NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
487323 |
2knq   |
cing | 1-original | 3 | AMBER | distance | NOE | simple |
#
#
# 130 TRP HE1 130 TRP HD1 3.50 (# 0:20 Unique 2.56, 2.57 A)
&rst
ixpk= 0, nxpk= 20, iat=1952,1950, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 0 AMB 20-3:1 130 TRP HD1 5.50 (# 1:20 Single Ambig)
&rst
ixpk= 1, nxpk= 20, iat= -1,1950, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1970,1971,1973,1974,
&end
#
# 130 TRP HE1 130 TRP HZ2 3.50 (# 2:20 Unique 2.88, 2.90 A)
&rst
ixpk= 2, nxpk= 20, iat=1952,1955, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 130 TRP HH2 130 TRP HZ2 2.80 (# 5:20 Unique 2.47, 2.48 A)
&rst
ixpk= 5, nxpk= 20, iat=1957,1955, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 22 ALA HA 130 TRP HZ2 5.50 (# 6:20 Unique 5.50, 5.52 A)
&rst
ixpk= 6, nxpk= 20, iat= 331,1955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-3:7 130 TRP HZ2 4.50 (# 7:20 Single Ambig)
&rst
ixpk= 7, nxpk= 20, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 372, 373, 372, 373,
&end
#
# 25 GLU HG+ 130 TRP HZ2 4.50 (# 8:20 Unique 2.92, 4.12 A)
&rst
ixpk= 8, nxpk= 20, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 375, 376,
&end
#
# 0 AMB 20-3:9 130 TRP HZ2 4.50 (# 9:20 Single Ambig)
&rst
ixpk= 9, nxpk= 20, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1970,1971, 321, 322, 323,
&end
#
# 130 TRP HZ2 130 TRP HH2 2.80 (# 11:20 Unique 2.47, 2.48 A)
&rst
ixpk= 11, nxpk= 20, iat=1955,1957, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 130 TRP HZ3 130 TRP HH2 3.50 (# 12:20 Unique 2.47, 2.48 A)
&rst
ixpk= 12, nxpk= 20, iat=1959,1957, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 GLU HB+ 130 TRP HH2 3.50 (# 14:20 Unique 2.15, 3.08 A)
&rst
ixpk= 14, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 372, 373,
&end
#
# 21 THR MG2 130 TRP HH2 4.50 (# 15:20 Unique 2.23, 3.10 A)
&rst
ixpk= 15, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 321, 322, 323,
&end
#
# 25 GLU HG+ 130 TRP HH2 4.50 (# 16:20 Unique 3.34, 4.33 A)
&rst
ixpk= 16, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 375, 376,
&end
#
# 0 AMB 20-3:17 130 TRP HE3 5.50 (# 17:20 Single Ambig)
&rst
ixpk= 17, nxpk= 20, iat= -1,1961, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 356,1973,1974,
&end
#
# 99 ILE HG1- 130 TRP HE3 5.50 (# 18:20 Unique 5.74, 6.15 A)
&rst
ixpk= 18, nxpk= 20, iat= -1,1961, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1517,1518,
&end
#
# 3 TYR HB+ 3 TYR HD 3.50 (# 20:20 Unique 2.33, 3.08 A)
&rst
ixpk= 20, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 35, 36,
igr2= 39, 48,
&end
#
# 3 TYR HB- 3 TYR HD 3.50 (# 21:20 Unique 2.33, 3.08 A)
&rst
ixpk= 21, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 35, 36,
igr2= 39, 48,
&end
#
# 0 AMB 20-3:22 3 TYR HD 5.50 (# 22:20 Single Ambig)
&rst
ixpk= 22, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 54, 55, 54, 55,
igr2= 39, 48,
&end
#
# 0 AMB 20-3:23 3 TYR HD 4.50 (# 23:20 Single Ambig)
&rst
ixpk= 23, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 33,1767,
igr2= 39, 48,
&end
#
# 3 TYR HE 3 TYR HD 2.80 (# 24:20 Unique 2.45, 3.73 A)
&rst
ixpk= 24, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 41, 46,
igr2= 39, 48,
&end
#
# 0 AMB 20-3:28 3 TYR HD 5.50 (# 28:20 Single Ambig)
&rst
ixpk= 28, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 59,1743,1744,
igr2= 39, 48,
&end
#
# 117 THR HA 3 TYR HE 5.50 (# 29:20 Unique 3.64, 6.12 A)
&rst
