA  MB           94 ILE  QG2         4.00    (#   5573:20  Unique         1.96, 4.31 A)
 &rst
  ixpk= 5573, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1077,1078,1079,
 igr2=1499,1500,1501,
 &end
#
#    0 AMB  20-2:5574    94 ILE  QG2         4.00    (#   5574:20  Single Ambig)
 &rst
  ixpk= 5574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1301,1302,1303,1435,1436,1437,
 igr2=1499,1500,1501,
 &end
#
#    0 AMB  20-2:5579    94 ILE  QG2         5.00    (#   5579:20  Single Ambig)
 &rst
  ixpk= 5579, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 278, 279, 281,
 igr2=1499,1500,1501,
 &end
#
#   69 MET  HG+         111 VAL  MGY         5.00    (#   5586:20  Unique         1.99, 4.61 A)
 &rst
  ixpk= 5586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1123,1124,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#    0 AMB  20-2:5588   111 VAL  MGY         3.00    (#   5588:20  Single Ambig)
 &rst
  ixpk= 5588, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1754,1773,1774,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#  102 LEU  HA          105 ALA  MB          3.00    (#   5591:20  Unique         2.27, 3.66 A)
 &rst
  ixpk= 5591, nxpk= 20, iat=1612,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1659,1660,1661,
 &end
#
#  105 ALA  HA          105 ALA  MB          3.00    (#   5592:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 5592, nxpk= 20, iat=1657,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1659,1660,1661,
 &end
#
#  111 VAL  HA          111 VAL  MGY         4.00    (#   5595:20  Unique         2.05, 3.34 A)
 &rst
  ixpk= 5595, nxpk= 20, iat=1752,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   38 SER  HB-         111 VAL  MGY         5.00    (#   5596:20  Unique         1.93, 4.29 A)
 &rst
  ixpk= 5596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 628, 629,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   38 SER  HB+         111 VAL  MGY         5.00    (#   5597:20  Unique         1.93, 4.29 A)
 &rst
  ixpk= 5597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 628, 629,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   71 ARG  HD-         111 VAL  MGY         5.00    (#   5598:20  Unique         2.17, 5.30 A)
 &rst
  ixpk= 5598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1157,1158,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#    0 AMB  20-2:5599   111 VAL  MGY         3.00    (#   5599:20  Single Ambig)
 &rst
  ixpk= 5599, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=1120,1121,1127,1128,1129,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   71 ARG  HG-         111 VAL  MGY         5.00    (#   5600:20  Unique         3.67, 6.58 A)
 &rst
  ixpk= 5600, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1154,1155,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#    0 AMB  20-2:5601   105 ALA  MB          6.00    (#   5601:20  Single Ambig)
 &rst
  ixpk= 5601, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1647,1648,1669,1670,
 igr2=1659,1660,1661,
 &end
#
#    8 PRO  HD-         105 ALA  MB          6.00    (#   5602:20  Unique         4.36, 5.68 A)
 &rst
  ixpk= 5602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 135, 136,
 igr2=1659,1660,1661,
 &end
#
#    8 PRO  HB-         105 ALA  MB          4.00    (#   5603:20  Unique         1.94, 3.34 A)
 &rst
  ixpk= 5603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 141, 142,
 igr2=1659,1660,1661,
 &end
#
#    8 PRO  HG+         105 ALA  MB          4.00    (#   5604:20  Unique         2.17, 3.64 A)
 &rst
  ixpk= 5604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 138, 139,
 igr2=1659,1660,1661,
 &end
#
#  102 LEU  MDX         105 ALA  MB          4.00    (#   5605:20  Unique         3.62, 7.10 A)
 &rst
  ixpk= 5605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1619,1620,1621,1623,1624,1625,
 igr2=1659,1660,1661,
 &end
#
#    0 AMB  20-2:5606    85 ALA  MB          3.00    (#   5606:20  Single Ambig)
 &rst
  ixpk= 5606, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 283, 284, 285, 287, 288, 289,1506,1507,1508,
 igr2=1369,1370,1371,
 &end
#
#    0 AMB  20-2:5607    85 ALA  MB          4.00    (#   5607:20  Single Ambig)
 &rst
  ixpk= 5607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1435,1436,1437,1301,1302,1303,
 igr2=1369,1370,1371,
 &end
#
#    0 AMB  20-2:5615    85 ALA  MB          3.00    (#   5615:20  Single Ambig)
 &rst
  ixpk= 5615, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1367,1316,
 igr2=1369,1370,1371,
 &end
#
#   90 ILE  QD1          85 ALA  MB          4.00    (#   5616:20  Unique         1.95, 3.81 A)
 &rst
  ixpk= 5616, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1442,1443,1444,
 igr2=1369,1370,1371,
 &end
#
#  140 VAL  MGX         133 MET  ME          6.00    (#   5617:20  Unique         4.53, 7.49 A)
 &rst
  ixpk= 5617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=2221,2222,2223,2225,2226,2227,
 igr2=2090,2091,2092,
 &end
#
#  136 LEU  MDX         133 MET  ME          5.00    (#   5618:20  Unique         2.03, 5.29 A)
 &rst
  ixpk= 5618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=2090,2091,2092,
 &end
#
#   71 ARG  HA           69 MET  ME          6.00    (#   5623:20  Unique         3.75, 5.24 A)
 &rst
  ixpk= 5623, nxpk= 20, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1127,1128,1129,
 &end
#
#  109 GLU  HA           69 MET  ME          5.00    (#   5624:20  Unique         1.98, 3.42 A)
 &rst
  ixpk= 5624, nxpk= 20, iat=1716,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1127,1128,1129,
 &end
#
#   70 PRO  HD-          69 MET  ME          6.00    (#   5625:20  Unique         2.61, 5.44 A)
 &rst
  ixpk= 5625, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1134,1135,
 igr2=1127,1128,1129,
 &end
#
#    0 AMB  20-2:5626    69 MET  ME          6.00    (#   5626:20  Single Ambig)
 &rst
  ixpk= 5626, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1587,1588, 628, 629,
 igr2=1127,1128,1129,
 &end
#
#   71 ARG  HD-          69 MET  ME          5.00    (#   5627:20  Unique         1.99, 5.09 A)
 &rst
  ixpk= 5627, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1157,1158,
 igr2=1127,1128,1129,
 &end
#
#   69 MET  HG+          69 MET  ME          4.00    (#   5628:20  Unique         1.99, 3.39 A)
 &rst
  ixpk= 5628, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1123,1124,
 igr2=1127,1128,1129,
 &end
#
#   69 MET  HG-          69 MET  ME          3.00    (#   5629:20  Unique         1.99, 3.39 A)
 &rst
  ixpk= 5629, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1123,1124,
 igr2=1127,1128,1129,
 &end
#
#   71 ARG  HG-          69 MET  ME          4.00    (#   5630:20  Unique         2.47, 4.60 A)
 &rst
  ixpk= 5630, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1154,1155,
 igr2=1127,1128,1129,
 &end
#
#  103 THR  MG2          69 MET  ME          5.00    (#   5632:20  Unique         3.29, 5.68 A)
 &rst
  ixpk= 5632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1635,1636,1637,
 igr2=1127,1128,1129,
 &end
#
#  111 VAL  MGY          69 MET  ME          5.00    (#   5633:20  Unique         2.33, 5.53 A)
 &rst
  ixpk= 5633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2=1127,1128,1129,
 &end
#
#  111 VAL  MGX          69 MET  ME          4.00    (#   5634:20  Unique         2.33, 5.53 A)
 &rst
  ixpk= 5634, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2=1127,1128,1129,
 &end
#
#   50 GLN  HB-         133 MET  ME          4.00    (#   5637:20  Unique         2.31, 4.47 A)
 &rst
  ixpk= 5637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 805, 806,
 igr2=2090,2091,2092,
 &end
#
#  136 LEU  MDY         133 MET  ME          4.00    (#   5638:20  Unique         2.03, 5.29 A)
 &rst
  ixpk= 5638, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=2090,2091,2092,
 &end
#
#    0 AMB  20-2:5640   133 MET  ME          4.00    (#   5640:20  Single Ambig)
 &rst
  ixpk= 5640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2081, 865,
 igr2=2090,2091,2092,
 &end
#
#    0 AMB  20-2:5641   133 MET  ME          4.00    (#   5641:20  Single Ambig)
 &rst
  ixpk= 5641, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 867, 868, 820,
 igr2=2090,2091,2092,
 &end
#
#  114 TYR  HB+         133 MET  ME          6.00    (#   5643:20  Unique         4.64, 6.57 A)
 &rst
  ixpk= 5643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1794,1795,
 igr2=2090,2091,2092,
 &end
#
#  137 GLU  HB+         133 MET  ME          6.00    (#   5644:20  Unique         2.62, 4.62 A)
 &rst
  ixpk= 5644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2158,2159,
 igr2=2090,2091,2092,
 &end
#
#   50 GLN  HB+         133 MET  ME          4.00    (#   5645:20  Unique         2.31, 4.47 A)
 &rst
  ixpk= 5645, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 805, 806,
 igr2=2090,2091,2092,
 &end
#
#    0 AMB  20-2:5647   133 MET  ME          4.00    (#   5647:20  Single Ambig)
 &rst
  ixpk= 5647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=2142,2139,2140,
 igr2=2090,2091,2092,
 &end
#
#   51 VAL  MGY         133 MET  ME          5.00    (#   5648:20  Unique         2.17, 5.82 A)
 &rst
  ixpk= 5648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 824, 825, 826, 828, 829, 830,
 igr2=2090,2091,2092,
 &end
#
#   86 ALA  HA           86 ALA  MB          3.00    (#   5661:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 5661, nxpk= 20, iat=1377,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1379,1380,1381,
 &end
#
#   87 GLU  HA           86 ALA  MB          4.00    (#   5662:20  Unique         4.20, 4.97 A)
 &rst
  ixpk= 5662, nxpk= 20, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1379,1380,1381,
 &end
#
#    0 AMB  20-2:5663    86 ALA  MB          5.00    (#   5663:20  Single Ambig)
 &rst
  ixpk= 5663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1392,1393,1340,1341,
 igr2=1379,1380,1381,
 &end
#
#    0 AMB  20-2:5664    86 ALA  MB          4.00    (#   5664:20  Single Ambig)
 &rst
  ixpk= 5664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1389,1390,1340,1341,
 igr2=1379,1380,1381,
 &end
#
#    0 AMB  20-2:5665    86 ALA  MB          5.00    (#   5665:20  Single Ambig)
 &rst
  ixpk= 5665, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1389,1390,1318,1319,
 igr2=1379,1380,1381,
 &end
#
#   50 GLN  HA          133 MET  ME          6.00    (#   5669:20  Unique         3.68, 5.64 A)
 &rst
  ixpk= 5669, nxpk= 20, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=2090,2091,2092,
 &end
#
#  132 GLY  HA+         133 MET  ME          6.00    (#   5670:20  Unique         5.63, 7.35 A)
 &rst
  ixpk= 5670, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2074,2075,
 igr2=2090,2091,2092,
 &end
#
#    5 GLN  HB+           1 MET  ME          5.00    (#   5681:20  Unique         2.01, 4.30 A)
 &rst
  ixpk= 5681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  90,  91,
 igr2=  15,  16,  17,
 &end
#
#    8 PRO  HG-           1 MET  ME          3.00    (#   5682:20  Unique         1.98, 3.78 A)
 &rst
  ixpk= 5682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 138, 139,
 igr2=  15,  16,  17,
 &end
#
#   83 GLU  HG-          86 ALA  MB          6.00    (#   5683:20  Unique         3.14, 5.31 A)
 &rst
  ixpk= 5683, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1343,1344,
 igr2=1379,1380,1381,
 &end
#
#  106 PHE  HA            1 MET  ME          5.00    (#   5695:20  Unique         1.99, 5.09 A)
 &rst
  ixpk= 5695, nxpk= 20, iat=1667,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  20-2:5696     1 MET  ME          6.00    (#   5696:20  Single Ambig)
 &rst
  ixpk= 5696, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 119,1942,
 igr2=  15,  16,  17,
 &end
#
#    8 PRO  HD+           1 MET  ME          4.00    (#   5697:20  Unique         2.59, 4.48 A)
 &rst
  ixpk= 5697, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 135, 136,
 igr2=  15,  16,  17,
 &end
#
#    8 PRO  HD-           1 MET  ME          4.00    (#   5698:20  Unique         2.59, 4.48 A)
 &rst
  ixpk= 5698, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 135, 136,
 igr2=  15,  16,  17,
 &end
#
#    1 MET  HG+           1 MET  ME          3.00    (#   5699:20  Unique         2.03, 3.51 A)
 &rst
  ixpk= 5699, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  11,  12,
 igr2=  15,  16,  17,
 &end
#
#  123 LEU  HB-           1 MET  ME          5.00    (#   5700:20  Unique         3.36, 6.29 A)
 &rst
  ixpk= 5700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1944,1945,
 igr2=  15,  16,  17,
 &end
#
#    1 MET  HB+           1 MET  ME          3.00    (#   5701:20  Unique         2.22, 3.94 A)
 &rst
  ixpk= 5701, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=   8,   9,
 igr2=  15,  16,  17,
 &end
#
#  123 LEU  MDX           1 MET  ME          4.00    (#   5702:20  Unique         1.96, 5.80 A)
 &rst
  ixpk= 5702, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=  15,  16,  17,
 &end
#
#  123 LEU  MDY           1 MET  ME          4.00    (#   5703:20  Unique         1.96, 5.80 A)
 &rst
  ixpk= 5703, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  20-2:5704     1 MET  ME          6.00    (#   5704:20  Single Ambig)
 &rst
  ixpk= 5704, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  88,  23,
 igr2=  15,  16,  17,
 &end
#
#  106 PHE  HB-           1 MET  ME          5.00    (#   5705:20  Unique         2.42, 4.41 A)
 &rst
  ixpk= 5705, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1669,1670,
 igr2=  15,  16,  17,
 &end
#
#  102 LEU  HB-           1 MET  ME          5.00    (#   5706:20  Unique         2.93, 5.83 A)
 &rst
  ixpk= 5706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1614,1615,
 igr2=  15,  16,  17,
 &end
#
#   34 ILE  HB           34 ILE  QG2         4.00    (#   5720:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 5720, nxpk= 20, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 550, 551, 552,
 &end
#
#   34 ILE  HG1+         34 ILE  QG2         4.00    (#   5721:20  Unique         2.00, 3.29 A)
 &rst
  ixpk= 5721, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 554, 555,
 igr2= 550, 551, 552,
 &end
#
#   34 ILE  HG1-         34 ILE  QG2         3.00    (#   5722:20  Unique         2.00, 3.29 A)
 &rst
  ixpk= 5722, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 554, 555,
 igr2= 550, 551, 552,
 &end
#
#    0 AMB  20-2:5723     0 AMB  20-1:5723   3.00    (#   5723:20  Double Ambig)
 &rst
  ixpk= 5723, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1089,1090,1091,1093,1094,1095,1305,1306,
 igr2= 550, 551, 552,1301,1302,1303,
 &end
#
#    0 AMB  20-2:5724     0 AMB  20-1:5724   3.00    (#   5724:20  Double Ambig)
 &rst
  ixpk= 5724, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 557, 558, 559,1538,1539,1540,1542,1543,1544,1499,
      1500,1501, 172, 173, 174, 176, 177, 178,
 igr2= 550, 551, 552,1301,1302,1303,
 &end
#
#   81 ILE  HA           81 ILE  QG2         5.00    (#   5726:20  Unique         2.38, 3.25 A)
 &rst
  ixpk= 5726, nxpk= 20, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1301,1302,1303,
 &end
#
#    0 AMB  20-2:5734     0 AMB  20-1:5734   6.00    (#   5734:20  Double Ambig)
 &rst
  ixpk= 5734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1075,1355,
 igr2= 550, 551, 552,1301,1302,1303,
 &end
#
#    0 AMB  20-2:5735     0 AMB  20-1:5735   6.00    (#   5735:20  Double Ambig)
 &rst
  ixpk= 5735, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1075,1355,1059,
 igr2= 550, 551, 552,1301,1302,1303,
 &end
#
#   78 PRO  HA           81 ILE  QG2         5.00    (#   5736:20  Unique         3.95, 4.90 A)
 &rst
  ixpk= 5736, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1301,1302,1303,
 &end
#
#    0 AMB  20-2:5737     0 AMB  20-1:5737   3.00    (#   5737:20  Double Ambig)
 &rst
  ixpk= 5737, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 281,1299, 278, 279,
 igr2=1301,1302,1303,1435,1436,1437,
 &end
#
#    0 AMB  20-2:5738    81 ILE  QG2         3.00    (#   5738:20  Single Ambig)
 &rst
  ixpk= 5738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 283, 284, 285, 287, 288, 289,1538,1539,1540,1542,
      1543,1544,
 igr2=1301,1302,1303,
 &end
#
#  120 THR  HB           27 ILE  QG2         5.00    (#   5754:20  Unique         4.10, 5.98 A)
 &rst
  ixpk= 5754, nxpk= 20, iat=1906,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 440, 441, 442,
 &end
#
#  120 THR  HA           27 ILE  QG2         4.00    (#   5755:20  Unique         1.96, 3.96 A)
 &rst
  ixpk= 5755, nxpk= 20, iat=1904,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 440, 441, 442,
 &end
#
#    0 AMB  20-2:5756    27 ILE  QG2         3.00    (#   5756:20  Single Ambig)
 &rst
  ixpk= 5756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 436,1918,1919,
 igr2= 440, 441, 442,
 &end
#
#   32 THR  HB           27 ILE  QG2         5.00    (#   5757:20  Unique         2.79, 4.32 A)
 &rst
  ixpk= 5757, nxpk= 20, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 440, 441, 442,
 &end
#
#    0 AMB  20-2:5758    27 ILE  QG2         4.00    (#   5758:20  Single Ambig)
 &rst
  ixpk= 5758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1918,1919, 455, 456,
 igr2= 440, 441, 442,
 &end
#
#    0 AMB  20-2:5759    27 ILE  QG2         6.00    (#   5759:20  Single Ambig)
 &rst
  ixpk= 5759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1930,1931,1927,1928,
 igr2= 440, 441, 442,
 &end
#
#   27 ILE  HB           27 ILE  QG2         3.00    (#   5760:20  Unique         2.28, 2.64 A)
 &rst
  ixpk= 5760, nxpk= 20, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 440, 441, 442,
 &end
#
#   27 ILE  HG1-         27 ILE  QG2         3.00    (#   5761:20  Unique         2.32, 3.54 A)
 &rst
  ixpk= 5761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 444, 445,
 igr2= 440, 441, 442,
 &end
#
#   27 ILE  HG1+         27 ILE  QG2         3.00    (#   5762:20  Unique         2.32, 3.54 A)
 &rst
  ixpk= 5762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 444, 445,
 igr2= 440, 441, 442,
 &end
#
#   90 ILE  HA           90 ILE  QG2         4.00    (#   5763:20  Unique         2.02, 2.94 A)
 &rst
  ixpk= 5763, nxpk= 20, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1435,1436,1437,
 &end
#
#  139 ARG  HD+         135 MET  ME          6.00    (#   5766:20  Unique         2.70, 5.55 A)
 &rst
  ixpk= 5766, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2201,2202,
 igr2=2129,2130,2131,
 &end
#
#    0 AMB  20-2:5768   135 MET  ME          5.00    (#   5768:20  Single Ambig)
 &rst
  ixpk= 5768, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2120,2056,2057,
 igr2=2129,2130,2131,
 &end
#
#  139 ARG  HD-         135 MET  ME          5.00    (#   5769:20  Unique         2.70, 5.55 A)
 &rst
  ixpk= 5769, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2201,2202,
 igr2=2129,2130,2131,
 &end
#
#  135 MET  HB+         135 MET  ME          3.00    (#   5770:20  Unique         1.95, 3.55 A)
 &rst
  ixpk= 5770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2122,2123,
 igr2=2129,2130,2131,
 &end
#
#  136 LEU  HB-         135 MET  ME          4.00    (#   5773:20  Unique         2.21, 4.36 A)
 &rst
  ixpk= 5773, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2139,2140,
 igr2=2129,2130,2131,
 &end
#
#  138 LYS  HD+         135 MET  ME          6.00    (#   5774:20  Unique         4.70, 7.55 A)
 &rst
  ixpk= 5774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2179,2180,
 igr2=2129,2130,2131,
 &end
#
#  136 LEU  HB+         135 MET  ME          6.00    (#   5775:20  Unique         2.21, 4.36 A)
 &rst
  ixpk= 5775, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2139,2140,
 igr2=2129,2130,2131,
 &end
#
#    0 AMB  20-2:5780   135 MET  ME          5.00    (#   5780:20  Single Ambig)
 &rst
  ixpk= 5780, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2193,2056,2057,
 igr2=2129,2130,2131,
 &end
#
#   94 ILE  HB           94 ILE  QD1         4.00    (#   5785:20  Unique         2.28, 3.53 A)
 &rst
  ixpk= 5785, nxpk= 20, iat=1497,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1506,1507,1508,
 &end
#
#   90 ILE  QG2          94 ILE  QD1         4.00    (#   5786:20  Unique         1.97, 3.53 A)
 &rst
  ixpk= 5786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1435,1436,1437,
 igr2=1506,1507,1508,
 &end
#
#   94 ILE  HG1+         94 ILE  QD1         4.00    (#   5787:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 5787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1503,1504,
 igr2=1506,1507,1508,
 &end
#
#   85 ALA  MB           94 ILE  QD1         4.00    (#   5788:20  Unique         2.41, 4.55 A)
 &rst
  ixpk= 5788, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1369,1370,1371,
 igr2=1506,1507,1508,
 &end
#
#   66 ALA  MB           94 ILE  QD1         5.00    (#   5789:20  Unique         1.95, 3.76 A)
 &rst
  ixpk= 5789, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1077,1078,1079,
 igr2=1506,1507,1508,
 &end
#
#    0 AMB  20-2:5790    94 ILE  QD1         5.00    (#   5790:20  Single Ambig)
 &rst
  ixpk= 5790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1431,1367,1316,
 igr2=1506,1507,1508,
 &end
#
#   92 GLN  HG+          94 ILE  QD1         5.00    (#   5791:20  Unique         2.30, 4.33 A)
 &rst
  ixpk= 5791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1469,1470,
 igr2=1506,1507,1508,
 &end
#
#   90 ILE  QD1          94 ILE  QD1         6.00    (#   5793:20  Unique         2.06, 4.17 A)
 &rst
  ixpk= 5793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1442,1443,1444,
 igr2=1506,1507,1508,
 &end
#
#   51 VAL  HB           94 ILE  QD1         6.00    (#   5794:20  Unique         6.34, 7.47 A)
 &rst
  ixpk= 5794, nxpk= 20, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1506,1507,1508,
 &end
#
#  117 PHE  HB+           7 MET  ME          5.00    (#   5797:20  Unique         2.02, 3.15 A)
 &rst
  ixpk= 5797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1852,1853,
 igr2= 128, 129, 130,
 &end
#
#   80 LYS  HB-          39 ILE  QD1         4.00    (#   5801:20  Unique         2.42, 3.69 A)
 &rst
  ixpk= 5801, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1277,1278,
 igr2= 648, 649, 650,
 &end
#
#   48 MET  HA           48 MET  ME          6.00    (#   5811:20  Unique         1.89, 2.54 A)
 &rst
  ixpk= 5811, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 781, 782, 783,