ixpk= 29, nxpk= 20, iat=1767, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 41, 46,
&end
#
# 3 TYR HD 3 TYR HE 2.80 (# 31:20 Unique 2.45, 3.73 A)
&rst
ixpk= 31, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 39, 48,
igr2= 41, 46,
&end
#
# 42 PHE HN 42 PHE HD 4.50 (# 32:20 Unique 2.95, 4.30 A)
&rst
ixpk= 32, nxpk= 20, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 626, 634,
&end
#
# 42 PHE HE 42 PHE HD 2.80 (# 33:20 Unique 2.46, 3.73 A)
&rst
ixpk= 33, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 628, 632,
igr2= 626, 634,
&end
#
# 0 AMB 20-3:34 42 PHE HD 4.50 (# 34:20 Single Ambig)
&rst
ixpk= 34, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 620, 603,
igr2= 626, 634,
&end
#
# 42 PHE HB- 42 PHE HD 4.50 (# 35:20 Unique 2.37, 3.08 A)
&rst
ixpk= 35, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 622, 623,
igr2= 626, 634,
&end
#
# 42 PHE HB+ 42 PHE HD 4.50 (# 36:20 Unique 2.37, 3.08 A)
&rst
ixpk= 36, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 622, 623,
igr2= 626, 634,
&end
#
# 0 AMB 20-3:37 42 PHE HD 4.50 (# 37:20 Single Ambig)
&rst
ixpk= 37, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1678,1679,1680,1682,1683,1684,1678,1679,1680,1682,
1683,1684,
igr2= 626, 634,
&end
#
# 40 ILE QD1 42 PHE HE 3.50 (# 39:20 Unique 2.78, 5.56 A)
&rst
ixpk= 39, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 595, 596, 597,
igr2= 628, 632,
&end
#
# 59 TRP HE1 59 TRP HD1 3.50 (# 41:20 Unique 2.54, 2.56 A)
&rst
ixpk= 41, nxpk= 20, iat= 884, 882, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 TRP HN 59 TRP HD1 5.50 (# 42:20 Unique 4.48, 4.69 A)
&rst
ixpk= 42, nxpk= 20, iat= 874, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ARG HA 59 TRP HD1 4.50 (# 44:20 Unique 3.63, 4.05 A)
&rst
ixpk= 44, nxpk= 20, iat= 900, 882, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-3:45 59 TRP HD1 4.50 (# 45:20 Single Ambig)
&rst
ixpk= 45, nxpk= 20, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 908, 909, 908, 909,
&end
#
# 59 TRP HE1 59 TRP HZ2 4.50 (# 47:20 Unique 2.87, 2.88 A)
&rst
ixpk= 47, nxpk= 20, iat= 884, 887, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-3:48 59 TRP HZ2 3.50 (# 48:20 Single Ambig)
&rst
ixpk= 48, nxpk= 20, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1439,1440, 935,
&end
#
# 59 TRP HH2 59 TRP HZ2 3.50 (# 49:20 Unique 2.48, 2.50 A)
&rst
ixpk= 49, nxpk= 20, iat= 889, 887, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-3:50 0 AMB 20-1:50 4.50 (# 50:20 Double Ambig)
&rst
ixpk= 50, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 935,1439,1440, 695,
igr2= 889,1155,
&end
#
# 59 TRP HZ2 59 TRP HH2 2.80 (# 51:20 Unique 2.48, 2.50 A)
&rst
ixpk= 51, nxpk= 20, iat= 887, 889, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 59 TRP HZ3 59 TRP HH2 3.50 (# 52:20 Unique 2.48, 2.49 A)
&rst
ixpk= 52, nxpk= 20, iat= 891, 889, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-3:53 59 TRP HH2 4.50 (# 53:20 Single Ambig)
&rst
ixpk= 53, nxpk= 20, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 549, 550,1431,1432,1431,1432,
&end
#
# 61 TRP HE1 61 TRP HD1 3.50 (# 54:20 Unique 2.56, 2.57 A)
&rst
ixpk= 54, nxpk= 20, iat= 932, 930, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 TRP HN 61 TRP HD1 5.50 (# 55:20 Unique 3.10, 3.77 A)
&rst
ixpk= 55, nxpk= 20, iat= 922, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 TRP HH2 61 TRP HD1 5.50 (# 56:20 Unique 4.73, 5.08 A)
&rst
ixpk= 56, nxpk= 20, iat= 889, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-3:57 61 TRP HD1 4.50 (# 57:20 Single Ambig)
&rst
ixpk= 57, nxpk= 20, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1429, 900,
&end
#
# 61 TRP HE1 61 TRP HZ2 4.50 (# 59:20 Unique 2.88, 2.90 A)
&rst
ixpk= 59, nxpk= 20, iat= 932, 935, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 TRP HH2 61 TRP HZ2 3.50 (# 60:20 Unique 2.49, 2.51 A)
&rst
ixpk= 60, nxpk= 20, iat= 937, 935, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 TRP HZ2 61 TRP HH2 3.50 (# 63:20 Unique 2.49, 2.51 A)
&rst
ixpk= 63, nxpk= 20, iat= 935, 937, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-3:64 61 TRP HH2 4.50 (# 64:20 Single Ambig)
&rst
ixpk= 64, nxpk= 20, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 552, 553, 549, 550,
&end
#
# 98 VAL MGY 61 TRP HH2 4.50 (# 66:20 Unique 2.61, 4.42 A)
&rst
ixpk= 66, nxpk= 20, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1497,1498,1499,1501,1502,1503,
&end
#
# 111 LEU MDY 83 HIS HD2 4.50 (# 67:20 Unique 2.37, 4.52 A)
&rst
ixpk= 67, nxpk= 20, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1697,1698,1699,1701,1702,1703,
&end
#
# 113 ALA MB 83 HIS HD2 4.50 (# 68:20 Unique 2.86, 3.94 A)
&rst
ixpk= 68, nxpk= 20, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1728,1729,1730,
&end
#
# 0 AMB 20-3:69 0 AMB 20-1:69 5.50 (# 69:20 Double Ambig)
&rst
ixpk= 69, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.47, r4= 9.97,
igr1=1711,1712,1711,1712, 333, 334, 335,1673,1674,2078,
2079,2078,2079,
igr2=1268,1157,
&end
#
# 82 ILE HA 83 HIS HD2 5.50 (# 70:20 Unique 3.07, 3.65 A)
&rst
ixpk= 70, nxpk= 20, iat=1238,1268, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-3:72 76 TRP HZ3 4.50 (# 72:20 Single Ambig)
&rst
ixpk= 72, nxpk= 20, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 628, 632,1155,
&end
#
# 76 TRP HZ3 76 TRP HH2 3.50 (# 74:20 Unique 2.47, 2.48 A)
&rst
ixpk= 74, nxpk= 20, iat=1157,1155, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-3:75 0 AMB 20-1:75 5.50 (# 75:20 Double Ambig)
&rst
ixpk= 75, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 353, 354,1718,1719,1720, 387, 388,1479,
igr2=1155, 889,
&end
#
# 23 ALA MB 76 TRP HH2 3.50 (# 76:20 Unique 2.24, 3.12 A)
&rst
ixpk= 76, nxpk= 20, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 343, 344, 345,
&end
#
# 61 TRP HE1 59 TRP HH2 5.50 (# 77:20 Unique 2.81, 2.95 A)
&rst
ixpk= 77, nxpk= 20, iat= 932, 889, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 PHE HE 87 PHE HD 5.50 (# 78:20 Unique 2.48, 3.73 A)
&rst
ixpk= 78, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1332,1336,
igr2=1330,1338,
&end
#
# 0 AMB 20-3:79 87 PHE HD 4.50 (# 79:20 Single Ambig)
&rst
ixpk= 79, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1309,1310,1642,1643,
igr2=1330,1338,
&end
#
# 87 PHE HB- 87 PHE HD 4.50 (# 80:20 Unique 2.32, 3.08 A)
&rst
ixpk= 80, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1326,1327,
igr2=1330,1338,
&end
#
# 0 AMB 20-3:83 87 PHE HD 5.50 (# 83:20 Single Ambig)
&rst
ixpk= 83, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1462,1463,1481,1482,1483,1485,1486,1487,
igr2=1330,1338,
&end
#
# 87 PHE HB+ 87 PHE HD 4.50 (# 84:20 Unique 2.32, 3.08 A)
&rst
ixpk= 84, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1326,1327,
igr2=1330,1338,
&end
#
# 97 VAL MGY 87 PHE HE 4.50 (# 85:20 Unique 2.69, 6.99 A)
&rst