 &end
#
#    0 AMB  20-2:5812    48 MET  ME          5.00    (#   5812:20  Single Ambig)
 &rst
  ixpk= 5812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 716, 717,1431,
 igr2= 781, 782, 783,
 &end
#
#   37 TRP  HB-          48 MET  ME          5.00    (#   5813:20  Unique         3.46, 5.02 A)
 &rst
  ixpk= 5813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 604, 605,
 igr2= 781, 782, 783,
 &end
#
#    0 AMB  20-2:5814    48 MET  ME          6.00    (#   5814:20  Single Ambig)
 &rst
  ixpk= 5814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 716, 717, 838, 839,
 igr2= 781, 782, 783,
 &end
#
#   48 MET  HG-          48 MET  ME          4.00    (#   5815:20  Unique         2.07, 3.52 A)
 &rst
  ixpk= 5815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 777, 778,
 igr2= 781, 782, 783,
 &end
#
#   48 MET  HB+          48 MET  ME          4.00    (#   5819:20  Unique         2.73, 4.50 A)
 &rst
  ixpk= 5819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 774, 775,
 igr2= 781, 782, 783,
 &end
#
#   90 ILE  QD1          48 MET  ME          4.00    (#   5820:20  Unique         1.90, 3.64 A)
 &rst
  ixpk= 5820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1442,1443,1444,
 igr2= 781, 782, 783,
 &end
#
#  121 GLY  HA-           7 MET  ME          5.00    (#   5822:20  Unique         1.92, 3.44 A)
 &rst
  ixpk= 5822, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1918,1919,
 igr2= 128, 129, 130,
 &end
#
#   32 THR  HB            7 MET  ME          5.00    (#   5823:20  Unique         1.98, 3.32 A)
 &rst
  ixpk= 5823, nxpk= 20, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 128, 129, 130,
 &end
#
#    0 AMB  20-2:5824     7 MET  ME          6.00    (#   5824:20  Single Ambig)
 &rst
  ixpk= 5824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 119,1942,
 igr2= 128, 129, 130,
 &end
#
#  121 GLY  HA+           7 MET  ME          5.00    (#   5825:20  Unique         1.92, 3.44 A)
 &rst
  ixpk= 5825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1918,1919,
 igr2= 128, 129, 130,
 &end
#
#  117 PHE  HB-           7 MET  ME          5.00    (#   5826:20  Unique         2.02, 3.15 A)
 &rst
  ixpk= 5826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1852,1853,
 igr2= 128, 129, 130,
 &end
#
#    7 MET  HG+           7 MET  ME          5.00    (#   5827:20  Unique         1.99, 3.33 A)
 &rst
  ixpk= 5827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 124, 125,
 igr2= 128, 129, 130,
 &end
#
#    0 AMB  20-2:5828     7 MET  ME          5.00    (#   5828:20  Single Ambig)
 &rst
  ixpk= 5828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 419, 420, 422, 363, 364,
 igr2= 128, 129, 130,
 &end
#
#    0 AMB  20-2:5829     7 MET  ME          4.00    (#   5829:20  Single Ambig)
 &rst
  ixpk= 5829, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 557, 558, 559, 440, 441, 442,
 igr2= 128, 129, 130,
 &end
#
#   26 LEU  MDY           7 MET  ME          5.00    (#   5830:20  Unique         2.88, 5.88 A)
 &rst
  ixpk= 5830, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 424, 425, 426, 428, 429, 430,
 igr2= 128, 129, 130,
 &end
#
#   39 ILE  HA           39 ILE  QD1         5.00    (#   5833:20  Unique         4.32, 4.99 A)
 &rst
  ixpk= 5833, nxpk= 20, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 648, 649, 650,
 &end
#
#   81 ILE  HA           39 ILE  QD1         5.00    (#   5834:20  Unique         3.24, 4.58 A)
 &rst
  ixpk= 5834, nxpk= 20, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 648, 649, 650,
 &end
#
#   80 LYS  HE-          39 ILE  QD1         5.00    (#   5835:20  Unique         2.42, 5.13 A)
 &rst
  ixpk= 5835, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1286,1287,
 igr2= 648, 649, 650,
 &end
#
#   39 ILE  HB           39 ILE  QD1         4.00    (#   5836:20  Unique         2.06, 2.95 A)
 &rst
  ixpk= 5836, nxpk= 20, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 648, 649, 650,
 &end
#
#   80 LYS  HD-          39 ILE  QD1         4.00    (#   5837:20  Unique         2.76, 4.92 A)
 &rst
  ixpk= 5837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1283,1284,
 igr2= 648, 649, 650,
 &end
#
#   80 LYS  HG-          39 ILE  QD1         4.00    (#   5838:20  Unique         2.41, 5.24 A)
 &rst
  ixpk= 5838, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1280,1281,
 igr2= 648, 649, 650,
 &end
#
#   39 ILE  QG2          39 ILE  QD1         3.00    (#   5840:20  Unique         1.99, 3.82 A)
 &rst
  ixpk= 5840, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 641, 642, 643,
 igr2= 648, 649, 650,
 &end
#
#   81 ILE  QG2          39 ILE  QD1         5.00    (#   5842:20  Unique         5.10, 7.06 A)
 &rst
  ixpk= 5842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1301,1302,1303,
 igr2= 648, 649, 650,
 &end
#
#   81 ILE  QD1          39 ILE  QD1         5.00    (#   5843:20  Unique         2.08, 5.39 A)
 &rst
  ixpk= 5843, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1308,1309,1310,
 igr2= 648, 649, 650,
 &end
#
#   81 ILE  HG1-         39 ILE  QD1         6.00    (#   5844:20  Unique         2.03, 4.42 A)
 &rst
  ixpk= 5844, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1305,1306,
 igr2= 648, 649, 650,
 &end
#
#   37 TRP  HB+          48 MET  ME          5.00    (#   5845:20  Unique         3.46, 5.02 A)
 &rst
  ixpk= 5845, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 604, 605,
 igr2= 781, 782, 783,
 &end
#
#   51 VAL  MGY          48 MET  ME          5.00    (#   5846:20  Unique         1.92, 4.81 A)
 &rst
  ixpk= 5846, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 824, 825, 826, 828, 829, 830,
 igr2= 781, 782, 783,
 &end
#
#   78 PRO  HA           81 ILE  QD1         4.00    (#   5849:20  Unique         1.99, 3.41 A)
 &rst
  ixpk= 5849, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1308,1309,1310,
 &end
#
#   81 ILE  HA           81 ILE  QD1         6.00    (#   5850:20  Unique         2.33, 4.30 A)
 &rst
  ixpk= 5850, nxpk= 20, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1308,1309,1310,
 &end
#
#    0 AMB  20-2:5851    81 ILE  QD1         6.00    (#   5851:20  Single Ambig)
 &rst
  ixpk= 5851, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1536,1259,1260,
 igr2=1308,1309,1310,
 &end
#
#   80 LYS  HB-          81 ILE  QD1         6.00    (#   5852:20  Unique         3.07, 5.74 A)
 &rst
  ixpk= 5852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1277,1278,
 igr2=1308,1309,1310,
 &end
#
#   81 ILE  HB           81 ILE  QD1         4.00    (#   5853:20  Unique         2.04, 2.96 A)
 &rst
  ixpk= 5853, nxpk= 20, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1308,1309,1310,
 &end
#
#   81 ILE  HG1+         81 ILE  QD1         4.00    (#   5854:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 5854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1305,1306,
 igr2=1308,1309,1310,
 &end
#
#   96 VAL  MGX          81 ILE  QD1         4.00    (#   5855:20  Unique         1.92, 5.14 A)
 &rst
  ixpk= 5855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1538,1539,1540,1542,1543,1544,
 igr2=1308,1309,1310,
 &end
#
#    0 AMB  20-2:5856    81 ILE  QD1         4.00    (#   5856:20  Single Ambig)
 &rst
  ixpk= 5856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1538,1539,1540,1542,1543,1544, 648, 649, 650,
 igr2=1308,1309,1310,
 &end
#
#   81 ILE  QG2          81 ILE  QD1         3.00    (#   5857:20  Unique         1.98, 4.09 A)
 &rst
  ixpk= 5857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1301,1302,1303,
 igr2=1308,1309,1310,
 &end
#
#   81 ILE  HG1-         81 ILE  QD1         5.00    (#   5858:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 5858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1305,1306,
 igr2=1308,1309,1310,
 &end
#
#  121 GLY  HA-          27 ILE  QD1         4.00    (#   5866:20  Unique         1.99, 3.59 A)
 &rst
  ixpk= 5866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1918,1919,
 igr2= 447, 448, 449,
 &end
#
#  121 GLY  HA+          27 ILE  QD1         5.00    (#   5867:20  Unique         1.99, 3.59 A)
 &rst
  ixpk= 5867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1918,1919,
 igr2= 447, 448, 449,
 &end
#
#    0 AMB  20-2:5868    27 ILE  QD1         3.00    (#   5868:20  Single Ambig)
 &rst
  ixpk= 5868, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 366, 367, 438,
 igr2= 447, 448, 449,
 &end
#
#   24 GLU  HA           27 ILE  QD1         5.00    (#   5871:20  Unique         3.34, 4.53 A)
 &rst
  ixpk= 5871, nxpk= 20, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 447, 448, 449,
 &end
#
#   27 ILE  HG1-         27 ILE  QD1         3.00    (#   5873:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 5873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 444, 445,
 igr2= 447, 448, 449,
 &end
#
#    0 AMB  20-2:5874    27 ILE  QD1         5.00    (#   5874:20  Single Ambig)
 &rst
  ixpk= 5874, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1908,1909,1910, 517, 518, 519,
 igr2= 447, 448, 449,
 &end
#
#   27 ILE  HG1+         27 ILE  QD1         3.00    (#   5875:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 5875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 444, 445,
 igr2= 447, 448, 449,
 &end
#
#    0 AMB  20-2:5884    34 ILE  QD1         5.00    (#   5884:20  Single Ambig)
 &rst
  ixpk= 5884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 170,  15,  16,  17, 121, 122,
 igr2= 557, 558, 559,
 &end
#
#   48 MET  ME           90 ILE  QD1         4.00    (#   5888:20  Unique         1.90, 3.64 A)
 &rst
  ixpk= 5888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 781, 782, 783,
 igr2=1442,1443,1444,
 &end
#
#   90 ILE  HG1+         90 ILE  QD1         5.00    (#   5889:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 5889, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1439,1440,
 igr2=1442,1443,1444,
 &end
#
#   90 ILE  QG2          90 ILE  QD1         4.00    (#   5890:20  Unique         1.95, 3.84 A)
 &rst
  ixpk= 5890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1435,1436,1437,
 igr2=1442,1443,1444,
 &end
#
#   85 ALA  HA           90 ILE  QD1         5.00    (#   5891:20  Unique         1.94, 2.89 A)
 &rst
  ixpk= 5891, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1442,1443,1444,
 &end
#
#   85 ALA  MB           90 ILE  QD1         4.00    (#   5892:20  Unique         1.95, 3.81 A)
 &rst
  ixpk= 5892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1369,1370,1371,
 igr2=1442,1443,1444,
 &end
#
#   48 MET  HG-          90 ILE  QD1         6.00    (#   5893:20  Unique         2.22, 4.57 A)
 &rst
  ixpk= 5893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 777, 778,
 igr2=1442,1443,1444,
 &end
#
#   34 ILE  HG1+         34 ILE  QD1         3.00    (#   5899:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 5899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 554, 555,
 igr2= 557, 558, 559,
 &end
#
#    7 MET  ME           34 ILE  QD1         4.00    (#   5900:20  Unique         2.01, 3.86 A)
 &rst
  ixpk= 5900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 128, 129, 130,
 igr2= 557, 558, 559,
 &end
#
#    0 AMB  20-2:5901    34 ILE  QD1         3.00    (#   5901:20  Single Ambig)
 &rst
  ixpk= 5901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 517, 518, 519, 554, 555,
 igr2= 557, 558, 559,
 &end
#
#   34 ILE  HB           34 ILE  QD1         4.00    (#   5903:20  Unique         1.99, 2.82 A)
 &rst
  ixpk= 5903, nxpk= 20, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 557, 558, 559,
 &end
#
#   10 LEU  MDY          34 ILE  QD1         3.00    (#   5904:20  Unique         1.97, 5.31 A)
 &rst
  ixpk= 5904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 172, 173, 174, 176, 177, 178,
 igr2= 557, 558, 559,
 &end
#
#   34 ILE  QG2          34 ILE  QD1         3.00    (#   5905:20  Unique         2.27, 4.35 A)
 &rst
  ixpk= 5905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 550, 551, 552,
 igr2= 557, 558, 559,
 &end
#
#   32 THR  HA           32 THR  HB          6.00    (#   5907:20  Unique         2.98, 3.03 A)
 &rst
  ixpk= 5907, nxpk= 20, iat= 513, 515, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  117 PHE  HB+          32 THR  HB          6.00    (#   5908:20  Unique         2.11, 2.87 A)
 &rst
  ixpk= 5908, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1852,1853,
 &end
#
#   27 ILE  QD1          32 THR  HB          6.00    (#   5910:20  Unique         5.12, 6.27 A)
 &rst
  ixpk= 5910, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 447, 448, 449,
 &end
#
#   63 ASN  HN           63 ASN  HA          4.00    (#   5911:20  Unique         2.81, 2.86 A)
 &rst
  ixpk= 5911, nxpk= 20, iat=1027,1029, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   64 VAL  HN           63 ASN  HA          3.00    (#   5912:20  Unique         2.25, 2.28 A)
 &rst
  ixpk= 5912, nxpk= 20, iat=1041,1029, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 ASN  HB-          63 ASN  HA          4.00    (#   5913:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 5913, nxpk= 20, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1031,1032,
 &end
#
#   63 ASN  HB+          63 ASN  HA          4.00    (#   5914:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 5914, nxpk= 20, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1031,1032,
 &end
#
#   64 VAL  MGX          63 ASN  HA          4.00    (#   5915:20  Unique         3.27, 5.34 A)
 &rst
  ixpk= 5915, nxpk= 20, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  20-2:5916    63 ASN  HA          4.00    (#   5916:20  Single Ambig)
 &rst
  ixpk= 5916, nxpk= 20, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1017,1018,1019,1021,1022,1023, 424, 425, 426, 428,
       429, 430,
 &end
#
#   64 VAL  MGY          63 ASN  HA          5.00    (#   5917:20  Unique         3.27, 5.34 A)
 &rst
  ixpk= 5917, nxpk= 20, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#  119 LYS  HN          118 ASP  HA          4.00    (#   5919:20  Unique         2.49, 2.59 A)
 &rst
  ixpk= 5919, nxpk= 20, iat=1880,1870, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  118 ASP  HN          118 ASP  HA          4.00    (#   5920:20  Unique         2.62, 2.70 A)
 &rst
  ixpk= 5920, nxpk= 20, iat=1868,1870, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:5921   118 ASP  HA          4.00    (#   5921:20  Single Ambig)
 &rst
  ixpk= 5921, nxpk= 20, iat=  -1,1870, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 504, 505,1966,1967,
 &end
#
#   31 PRO  HB-         118 ASP  HA          4.00    (#   5922:20  Unique         2.06, 3.09 A)
 &rst
  ixpk= 5922, nxpk= 20, iat=  -1,1870, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 504, 505,
 &end
#
#  118 ASP  HB+         118 ASP  HA          4.00    (#   5923:20  Unique         2.30, 2.80 A)
 &rst
  ixpk= 5923, nxpk= 20, iat=  -1,1870, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1872,1873,
 &end
#
#    0 AMB  20-2:5924   118 ASP  HA          4.00    (#   5924:20  Single Ambig)
 &rst
  ixpk= 5924, nxpk= 20, iat=  -1,1870, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#   30 LYS  HA           31 PRO  HD-         3.00    (#   5925:20  Unique         2.03, 2.44 A)
 &rst
  ixpk= 5925, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 498, 499,
 &end
#
#   62 LEU  HA           62 LEU  HB-         5.00    (#   5926:20  Unique         2.20, 2.48 A)
 &rst
  ixpk= 5926, nxpk= 20, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1012,1013,
 &end
#
#   62 LEU  HA           62 LEU  HB+         5.00    (#   5927:20  Unique         2.20, 2.48 A)
 &rst
  ixpk= 5927, nxpk= 20, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1012,1013,
 &end
#
#   28 GLY  HN           28 GLY  HA-         4.00    (#   5928:20  Unique         2.59, 2.79 A)
 &rst
  ixpk= 5928, nxpk= 20, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 455, 456,
 &end
#
#  123 LEU  MDY           3 LEU  HA          5.00    (#   5930:20  Unique         1.93, 4.06 A)
 &rst
  ixpk= 5930, nxpk= 20, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#    2 LYS  HA            3 LEU  HG          4.00    (#   5931:20  Unique         2.96, 3.58 A)
 &rst
  ixpk= 5931, nxpk= 20, iat=  23,  50, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  123 LEU  MDY           3 LEU  MDY         4.00    (#   5933:20  Unique         1.96, 6.45 A)
 &rst
  ixpk= 5933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#  126 PHE  HB-           3 LEU  MDY         6.00    (#   5934:20  Unique         2.74, 6.48 A)
 &rst
  ixpk= 5934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2004,2005,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    4 ARG  HN            4 ARG  HB-         5.00    (#   5935:20  Unique         2.92, 3.76 A)
 &rst
  ixpk= 5935, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  66,  67,
 &end
#
#    4 ARG  HN            4 ARG  HB+         6.00    (#   5936:20  Unique         2.92, 3.76 A)
 &rst
  ixpk= 5936, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  66,  67,
 &end
#
#    5 GLN  HG+           5 GLN  HB+         3.00    (#   5937:20  Unique         2.26, 2.76 A)
 &rst
  ixpk= 5937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  93,  94,
 igr2=  90,  91,
 &end
#
#    5 GLN  HG+           5 GLN  HB-         3.00    (#   5938:20  Unique         2.26, 2.76 A)
 &rst
  ixpk= 5938, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  93,  94,
 igr2=  90,  91,
 &end
#
#    1 MET  HB+           5 GLN  HG+         5.00    (#   5939:20  Unique         2.52, 4.88 A)
 &rst
  ixpk= 5939, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=   8,   9,
 igr2=  93,  94,
 &end
#
#  123 LEU  MDX           5 GLN  HG+         5.00    (#   5940:20  Unique         1.89, 5.52 A)
 &rst
  ixpk= 5940, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=  93,  94,
 &end
#
#    3 LEU  MDX           5 GLN  HG+         5.00    (#   5941:20  Unique         4.38, 7.70 A)
 &rst
  ixpk= 5941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  52,  53,  54,  56,  57,  58,
 igr2=  93,  94,
 &end
#
#    6 PRO  HA            6 PRO  HB+         3.00    (#   5942:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 5942, nxpk= 20, iat= 113,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 110, 111,
 &end
#
#    6 PRO  HA            6 PRO  HB-         3.00    (#   5943:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 5943, nxpk= 20, iat= 113,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 110, 111,
 &end
#
#    0 AMB  20-2:5944     0 AMB  20-1:5944   4.00    (#   5944:20  Double Ambig)
 &rst
  ixpk= 5944, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 104, 105, 885,
 igr2= 110, 111, 923, 924,
 &end
#
#    1 MET  HA            1 MET  HB-         4.00    (#   5945:20  Unique         2.38, 2.72 A)
 &rst
  ixpk= 5945, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=   8,   9,
 &end
#
#    8 PRO  HD+           8 PRO  HA          6.00    (#   5946:20  Unique         3.79, 3.88 A)
 &rst
  ixpk= 5946, nxpk= 20, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 135, 136,
 &end
#
#   11 THR  HB           11 THR  HA          4.00    (#   5948:20  Unique         2.37, 2.44 A)
 &rst
  ixpk= 5948, nxpk= 20, iat= 186, 184, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 THR  MG2          11 THR  HA          5.00    (#   5949:20  Unique         3.57, 3.94 A)
 &rst
  ixpk= 5949, nxpk= 20, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 188, 189, 190,
 &end
#
#   12 GLY  HN           11 THR  HA          5.00    (#   5950:20  Unique         2.17, 2.24 A)
 &rst
  ixpk= 5950, nxpk= 20, iat= 196, 184, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 LEU  HA           17 LEU  HB+         4.00    (#   5956:20  Unique         2.24, 2.78 A)
 &rst
  ixpk= 5956, nxpk= 20, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 278, 279,
 &end
#
#   17 LEU  HA           17 LEU  HB-         5.00    (#   5957:20  Unique         2.24, 2.78 A)
 &rst
  ixpk= 5957, nxpk= 20, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 278, 279,
 &end
#
#   18 ASN  HN           17 LEU  HB-         6.00    (#   5958:20  Unique         3.04, 3.95 A)
 &rst
  ixpk= 5958, nxpk= 20, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 278, 279,
 &end
#
#   17 LEU  HN           17 LEU  HB-         6.00    (#   5959:20  Unique         2.38, 3.06 A)
 &rst
  ixpk= 5959, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 278, 279,
 &end
#
#   17 LEU  HN           17 LEU  HB+         6.00    (#   5960:20  Unique         2.38, 3.06 A)
 &rst
  ixpk= 5960, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 278, 279,
 &end
#
#  144 LEU  MDX         144 LEU  HG          3.00    (#   5962:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 5962, nxpk= 20, iat=  -1,2292, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#   18 ASN  HN           18 ASN  HB+         5.00    (#   5965:20  Unique         3.21, 3.74 A)
 &rst
  ixpk= 5965, nxpk= 20, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 297, 298,
 &end
#
#   18 ASN  HN           18 ASN  HB-         6.00    (#   5966:20  Unique         3.21, 3.74 A)
 &rst
  ixpk= 5966, nxpk= 20, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 297, 298,
 &end
#
#   19 GLY  HN           18 ASN  HB+         6.00    (#   5968:20  Unique         2.73, 3.53 A)
 &rst
  ixpk= 5968, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 297, 298,
 &end
#
#   19 GLY  HN           18 ASN  HB-         6.00    (#   5969:20  Unique         2.73, 3.53 A)
 &rst
  ixpk= 5969, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 297, 298,
 &end
#
#   94 ILE  HN           18 ASN  HB+         5.00    (#   5970:20  Unique         2.02, 3.53 A)
 &rst
  ixpk= 5970, nxpk= 20, iat=1493,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 297, 298,
 &end
#
#   94 ILE  HN           18 ASN  HB-         5.00    (#   5971:20  Unique         2.02, 3.53 A)
 &rst
  ixpk= 5971, nxpk= 20, iat=1493,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 297, 298,
 &end
#
#    0 AMB  20-2:5973    20 GLU  HA          6.00    (#   5973:20  Single Ambig)
 &rst
  ixpk= 5973, nxpk= 20, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1497,1061,
 &end
#
#   21 VAL  HN           20 GLU  HA          3.00    (#   5974:20  Unique         2.22, 2.49 A)
 &rst