ixpk= 85, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1481,1482,1483,1485,1486,1487,
igr2=1332,1336,
&end
#
# 0 AMB 20-3:87 87 PHE HE 3.50 (# 87:20 Single Ambig)
&rst
ixpk= 87, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1334,1439,1440,
igr2=1332,1336,
&end
#
# 87 PHE HE 87 PHE HZ 5.50 (# 89:20 Unique 2.48, 2.49 A)
&rst
ixpk= 89, nxpk= 20, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1332,1336,
&end
#
# 108 PHE HB- 87 PHE HZ 5.50 (# 90:20 Unique 2.27, 5.36 A)
&rst
ixpk= 90, nxpk= 20, iat= -1,1334, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1642,1643,
&end
#
# 109 SER HN 108 PHE HD 4.50 (# 93:20 Unique 2.71, 4.29 A)
&rst
ixpk= 93, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1646,1654,
&end
#
# 108 PHE HE 108 PHE HD 2.80 (# 94:20 Unique 2.46, 3.72 A)
&rst
ixpk= 94, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1648,1652,
igr2=1646,1654,
&end
#
# 0 AMB 20-3:95 108 PHE HD 5.50 (# 95:20 Single Ambig)
&rst
ixpk= 95, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1650, 628, 632, 305, 309,
igr2=1646,1654,
&end
#
# 108 PHE HB- 108 PHE HD 4.50 (# 96:20 Unique 2.34, 3.07 A)
&rst
ixpk= 96, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1642,1643,
igr2=1646,1654,
&end
#
# 108 PHE HB+ 108 PHE HD 5.50 (# 97:20 Unique 2.34, 3.07 A)
&rst
ixpk= 97, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1642,1643,
igr2=1646,1654,
&end
#
# 105 ILE QG2 108 PHE HD 4.50 (# 98:20 Unique 3.24, 6.17 A)
&rst
ixpk= 98, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1597,1598,1599,
igr2=1646,1654,
&end
#
# 0 AMB 20-3:100 108 PHE HD 5.50 (# 100:20 Single Ambig)
&rst
ixpk= 100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1678,1679,1680,1682,1683,1684,1678,1679,1680,1682,
1683,1684,
igr2=1646,1654,
&end
#
# 126 CYS HB- 108 PHE HD 5.50 (# 101:20 Unique 2.58, 4.51 A)
&rst
ixpk= 101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1906,1907,
igr2=1646,1654,
&end
#
# 97 VAL MGY 108 PHE HD 4.50 (# 103:20 Unique 2.83, 4.69 A)
&rst
ixpk= 103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1481,1482,1483,1485,1486,1487,
igr2=1646,1654,
&end
#
# 106 THR MG2 108 PHE HD 5.50 (# 104:20 Unique 3.20, 7.48 A)
&rst
ixpk= 104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1616,1617,1618,
igr2=1646,1654,
&end
#
# 0 AMB 20-3:105 108 PHE HE 4.50 (# 105:20 Single Ambig)
&rst
ixpk= 105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1650, 305, 309,
igr2=1648,1652,
&end
#
# 108 PHE HD 108 PHE HE 2.80 (# 106:20 Unique 2.46, 3.72 A)
&rst
ixpk= 106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1646,1654,
igr2=1648,1652,
&end
#
# 105 ILE QG2 108 PHE HE 3.50 (# 108:20 Unique 2.32, 5.08 A)
&rst
ixpk= 108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1597,1598,1599,
igr2=1648,1652,
&end
#
# 0 AMB 20-3:109 108 PHE HE 4.50 (# 109:20 Single Ambig)
&rst
ixpk= 109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1= 358, 359, 360, 362, 363, 364,1876,1877,1878,1880,
1881,1882,1876,1877,1878,1880,1881,1882,1604,1605,
1606,
igr2=1648,1652,
&end
#
# 97 VAL MGY 108 PHE HE 5.50 (# 110:20 Unique 2.32, 4.24 A)
&rst
ixpk= 110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1481,1482,1483,1485,1486,1487,
igr2=1648,1652,
&end
#
# 110 LEU MDX 108 PHE HE 4.50 (# 111:20 Unique 2.51, 6.15 A)
&rst
ixpk= 111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1678,1679,1680,1682,1683,1684,
igr2=1648,1652,
&end
#
# 131 PRO HD- 130 TRP HD1 4.50 (# 113:20 Unique 3.52, 4.55 A)
&rst