  ixpk= 5974, nxpk= 20, iat= 329, 316, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   21 VAL  HN           21 VAL  HA          4.00    (#   5976:20  Unique         2.80, 2.89 A)
 &rst
  ixpk= 5976, nxpk= 20, iat= 329, 331, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:5977    21 VAL  HA          6.00    (#   5977:20  Single Ambig)
 &rst
  ixpk= 5977, nxpk= 20, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 405, 406, 390, 391,
 &end
#
#   25 GLN  HB+          21 VAL  HA          6.00    (#   5978:20  Unique         2.73, 3.89 A)
 &rst
  ixpk= 5978, nxpk= 20, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 402, 403,
 &end
#
#   21 VAL  HN           21 VAL  MGY         4.00    (#   5979:20  Unique         2.17, 3.96 A)
 &rst
  ixpk= 5979, nxpk= 20, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   26 LEU  HA           21 VAL  MGY         6.00    (#   5980:20  Unique         2.10, 4.63 A)
 &rst
  ixpk= 5980, nxpk= 20, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   21 VAL  HN           21 VAL  MGX         5.00    (#   5981:20  Unique         2.17, 3.96 A)
 &rst
  ixpk= 5981, nxpk= 20, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   22 THR  MG2          22 THR  HB          4.00    (#   5984:20  Unique         2.32, 2.69 A)
 &rst
  ixpk= 5984, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 351, 352, 353,
 &end
#
#   25 GLN  HN           22 THR  HB          5.00    (#   5986:20  Unique         2.75, 3.33 A)
 &rst
  ixpk= 5986, nxpk= 20, iat= 398, 349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   24 GLU  HN           22 THR  HB          5.00    (#   5987:20  Unique         2.32, 2.57 A)
 &rst
  ixpk= 5987, nxpk= 20, iat= 383, 349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   23 ARG  HN           22 THR  HB          5.00    (#   5988:20  Unique         2.77, 3.04 A)
 &rst
  ixpk= 5988, nxpk= 20, iat= 359, 349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GLN  HE2+         22 THR  MG2         5.00    (#   5990:20  Unique         4.93, 6.41 A)
 &rst
  ixpk= 5990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 410, 411,
 igr2= 351, 352, 353,
 &end
#
#   24 GLU  HN           22 THR  MG2         4.00    (#   5991:20  Unique         3.62, 4.80 A)
 &rst
  ixpk= 5991, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 351, 352, 353,
 &end
#
#   85 ALA  MB           82 LYS  HA          3.00    (#   5992:20  Unique         3.01, 4.20 A)
 &rst
  ixpk= 5992, nxpk= 20, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1369,1370,1371,
 &end
#
#   23 ARG  HA           23 ARG  HB+         3.00    (#   5993:20  Unique         2.34, 2.51 A)
 &rst
  ixpk= 5993, nxpk= 20, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 363, 364,
 &end
#
#   24 GLU  HB-          24 GLU  HA          3.00    (#   5994:20  Unique         2.32, 2.47 A)
 &rst
  ixpk= 5994, nxpk= 20, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 387, 388,
 &end
#
#   24 GLU  HA           24 GLU  HB-         3.00    (#   5995:20  Unique         2.32, 2.47 A)
 &rst
  ixpk= 5995, nxpk= 20, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 387, 388,
 &end
#
#   27 ILE  QD1          24 GLU  HB-         5.00    (#   5996:20  Unique         5.34, 6.78 A)
 &rst
  ixpk= 5996, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 447, 448, 449,
 igr2= 387, 388,
 &end
#
#   24 GLU  HB+          24 GLU  HG-         3.00    (#   5997:20  Unique         2.29, 2.77 A)
 &rst
  ixpk= 5997, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 387, 388,
 igr2= 390, 391,
 &end
#
#   24 GLU  HB+          24 GLU  HG+         3.00    (#   5998:20  Unique         2.29, 2.77 A)
 &rst
  ixpk= 5998, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 387, 388,
 igr2= 390, 391,
 &end
#
#    0 AMB  20-2:5999    24 GLU  HG-         3.00    (#   5999:20  Single Ambig)
 &rst
  ixpk= 5999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 387, 388, 402, 403,
 igr2= 390, 391,
 &end
#
#    0 AMB  20-2:6000     0 AMB  20-1:6000   3.00    (#   6000:20  Double Ambig)
 &rst
  ixpk= 6000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 387, 388, 402, 403,
 igr2= 390, 391, 390, 391,
 &end
#
#   21 VAL  MGX          24 GLU  HG-         6.00    (#   6001:20  Unique         4.53, 7.30 A)
 &rst
  ixpk= 6001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 335, 336, 337, 339, 340, 341,
 igr2= 390, 391,
 &end
#
#   21 VAL  MGX          24 GLU  HG+         5.00    (#   6002:20  Unique         4.53, 7.30 A)
 &rst
  ixpk= 6002, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 335, 336, 337, 339, 340, 341,
 igr2= 390, 391,
 &end
#
#   25 GLN  HN           24 GLU  HG-         5.00    (#   6005:20  Unique         1.86, 2.21 A)
 &rst
  ixpk= 6005, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 390, 391,
 &end
#
#   25 GLN  HB+          25 GLN  HA          3.00    (#   6006:20  Unique         2.54, 2.83 A)
 &rst
  ixpk= 6006, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 402, 403,
 &end
#
#    9 GLU  HA            9 GLU  HB+         4.00    (#   6007:20  Unique         2.34, 2.63 A)
 &rst
  ixpk= 6007, nxpk= 20, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 152, 153,
 &end
#
#  118 ASP  HB-         118 ASP  HA          4.00    (#   6008:20  Unique         2.30, 2.80 A)
 &rst
  ixpk= 6008, nxpk= 20, iat=  -1,1870, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1872,1873,
 &end
#
#    0 AMB  20-2:6009     0 AMB  20-1:6009   4.00    (#   6009:20  Double Ambig)
 &rst
  ixpk= 6009, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1548, 293,
 igr2=1538,1539,1540,1542,1543,1544, 283, 284, 285, 287,
       288, 289,
 &end
#
#   17 LEU  HA           17 LEU  MDY         3.00    (#   6010:20  Unique         1.98, 3.36 A)
 &rst
  ixpk= 6010, nxpk= 20, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#    0 AMB  20-2:6012     0 AMB  20-1:6012   4.00    (#   6012:20  Double Ambig)
 &rst
  ixpk= 6012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 477, 329,
 igr2= 479, 480, 333,
 &end
#
#   27 ILE  QG2          27 ILE  HB          3.00    (#   6014:20  Unique         2.28, 2.64 A)
 &rst
  ixpk= 6014, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 440, 441, 442,
 &end
#
#   27 ILE  HG1+         27 ILE  HB          4.00    (#   6015:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 6015, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 444, 445,
 &end
#
#   29 GLU  HN           29 GLU  HG+         5.00    (#   6017:20  Unique         2.66, 4.30 A)
 &rst
  ixpk= 6017, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 467, 468,
 &end
#
#   30 LYS  HN           29 GLU  HG-         5.00    (#   6018:20  Unique         2.01, 3.98 A)
 &rst
  ixpk= 6018, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 467, 468,
 &end
#
#   31 PRO  HD+          30 LYS  HA          3.00    (#   6019:20  Unique         2.03, 2.44 A)
 &rst
  ixpk= 6019, nxpk= 20, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 498, 499,
 &end
#
#   31 PRO  HD-          30 LYS  HA          4.00    (#   6020:20  Unique         2.03, 2.44 A)
 &rst
  ixpk= 6020, nxpk= 20, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 498, 499,
 &end
#
#   30 LYS  HB+          30 LYS  HA          3.00    (#   6021:20  Unique         2.36, 2.73 A)
 &rst
  ixpk= 6021, nxpk= 20, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 479, 480,
 &end
#
#    0 AMB  20-2:6022    30 LYS  HA          4.00    (#   6022:20  Single Ambig)
 &rst
  ixpk= 6022, nxpk= 20, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 479, 480,1884,1885,
 &end
#
#    0 AMB  20-2:6023    30 LYS  HA          4.00    (#   6023:20  Single Ambig)
 &rst
  ixpk= 6023, nxpk= 20, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 482, 483,1884,1885, 485, 486,
 &end
#
#  119 LYS  HN           30 LYS  HA          5.00    (#   6025:20  Unique         5.01, 5.11 A)
 &rst
  ixpk= 6025, nxpk= 20, iat=1880, 477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LYS  HN           30 LYS  HB+         5.00    (#   6026:20  Unique         2.40, 3.13 A)
 &rst
  ixpk= 6026, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 479, 480,
 &end
#
#   59 GLN  HE2-         59 GLN  HG-         4.00    (#   6027:20  Unique         2.11, 3.38 A)
 &rst
  ixpk= 6027, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 974, 975,
 igr2= 969, 970,
 &end
#
#    0 AMB  20-2:6029    35 HIS  HA          6.00    (#   6029:20  Single Ambig)
 &rst
  ixpk= 6029, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1794,1795, 584, 585,
 &end
#
#   33 LEU  MDY          35 HIS  HA          6.00    (#   6030:20  Unique         3.83, 6.06 A)
 &rst
  ixpk= 6030, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  MDX          35 HIS  HA          6.00    (#   6031:20  Unique         3.83, 6.06 A)
 &rst
  ixpk= 6031, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#   34 ILE  QG2          35 HIS  HA          6.00    (#   6032:20  Unique         3.88, 5.02 A)
 &rst
  ixpk= 6032, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 550, 551, 552,
 &end
#
#    0 AMB  20-2:6033    35 HIS  HA          5.00    (#   6033:20  Single Ambig)
 &rst
  ixpk= 6033, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 582, 546,
 &end
#
#  113 ALA  HN           35 HIS  HA          6.00    (#   6034:20  Unique         4.11, 4.28 A)
 &rst
  ixpk= 6034, nxpk= 20, iat=1780, 565, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   43 LEU  HN           42 HIS  HB-         6.00    (#   6035:20  Unique         2.07, 3.06 A)
 &rst
  ixpk= 6035, nxpk= 20, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 680, 681,
 &end
#
#   43 LEU  HN           42 HIS  HB+         6.00    (#   6036:20  Unique         2.07, 3.06 A)
 &rst
  ixpk= 6036, nxpk= 20, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 680, 681,
 &end
#
#    0 AMB  20-2:6037    43 LEU  HB-         4.00    (#   6037:20  Single Ambig)
 &rst
  ixpk= 6037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 695,2074,2075,
 igr2= 697, 698,
 &end
#
#   44 CYS  HN           43 LEU  HB-         6.00    (#   6038:20  Unique         2.59, 3.56 A)
 &rst
  ixpk= 6038, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 697, 698,
 &end
#
#   44 CYS  HN           43 LEU  HB+         6.00    (#   6039:20  Unique         2.59, 3.56 A)
 &rst
  ixpk= 6039, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 697, 698,
 &end
#
#   43 LEU  HB+          44 CYS  HA          6.00    (#   6040:20  Unique         4.22, 4.50 A)
 &rst
  ixpk= 6040, nxpk= 20, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 697, 698,
 &end
#
#   37 TRP  HB-          44 CYS  HA          6.00    (#   6041:20  Unique         2.86, 3.50 A)
 &rst
  ixpk= 6041, nxpk= 20, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 604, 605,
 &end
#
#   44 CYS  HN           44 CYS  HB-         6.00    (#   6043:20  Unique         2.13, 2.69 A)
 &rst
  ixpk= 6043, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 716, 717,
 &end
#
#   44 CYS  HN           44 CYS  HB+         5.00    (#   6044:20  Unique         2.13, 2.69 A)
 &rst
  ixpk= 6044, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 716, 717,
 &end
#
#   44 CYS  HA           44 CYS  HB-         6.00    (#   6045:20  Unique         2.27, 2.65 A)
 &rst
  ixpk= 6045, nxpk= 20, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 716, 717,
 &end
#
#   41 CYS  HB+          44 CYS  HB-         6.00    (#   6046:20  Unique         2.05, 2.76 A)
 &rst
  ixpk= 6046, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 669, 670,
 igr2= 716, 717,
 &end
#
#    0 AMB  20-2:6047     0 AMB  20-1:6047   6.00    (#   6047:20  Double Ambig)
 &rst
  ixpk= 6047, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 604, 605, 669, 670,
 igr2= 716, 717, 716, 717,
 &end
#
#   49 PRO  HD+          49 PRO  HA          6.00    (#   6048:20  Unique         3.79, 3.88 A)
 &rst
  ixpk= 6048, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 788, 789,
 &end
#
#   52 ASN  HA           52 ASN  HB+         4.00    (#   6049:20  Unique         2.28, 2.56 A)
 &rst
  ixpk= 6049, nxpk= 20, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 838, 839,
 &end
#
#   66 ALA  MB           94 ILE  HA          4.00    (#   6050:20  Unique         2.00, 3.63 A)
 &rst
  ixpk= 6050, nxpk= 20, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1077,1078,1079,
 &end
#
#   55 ARG  HE           55 ARG  HB-         6.00    (#   6051:20  Unique         1.93, 3.54 A)
 &rst
  ixpk= 6051, nxpk= 20, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 887, 888,
 &end
#
#   58 TYR  HA           58 TYR  HB-         5.00    (#   6053:20  Unique         2.33, 2.71 A)
 &rst
  ixpk= 6053, nxpk= 20, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 945, 946,
 &end
#
#   58 TYR  HA           58 TYR  HB+         5.00    (#   6054:20  Unique         2.33, 2.71 A)
 &rst
  ixpk= 6054, nxpk= 20, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 945, 946,
 &end
#
#   58 TYR  HN           58 TYR  HB-         4.00    (#   6055:20  Unique         2.19, 3.24 A)
 &rst
  ixpk= 6055, nxpk= 20, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 945, 946,
 &end
#
#    0 AMB  20-2:6056    59 GLN  HA          3.00    (#   6056:20  Single Ambig)
 &rst
  ixpk= 6056, nxpk= 20, iat=  -1, 964, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 966, 967, 969, 970,
 &end
#
#   59 GLN  HG-          59 GLN  HB+         3.00    (#   6057:20  Unique         2.26, 2.68 A)
 &rst
  ixpk= 6057, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 969, 970,
 igr2= 966, 967,
 &end
#
#   60 ASP  HN           60 ASP  HA          3.00    (#   6059:20  Unique         2.75, 2.89 A)
 &rst
  ixpk= 6059, nxpk= 20, iat= 979, 981, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 GLN  HN           60 ASP  HA          4.00    (#   6060:20  Unique         3.07, 3.25 A)
 &rst
  ixpk= 6060, nxpk= 20, iat= 991, 981, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   62 LEU  HN           60 ASP  HA          5.00    (#   6061:20  Unique         4.18, 4.41 A)
 &rst
  ixpk= 6061, nxpk= 20, iat=1008, 981, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:6063    60 ASP  HA          3.00    (#   6063:20  Single Ambig)
 &rst
  ixpk= 6063, nxpk= 20, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 983, 984, 983, 984,
 &end
#
#   61 GLN  HN           62 LEU  HB-         6.00    (#   6064:20  Unique         4.50, 5.18 A)
 &rst
  ixpk= 6064, nxpk= 20, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1012,1013,
 &end
#
#   61 GLN  HN           62 LEU  HB+         6.00    (#   6065:20  Unique         4.50, 5.18 A)
 &rst
  ixpk= 6065, nxpk= 20, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1012,1013,
 &end
#
#   63 ASN  HN           62 LEU  HB-         6.00    (#   6066:20  Unique         2.77, 3.65 A)
 &rst
  ixpk= 6066, nxpk= 20, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1012,1013,
 &end
#
#   63 ASN  HN           62 LEU  HB+         6.00    (#   6067:20  Unique         2.77, 3.65 A)
 &rst
  ixpk= 6067, nxpk= 20, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1012,1013,
 &end
#
#   92 GLN  HN           64 VAL  MGY         5.00    (#   6068:20  Unique         5.47, 6.83 A)
 &rst
  ixpk= 6068, nxpk= 20, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   92 GLN  HG+          65 VAL  HA          4.00    (#   6069:20  Unique         2.01, 4.12 A)
 &rst
  ixpk= 6069, nxpk= 20, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1469,1470,
 &end
#
#  120 THR  HB          120 THR  MG2         3.00    (#   6070:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 6070, nxpk= 20, iat=1906,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1908,1909,1910,
 &end
#
#   67 VAL  MGY          67 VAL  HA          5.00    (#   6071:20  Unique         2.12, 3.16 A)
 &rst
  ixpk= 6071, nxpk= 20, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   67 VAL  MGX          67 VAL  HA          5.00    (#   6072:20  Unique         2.12, 3.16 A)
 &rst
  ixpk= 6072, nxpk= 20, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   68 HIS  HN           67 VAL  HA          4.00    (#   6073:20  Unique         2.18, 2.20 A)
 &rst
  ixpk= 6073, nxpk= 20, iat=1099,1085, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 PHE  HN           67 VAL  HA          4.00    (#   6074:20  Unique         2.14, 2.85 A)
 &rst
  ixpk= 6074, nxpk= 20, iat=1512,1085, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  106 PHE  HB-         106 PHE  HA          4.00    (#   6076:20  Unique         2.44, 2.82 A)
 &rst
  ixpk= 6076, nxpk= 20, iat=  -1,1667, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1669,1670,
 &end
#
#   88 HIS  HB+          88 HIS  HA          3.00    (#   6077:20  Unique         2.30, 2.76 A)
 &rst
  ixpk= 6077, nxpk= 20, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1404,1405,
 &end
#
#   90 ILE  QD1          90 ILE  QG2         4.00    (#   6078:20  Unique         1.95, 3.84 A)
 &rst
  ixpk= 6078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1442,1443,1444,
 igr2=1435,1436,1437,
 &end
#
#   92 GLN  HN           92 GLN  HA          5.00    (#   6079:20  Unique         2.68, 2.75 A)
 &rst
  ixpk= 6079, nxpk= 20, iat=1462,1464, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:6080    92 GLN  HA          3.00    (#   6080:20  Single Ambig)
 &rst
  ixpk= 6080, nxpk= 20, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1480,1481,1480,1481,
 &end
#
#   92 GLN  HB+          92 GLN  HA          3.00    (#   6081:20  Unique         2.30, 2.48 A)
 &rst
  ixpk= 6081, nxpk= 20, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1466,1467,
 &end
#
#   92 GLN  HB-          92 GLN  HA          4.00    (#   6082:20  Unique         2.30, 2.48 A)
 &rst
  ixpk= 6082, nxpk= 20, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1466,1467,
 &end
#
#   92 GLN  HN           92 GLN  HB+         6.00    (#   6083:20  Unique         2.14, 2.93 A)
 &rst
  ixpk= 6083, nxpk= 20, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1466,1467,
 &end
#
#   67 VAL  MGY          95 PHE  HB-         6.00    (#   6084:20  Unique         2.02, 4.91 A)
 &rst
  ixpk= 6084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1089,1090,1091,1093,1094,1095,
 igr2=1516,1517,
 &end
#
#   95 PHE  HN           95 PHE  HB-         5.00    (#   6085:20  Unique         2.11, 2.67 A)
 &rst
  ixpk= 6085, nxpk= 20, iat=1512,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1516,1517,
 &end
#
#  100 HIS  HN          100 HIS  HA          3.00    (#   6086:20  Unique         2.19, 2.28 A)
 &rst
  ixpk= 6086, nxpk= 20, iat=1583,1585, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  102 LEU  HG          102 LEU  HA          4.00    (#   6087:20  Unique         2.20, 3.14 A)
 &rst
  ixpk= 6087, nxpk= 20, iat=1617,1612, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  113 ALA  HN          111 VAL  MGY         4.00    (#   6088:20  Unique         3.75, 5.50 A)
 &rst
  ixpk= 6088, nxpk= 20, iat=1780,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#  126 PHE  HA          115 TYR  HA          4.00    (#   6089:20  Unique         1.96, 2.12 A)
 &rst
  ixpk= 6089, nxpk= 20, iat=2002,1813, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  115 TYR  HN          115 TYR  HA          5.00    (#   6090:20  Unique         2.93, 2.94 A)
 &rst
  ixpk= 6090, nxpk= 20, iat=1811,1813, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  116 VAL  HN          115 TYR  HA          4.00    (#   6091:20  Unique         2.19, 2.27 A)
 &rst
  ixpk= 6091, nxpk= 20, iat=1832,1813, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  115 TYR  HB-         115 TYR  HA          5.00    (#   6092:20  Unique         2.63, 2.86 A)
 &rst
  ixpk= 6092, nxpk= 20, iat=  -1,1813, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1815,1816,
 &end
#
#  115 TYR  HB+         115 TYR  HA          4.00    (#   6093:20  Unique         2.63, 2.86 A)
 &rst
  ixpk= 6093, nxpk= 20, iat=  -1,1813, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1815,1816,
 &end
#
#  126 PHE  HB-         115 TYR  HA          5.00    (#   6094:20  Unique         2.24, 3.38 A)
 &rst
  ixpk= 6094, nxpk= 20, iat=  -1,1813, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2004,2005,
 &end
#
#    0 AMB  20-2:6095   115 TYR  HA          5.00    (#   6095:20  Single Ambig)
 &rst
  ixpk= 6095, nxpk= 20, iat=  -1,1813, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#    0 AMB  20-2:6096   115 TYR  HA          4.00    (#   6096:20  Single Ambig)
 &rst
  ixpk= 6096, nxpk= 20, iat=  -1,1813, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1949,1950,1951,1953,1954,1955,2144,2145,2146,2148,
      2149,2150,
 &end
#
#    0 AMB  20-2:6097   116 VAL  HA          3.00    (#   6097:20  Single Ambig)
 &rst
  ixpk= 6097, nxpk= 20, iat=  -1,1834, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#   33 LEU  MDY         116 VAL  HA          4.00    (#   6098:20  Unique         2.07, 4.62 A)
 &rst
  ixpk= 6098, nxpk= 20, iat=  -1,1834, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#  116 VAL  HB          116 VAL  HA          5.00    (#   6099:20  Unique         2.77, 2.96 A)
 &rst
  ixpk= 6099, nxpk= 20, iat=1836,1834, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 LEU  HA          116 VAL  HA          4.00    (#   6100:20  Unique         2.45, 2.62 A)
 &rst
  ixpk= 6100, nxpk= 20, iat= 527,1834, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  116 VAL  HN          116 VAL  HA          5.00    (#   6101:20  Unique         2.91, 2.93 A)
 &rst
  ixpk= 6101, nxpk= 20, iat=1832,1834, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 PHE  HN          116 VAL  HA          4.00    (#   6102:20  Unique         2.18, 2.25 A)
 &rst
  ixpk= 6102, nxpk= 20, iat=1848,1834, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  123 LEU  HN          122 GLN  HA          3.00    (#   6104:20  Unique         2.20, 2.22 A)
 &rst
  ixpk= 6104, nxpk= 20, iat=1940,1925, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:6105   122 GLN  HA          4.00    (#   6105:20  Single Ambig)
 &rst
  ixpk= 6105, nxpk= 20, iat=  -1,1925, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 117,1868,1916,
 &end
#
#  122 GLN  HN          122 GLN  HA          5.00    (#   6106:20  Unique         2.82, 2.89 A)
 &rst
  ixpk= 6106, nxpk= 20, iat=1923,1925, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:6107   122 GLN  HA          5.00    (#   6107:20  Single Ambig)
 &rst