ixpk= 113, nxpk= 20, iat= -1,1950, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1967,1968,
&end
#
# 0 AMB 20-3:114 0 AMB 20-1:114 3.50 (# 114:20 Double Ambig)
&rst
ixpk= 114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 878, 879,1946,1947,1946,1947,
igr2= 882,1950,
&end
#
# 24 LEU MDY 130 TRP HZ3 5.50 (# 116:20 Unique 2.43, 4.50 A)
&rst
ixpk= 116, nxpk= 20, iat= -1,1959, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 358, 359, 360, 362, 363, 364,
&end
#
# 130 TRP HE3 130 TRP HZ3 3.50 (# 118:20 Unique 2.48, 2.49 A)
&rst
ixpk= 118, nxpk= 20, iat=1961,1959, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-3:120 130 TRP HE3 4.50 (# 120:20 Single Ambig)
&rst
ixpk= 120, nxpk= 20, iat= -1,1961, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1946,1947,1946,1947,
&end
#
# 28 ILE QD1 130 TRP HE3 4.50 (# 121:20 Unique 2.40, 3.07 A)
&rst
ixpk= 121, nxpk= 20, iat= -1,1961, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 425, 426, 427,
&end
#
# 76 TRP HE1 76 TRP HD1 5.50 (# 125:20 Unique 2.54, 2.56 A)
&rst
ixpk= 125, nxpk= 20, iat=1150,1148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 MET ME 61 TRP HD1 4.50 (# 129:20 Unique 4.71, 5.64 A)
&rst
ixpk= 129, nxpk= 20, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 760, 761, 762,
&end
#
# 40 ILE QG2 20 PHE HE 4.50 (# 139:20 Unique 2.28, 5.94 A)
&rst
ixpk= 139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 588, 589, 590,
igr2= 305, 309,
&end
#
# 0 AMB 20-3:140 20 PHE HE 3.50 (# 140:20 Single Ambig)
&rst
ixpk= 140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1876,1877,1878,1880,1881,1882, 358, 359, 360, 362,
363, 364,
igr2= 305, 309,
&end
#
# 20 PHE HZ 20 PHE HE 2.80 (# 141:20 Unique 2.47, 2.49 A)
&rst
ixpk= 141, nxpk= 20, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 305, 309,
&end
#
# 130 TRP HZ3 130 TRP HE3 4.50 (# 143:20 Unique 2.48, 2.49 A)
&rst
ixpk= 143, nxpk= 20, iat=1959,1961, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 GLU HN 130 TRP HH2 5.50 (# 10:20 Unique)
&rst
ixpk= 10, nxpk= 20, iat= 368,1957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 PHE HD 42 PHE HE 2.80 (# 40:20 Unique)
&rst
ixpk= 40, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 626, 634,
igr2= 628, 632,
&end
#
# 97 VAL MGY 108 PHE HD 5.50 (# 99:20 Unique)
&rst
ixpk= 99, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1481,1482,1483,1485,1486,1487,
igr2=1646,1654,
&end
#
# 130 TRP HB+ 130 TRP HD1 3.50 (# 114:20 Unique)
&rst
ixpk= 114, nxpk= 20, iat= -1,1950, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1946,1947,
&end
#
# 88 LYS HD+ 87 PHE HD 5.50 (# 81:20 Unique)
&rst
ixpk= 81, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1352,1353,
igr2=1330,1338,
&end
#
# 51 VAL MGX 61 TRP HH2 5.50 (# 65:20 Unique)
&rst
ixpk= 65, nxpk= 20, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 772, 773, 774, 776, 777, 778,
&end
#
# 132 LEU HB- 132 LEU HA 4.50 (# 0:20 Unique 2.16, 2.79 A)
&rst
ixpk= 0, nxpk= 20, iat= -1,1982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1=1984,1985,
&end
#
# 132 LEU HB+ 132 LEU HA 4.50 (# 1:20 Unique 2.16, 2.79 A)
&rst
ixpk= 1, nxpk= 20, iat= -1,1982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1984,1985,
&end
#
# 132 LEU MDY 132 LEU HA 3.50 (# 3:20 Unique 2.87, 4.16 A)
&rst
ixpk= 3, nxpk= 20, iat= -1,1982, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1989,1990,1991,1993,1994,1995,