  ixpk= 6107, nxpk= 20, iat=  -1,1925, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  64,1942,
 &end
#
#    0 AMB  20-2:6108   122 GLN  HA          3.00    (#   6108:20  Single Ambig)
 &rst
  ixpk= 6108, nxpk= 20, iat=  -1,1925, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1930,1931,1927,1928,
 &end
#
#  122 GLN  HG-         122 GLN  HA          4.00    (#   6109:20  Unique         2.08, 3.08 A)
 &rst
  ixpk= 6109, nxpk= 20, iat=  -1,1925, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1930,1931,
 &end
#
#    0 AMB  20-2:6110   122 GLN  HA          4.00    (#   6110:20  Single Ambig)
 &rst
  ixpk= 6110, nxpk= 20, iat=  -1,1925, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 110, 111,1927,1928,
 &end
#
#    0 AMB  20-2:6111   122 GLN  HA          5.00    (#   6111:20  Single Ambig)
 &rst
  ixpk= 6111, nxpk= 20, iat=  -1,1925, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 128, 129, 130,1944,1945,
 &end
#
#  129 GLY  HN          128 ALA  HA          4.00    (#   6112:20  Unique         2.19, 2.24 A)
 &rst
  ixpk= 6112, nxpk= 20, iat=2047,2039, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  128 ALA  MB          128 ALA  HA          3.00    (#   6113:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 6113, nxpk= 20, iat=  -1,2039, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2041,2042,2043,
 &end
#
#  128 ALA  HA          128 ALA  MB          3.00    (#   6114:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 6114, nxpk= 20, iat=2039,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=2041,2042,2043,
 &end
#
#   36 PHE  HB+          36 PHE  HA          5.00    (#   6115:20  Unique         2.47, 2.83 A)
 &rst
  ixpk= 6115, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 584, 585,
 &end
#
#  113 ALA  MB           36 PHE  HA          6.00    (#   6116:20  Unique         4.67, 6.24 A)
 &rst
  ixpk= 6116, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1784,1785,1786,
 &end
#
#   66 ALA  MB           36 PHE  HA          6.00    (#   6117:20  Unique         4.32, 5.62 A)
 &rst
  ixpk= 6117, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1077,1078,1079,
 &end
#
#  103 THR  HN          103 THR  HB          6.00    (#   6118:20  Unique         2.09, 2.77 A)
 &rst
  ixpk= 6118, nxpk= 20, iat=1629,1633, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:6119     0 AMB  20-1:6119   3.00    (#   6119:20  Double Ambig)
 &rst
  ixpk= 6119, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1259,1260,1944,1945,
 igr2=1253,1254, 104, 105,
 &end
#
#    0 AMB  20-2:6120     0 AMB  20-1:6120   3.00    (#   6120:20  Double Ambig)
 &rst
  ixpk= 6120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1256,1257, 107, 108, 107, 108,
 igr2=1253,1254, 104, 105, 104, 105,
 &end
#
#    8 PRO  HA            8 PRO  HB-         3.00    (#   6121:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 6121, nxpk= 20, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 141, 142,
 &end
#
#   14 LYS  HB-          98 SER  HB+         6.00    (#   6124:20  Unique         2.55, 4.61 A)
 &rst
  ixpk= 6124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 222, 223,
 igr2=1564,1565,
 &end
#
#  138 LYS  HD+         138 LYS  HA          4.00    (#   6125:20  Unique         2.04, 3.30 A)
 &rst
  ixpk= 6125, nxpk= 20, iat=  -1,2171, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2179,2180,
 &end
#
#   71 ARG  HN           71 ARG  HD-         6.00    (#   6126:20  Unique         3.11, 4.87 A)
 &rst
  ixpk= 6126, nxpk= 20, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1157,1158,
 &end
#
#  111 VAL  MGX          37 TRP  HA          5.00    (#   6128:20  Unique         1.97, 3.91 A)
 &rst
  ixpk= 6128, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#    4 ARG  HN            0 AMB  20-1:6131   5.00    (#   6131:20  Single Ambig)
 &rst
  ixpk= 6131, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=  72,  73,  72,  73,
 &end
#
#    9 GLU  HN            8 PRO  HA          4.00    (#   6132:20  Unique         3.49, 3.53 A)
 &rst
  ixpk= 6132, nxpk= 20, iat= 148, 144, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 GLU  HN           23 ARG  HA          5.00    (#   6136:20  Unique         3.52, 3.59 A)
 &rst
  ixpk= 6136, nxpk= 20, iat= 383, 361, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 ILE  QG2          28 GLY  HA-         5.00    (#   6137:20  Unique         3.11, 6.06 A)
 &rst
  ixpk= 6137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 440, 441, 442,
 igr2= 455, 456,
 &end
#
#   30 LYS  HA           30 LYS  HG+         5.00    (#   6138:20  Unique         2.44, 2.87 A)
 &rst
  ixpk= 6138, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 482, 483,
 &end
#
#   34 ILE  HB           34 ILE  HA          6.00    (#   6140:20  Unique         3.00, 3.02 A)
 &rst
  ixpk= 6140, nxpk= 20, iat= 548, 546, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 LEU  MDY          35 HIS  HB-         6.00    (#   6141:20  Unique         1.96, 5.32 A)
 &rst
  ixpk= 6141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 534, 535, 536, 538, 539, 540,
 igr2= 567, 568,
 &end
#
#   33 LEU  MDX          35 HIS  HB+         6.00    (#   6142:20  Unique         1.96, 5.32 A)
 &rst
  ixpk= 6142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 534, 535, 536, 538, 539, 540,
 igr2= 567, 568,
 &end
#
#   39 ILE  HG1+         39 ILE  HB          4.00    (#   6144:20  Unique         2.51, 2.80 A)
 &rst
  ixpk= 6144, nxpk= 20, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 645, 646,
 &end
#
#   43 LEU  HA           43 LEU  MDY         4.00    (#   6145:20  Unique         1.99, 3.83 A)
 &rst
  ixpk= 6145, nxpk= 20, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   63 ASN  HD2+         63 ASN  HB-         6.00    (#   6147:20  Unique         2.11, 3.27 A)
 &rst
  ixpk= 6147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1036,1037,
 igr2=1031,1032,
 &end
#
#   32 THR  HG1          63 ASN  HB-         6.00    (#   6148:20  Unique         2.86, 4.12 A)
 &rst
  ixpk= 6148, nxpk= 20, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1031,1032,
 &end
#
#   67 VAL  HB           67 VAL  HA          6.00    (#   6149:20  Unique         2.54, 2.97 A)
 &rst
  ixpk= 6149, nxpk= 20, iat=1087,1085, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   95 PHE  HB-          67 VAL  MGX         6.00    (#   6150:20  Unique         2.02, 4.91 A)
 &rst
  ixpk= 6150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1516,1517,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   66 ALA  HA           67 VAL  MGX         6.00    (#   6151:20  Unique         3.22, 5.27 A)
 &rst
  ixpk= 6151, nxpk= 20, iat=1075,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   68 HIS  HN           68 HIS  HA          6.00    (#   6152:20  Unique         2.82, 2.86 A)
 &rst
  ixpk= 6152, nxpk= 20, iat=1099,1101, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   71 ARG  HN           71 ARG  HB-         6.00    (#   6153:20  Unique         2.05, 2.60 A)
 &rst
  ixpk= 6153, nxpk= 20, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1151,1152,
 &end
#
#   72 SER  HB-          72 SER  HA          3.00    (#   6154:20  Unique         2.46, 2.86 A)
 &rst
  ixpk= 6154, nxpk= 20, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1175,1176,
 &end
#
#   72 SER  HB+          72 SER  HA          4.00    (#   6155:20  Unique         2.46, 2.86 A)
 &rst
  ixpk= 6155, nxpk= 20, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1175,1176,
 &end
#
#   72 SER  HN           72 SER  HA          5.00    (#   6156:20  Unique         2.88, 2.89 A)
 &rst
  ixpk= 6156, nxpk= 20, iat=1171,1173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   72 SER  HN           72 SER  HB+         6.00    (#   6157:20  Unique         2.30, 3.08 A)
 &rst
  ixpk= 6157, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1175,1176,
 &end
#
#   78 PRO  HD-          78 PRO  HG-         4.00    (#   6158:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 6158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1253,1254,
 igr2=1256,1257,
 &end
#
#   37 TRP  HZ3          81 ILE  HA          6.00    (#   6159:20  Unique         4.84, 5.40 A)
 &rst
  ixpk= 6159, nxpk= 20, iat= 617,1297, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:6160    81 ILE  HA          6.00    (#   6160:20  Single Ambig)
 &rst
  ixpk= 6160, nxpk= 20, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 639,1318,1319,
 &end
#
#   82 LYS  HN           81 ILE  QD1         6.00    (#   6161:20  Unique         4.56, 5.33 A)
 &rst
  ixpk= 6161, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1308,1309,1310,
 &end
#
#   78 PRO  HB+          81 ILE  QD1         6.00    (#   6162:20  Unique         3.59, 5.44 A)
 &rst
  ixpk= 6162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1259,1260,
 igr2=1308,1309,1310,
 &end
#
#    7 MET  HN            6 PRO  HD-         6.00    (#   6163:20  Unique         4.23, 5.33 A)
 &rst
  ixpk= 6163, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 104, 105,
 &end
#
#    0 AMB  20-2:6164     0 AMB  20-1:6164   3.00    (#   6164:20  Double Ambig)
 &rst
  ixpk= 6164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1647,1648, 736, 737,
 igr2=1645, 656,
 &end
#
#   58 TYR  HN           56 ASP  HB+         6.00    (#   6166:20  Unique         5.02, 5.99 A)
 &rst
  ixpk= 6166, nxpk= 20, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 911, 912,
 &end
#
#   56 ASP  HN           53 GLU  HA          5.00    (#   6167:20  Unique         3.62, 3.74 A)
 &rst
  ixpk= 6167, nxpk= 20, iat= 907, 850, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:6168    52 ASN  HA          5.00    (#   6168:20  Single Ambig)
 &rst
  ixpk= 6168, nxpk= 20, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 883,1429,
 &end
#
#   10 LEU  HN           10 LEU  HB-         6.00    (#   6172:20  Unique         2.16, 3.13 A)
 &rst
  ixpk= 6172, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 167, 168,
 &end
#
#   16 TRP  HN           16 TRP  HB-         6.00    (#   6173:20  Unique         2.66, 3.51 A)
 &rst
  ixpk= 6173, nxpk= 20, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 254, 255,
 &end
#
#   16 TRP  HE3          16 TRP  HB-         6.00    (#   6174:20  Unique         2.42, 3.40 A)
 &rst
  ixpk= 6174, nxpk= 20, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 254, 255,
 &end
#
#   16 TRP  HD1          16 TRP  HB-         6.00    (#   6175:20  Unique         2.60, 3.21 A)
 &rst
  ixpk= 6175, nxpk= 20, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 254, 255,
 &end
#
#   16 TRP  HD1          16 TRP  HB+         6.00    (#   6176:20  Unique         2.60, 3.21 A)
 &rst
  ixpk= 6176, nxpk= 20, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 254, 255,
 &end
#
#   20 GLU  HG-          16 TRP  HB-         6.00    (#   6177:20  Unique         1.85, 3.45 A)
 &rst
  ixpk= 6177, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 321, 322,
 igr2= 254, 255,
 &end
#
#   20 GLU  HG+          16 TRP  HB-         6.00    (#   6178:20  Unique         1.85, 3.45 A)
 &rst
  ixpk= 6178, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 321, 322,
 igr2= 254, 255,
 &end
#
#   17 LEU  HN           16 TRP  HB+         6.00    (#   6180:20  Unique         2.83, 3.62 A)
 &rst
  ixpk= 6180, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 254, 255,
 &end
#
#   36 PHE  HN           36 PHE  HA          4.00    (#   6181:20  Unique         2.89, 2.92 A)
 &rst
  ixpk= 6181, nxpk= 20, iat= 580, 582, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   40 SER  HN           39 ILE  HB          6.00    (#   6182:20  Unique         4.31, 4.41 A)
 &rst
  ixpk= 6182, nxpk= 20, iat= 654, 639, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:6184     1 MET  ME          6.00    (#   6184:20  Single Ambig)
 &rst
  ixpk= 6184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1665, 117,
 igr2=  15,  16,  17,
 &end
#
#  117 PHE  HN            0 AMB  20-1:6185   5.00    (#   6185:20  Single Ambig)
 &rst
  ixpk= 6185, nxpk= 20, iat=1848,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#  114 TYR  HN          126 PHE  HA          6.00    (#   6188:20  Unique         4.54, 4.77 A)
 &rst
  ixpk= 6188, nxpk= 20, iat=1790,2002, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:6190   143 VAL  HA          6.00    (#   6190:20  Single Ambig)
 &rst
  ixpk= 6190, nxpk= 20, iat=  -1,2271, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2252,2253,2252,2253,
 &end
#
#   18 ASN  HN           17 LEU  HB+         6.00    (#   6193:20  Unique         3.04, 3.95 A)
 &rst
  ixpk= 6193, nxpk= 20, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 278, 279,
 &end
#
#   33 LEU  HN           63 ASN  HB-         6.00    (#   6194:20  Unique         3.48, 4.20 A)
 &rst
  ixpk= 6194, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1031,1032,
 &end
#
#   33 LEU  HN           63 ASN  HB+         6.00    (#   6195:20  Unique         3.48, 4.20 A)
 &rst
  ixpk= 6195, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1031,1032,
 &end
#
#   46 GLU  HN           46 GLU  HG-         4.00    (#   6196:20  Unique         1.93, 2.52 A)
 &rst
  ixpk= 6196, nxpk= 20, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 752, 753,
 &end
#
#   21 VAL  HN           20 GLU  HB-         5.00    (#   6197:20  Unique         2.25, 3.64 A)
 &rst
  ixpk= 6197, nxpk= 20, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 318, 319,
 &end
#
#   21 VAL  HN           20 GLU  HB+         6.00    (#   6198:20  Unique         2.25, 3.64 A)
 &rst
  ixpk= 6198, nxpk= 20, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 318, 319,
 &end
#
#    0 AMB  20-2:6207    10 LEU  MDY         5.00    (#   6207:20  Single Ambig)
 &rst
  ixpk= 6207, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1617, 128, 129, 130,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#    5 GLN  HN          123 LEU  HB-         6.00    (#   6210:20  Unique         1.75, 2.20 A)
 &rst
  ixpk= 6210, nxpk= 20, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1944,1945,
 &end
#
#    5 GLN  HN          123 LEU  HB+         6.00    (#   6211:20  Unique         1.75, 2.20 A)
 &rst
  ixpk= 6211, nxpk= 20, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1944,1945,
 &end
#
#  117 PHE  HN            7 MET  ME          6.00    (#   6212:20  Unique         4.77, 5.66 A)
 &rst
  ixpk= 6212, nxpk= 20, iat=1848,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 128, 129, 130,
 &end
#
#   46 GLU  HN           46 GLU  HG+         5.00    (#   6214:20  Unique         1.93, 2.52 A)
 &rst
  ixpk= 6214, nxpk= 20, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 752, 753,
 &end
#
#   31 PRO  HB-         143 VAL  MGX         6.00    (#   6215:20  Unique         2.05, 4.13 A)
 &rst
  ixpk= 6215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 504, 505,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  115 TYR  HD          128 ALA  MB          6.00    (#   6216:20  Unique         4.75, 7.79 A)
 &rst
  ixpk= 6216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1819,1828,
 igr2=2041,2042,2043,
 &end
#
#   51 VAL  MGX         133 MET  ME          5.00    (#   6217:20  Unique         2.17, 5.82 A)
 &rst
  ixpk= 6217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 824, 825, 826, 828, 829, 830,
 igr2=2090,2091,2092,
 &end
#
#  111 VAL  HN          111 VAL  HA          5.00    (#   6218:20  Unique         2.21, 2.31 A)
 &rst
  ixpk= 6218, nxpk= 20, iat=1750,1752, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 LEU  HA          123 LEU  HB+         5.00    (#   6219:20  Unique         1.94, 3.26 A)
 &rst
  ixpk= 6219, nxpk= 20, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1944,1945,
 &end
#
#  111 VAL  MGX           0 AMB  20-1:6220   4.00    (#   6220:20  Single Ambig)
 &rst
  ixpk= 6220, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2=1754,1773,1774,
 &end
#
#    0 AMB  20-2:6221     0 AMB  20-1:6221   4.00    (#   6221:20  Double Ambig)
 &rst
  ixpk= 6221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=  72,  73,  72,  73,
 igr2=  69,  70,  69,  70,
 &end
#
#  124 ARG  HN          124 ARG  HB+         6.00    (#   6222:20  Unique         2.16, 2.99 A)
 &rst
  ixpk= 6222, nxpk= 20, iat=1959,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1963,1964,
 &end
#
#  124 ARG  HN          124 ARG  HB-         6.00    (#   6223:20  Unique         2.16, 2.99 A)
 &rst
  ixpk= 6223, nxpk= 20, iat=1959,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1963,1964,
 &end
#
#  139 ARG  HN          139 ARG  HG+         6.00    (#   6224:20  Unique         2.68, 4.02 A)
 &rst
  ixpk= 6224, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2198,2199,
 &end
#
#  142 ARG  HA            0 AMB  20-1:6225   4.00    (#   6225:20  Single Ambig)
 &rst
  ixpk= 6225, nxpk= 20, iat=2247,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=2252,2253,2252,2253,
 &end
#
#    0 AMB  20-2:6226     0 AMB  20-1:6226   4.00    (#   6226:20  Double Ambig)
 &rst
  ixpk= 6226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=2255,2256,2255,2256,
 igr2=2252,2253,2252,2253,
 &end
#
#  111 VAL  MGY          71 ARG  HD-         4.00    (#   6227:20  Unique         2.17, 5.30 A)
 &rst
  ixpk= 6227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2=1157,1158,
 &end
#
#   20 GLU  HG+          16 TRP  HB+         6.00    (#   6228:20  Unique         1.85, 3.45 A)
 &rst
  ixpk= 6228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 321, 322,
 igr2= 254, 255,
 &end
#
#   20 GLU  HG-          16 TRP  HB+         6.00    (#   6229:20  Unique         1.85, 3.45 A)
 &rst
  ixpk= 6229, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 321, 322,
 igr2= 254, 255,
 &end
#
#   35 HIS  HD2          35 HIS  HB-         5.00    (#   6230:20  Unique         2.94, 3.56 A)
 &rst
  ixpk= 6230, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 567, 568,
 &end
#
#  100 HIS  HD2         100 HIS  HB-         6.00    (#   6231:20  Unique         2.74, 3.63 A)
 &rst
  ixpk= 6231, nxpk= 20, iat=1596,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1587,1588,
 &end
#
#   45 LYS  HD+          39 ILE  HA          6.00    (#   6233:20  Unique         3.26, 3.81 A)
 &rst
  ixpk= 6233, nxpk= 20, iat=  -1, 637, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 733, 734,
 &end
#
#  146 GLU  HG+         143 VAL  HA          5.00    (#   6235:20  Unique         1.94, 2.81 A)
 &rst
  ixpk= 6235, nxpk= 20, iat=  -1,2271, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2321,2322,
 &end
#
#   78 PRO  HD-          78 PRO  HB-         4.00    (#   6237:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 6237, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1253,1254,
 igr2=1259,1260,
 &end
#
#   27 ILE  HG1+         24 GLU  HA          5.00    (#   6238:20  Unique         2.74, 3.66 A)
 &rst
  ixpk= 6238, nxpk= 20, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 444, 445,
 &end
#
#  102 LEU  HG          102 LEU  MDY         6.00    (#   6240:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 6240, nxpk= 20, iat=1617,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#  115 TYR  HA          115 TYR  HB-         6.00    (#   6241:20  Unique         2.63, 2.86 A)
 &rst
  ixpk= 6241, nxpk= 20, iat=1813,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1815,1816,
 &end
#
#   94 ILE  HG1-         94 ILE  HA          5.00    (#   6242:20  Unique         2.32, 3.15 A)
 &rst
  ixpk= 6242, nxpk= 20, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1503,1504,
 &end
#
#   43 LEU  HB+          43 LEU  MDY         3.00    (#   6244:20  Unique         1.98, 3.32 A)
 &rst
  ixpk= 6244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 697, 698,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   96 VAL  MGY          15 ALA  HA          6.00    (#   6245:20  Unique         3.74, 5.78 A)
 &rst
  ixpk= 6245, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1538,1539,1540,1542,1543,1544,
 &end
#
#   18 ASN  HD2+         85 ALA  MB          6.00    (#   6247:20  Unique         3.82, 5.92 A)
 &rst
  ixpk= 6247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 302, 303,
 igr2=1369,1370,1371,
 &end
#
#   71 ARG  HB-          69 MET  HA          5.00    (#   6249:20  Unique         5.18, 6.08 A)
 &rst
  ixpk= 6249, nxpk= 20, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1151,1152,
 &end
#
#   77 ASP  HN           70 PRO  HA          6.00    (#   6253:20  Unique         5.41, 5.82 A)
 &rst
  ixpk= 6253, nxpk= 20, iat=1240,1143, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:6254    35 HIS  HA          5.00    (#   6254:20  Single Ambig)
 &rst
  ixpk= 6254, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 576,1739,1744,
 &end
#
#    0 AMB  20-2:6255    35 HIS  HA          5.00    (#   6255:20  Single Ambig)
 &rst
  ixpk= 6255, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 588, 596,1798,1807,
 &end
#
#   97 ASP  HB-          97 ASP  HA          6.00    (#   6258:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 6258, nxpk= 20, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1552,1553,
 &end
#
#    0 AMB  20-2:6259    97 ASP  HA          5.00    (#   6259:20  Single Ambig)
 &rst
  ixpk= 6259, nxpk= 20, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1560, 240,
 &end
#
#   97 ASP  HN           97 ASP  HA          6.00    (#   6260:20  Unique         2.17, 2.58 A)
 &rst
  ixpk= 6260, nxpk= 20, iat=1548,1550, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   66 ALA  HN           65 VAL  MGX         4.00    (#   6262:20  Unique         2.15, 4.57 A)
 &rst
  ixpk= 6262, nxpk= 20, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   37 TRP  HZ2          90 ILE  QG2         6.00    (#   6263:20  Unique         2.04, 4.15 A)
 &rst
  ixpk= 6263, nxpk= 20, iat= 613,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1435,1436,1437,
 &end
#
#  104 ASP  HN          104 ASP  HA          5.00    (#   6264:20  Unique         2.85, 2.88 A)
 &rst
  ixpk= 6264, nxpk= 20, iat=1643,1645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PHE  HE           33 LEU  MDX         5.00    (#   6265:20  Unique         1.90, 4.97 A)
 &rst
  ixpk= 6265, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 873, 877,
 igr2= 534, 535, 536, 538, 539, 540,
 &end


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