&end
#
# 126 CYS HA 132 LEU HA 4.50 (# 5:20 Unique 2.71, 2.94 A)
&rst
ixpk= 5, nxpk= 20, iat=1904,1982, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 TYR HB+ 3 TYR HA 5.50 (# 6:20 Unique 2.30, 2.48 A)
&rst
ixpk= 6, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 35, 36,
&end
#
# 3 TYR HB- 3 TYR HA 5.50 (# 7:20 Unique 2.30, 2.48 A)
&rst
ixpk= 7, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 35, 36,
&end
#
# 5 ARG HB- 5 ARG HA 3.50 (# 8:20 Unique 2.24, 2.50 A)
&rst
ixpk= 8, nxpk= 20, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 63, 64,
&end
#
# 8 VAL MGX 5 ARG HA 5.50 (# 9:20 Unique 3.77, 7.43 A)
&rst
ixpk= 9, nxpk= 20, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 0 AMB 20-2:10 5 ARG HA 4.50 (# 10:20 Single Ambig)
&rst
ixpk= 10, nxpk= 20, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 69, 70, 69, 70,
&end
#
# 5 ARG HG+ 5 ARG HB- 2.80 (# 12:20 Unique 2.20, 2.75 A)
&rst
ixpk= 12, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 66, 67,
igr2= 63, 64,
&end
#
# 135 THR MG2 0 AMB 20-1:13 5.50 (# 13:20 Single Ambig)
&rst
ixpk= 13, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2034,2035,2036,
igr2=2075,2076,2075,2076,
&end
#
# 5 ARG HA 5 ARG HB- 3.50 (# 14:20 Unique 2.24, 2.50 A)
&rst
ixpk= 14, nxpk= 20, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 63, 64,
&end
#
# 0 AMB 20-2:15 0 AMB 20-1:15 2.80 (# 15:20 Double Ambig)
&rst
ixpk= 15, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 66, 67, 66, 67,
igr2= 69, 70, 69, 70,
&end
#
# 0 AMB 20-2:16 6 GLU HA 3.50 (# 16:20 Single Ambig)
&rst
ixpk= 16, nxpk= 20, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 90, 91, 90, 91,1198,1199,
&end
#
# 6 GLU HB- 6 GLU HA 2.80 (# 17:20 Unique 2.37, 2.63 A)
&rst
ixpk= 17, nxpk= 20, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 87, 88,
&end
#
# 0 AMB 20-2:18 0 AMB 20-1:18 2.80 (# 18:20 Double Ambig)
&rst
ixpk= 18, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 90, 91, 90, 91,
igr2= 87, 88, 87, 88,
&end
#
# 0 AMB 20-2:19 0 AMB 20-1:19 3.50 (# 19:20 Double Ambig)
&rst
ixpk= 19, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 85,1051,
igr2= 87, 88, 999,1000,
&end
#
# 6 GLU HA 6 GLU HB+ 3.50 (# 20:20 Unique 2.37, 2.63 A)
&rst
ixpk= 20, nxpk= 20, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 87, 88,
&end
#
# 65 GLN HA 65 GLN HB- 3.50 (# 21:20 Unique 2.35, 2.73 A)
&rst
ixpk= 21, nxpk= 20, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 999,1000,
&end
#
# 6 GLU HA 0 AMB 20-1:22 3.50 (# 22:20 Single Ambig)
&rst
ixpk= 22, nxpk= 20, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 90, 91, 90, 91,
&end
#
# 0 AMB 20-2:23 0 AMB 20-1:23 5.50 (# 23:20 Double Ambig)
&rst
ixpk= 23, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2099,2100, 140, 141,
igr2=2097, 100,
&end
#
# 67 ASP HA 67 ASP HB- 3.50 (# 24:20 Unique 2.35, 2.71 A)
&rst
ixpk= 24, nxpk= 20, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1031,1032,
&end
#
# 70 ASP HN 70 ASP HB- 3.50 (# 26:20 Unique 2.37, 3.09 A)
&rst
ixpk= 26, nxpk= 20, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1063,1064,
&end
#
# 0 AMB 20-2:27 0 AMB 20-1:27 3.50 (# 27:20 Double Ambig)
&rst
ixpk= 27, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1390,1059,
igr2=1394,1395,1063,1064,
&end
#
# 7 ASP HN 7 ASP HB+ 3.50 (# 28:20 Unique 2.02, 2.76 A)
&rst
ixpk= 28, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 102, 103,
&end
#
# 9 ALA HN 8 VAL HB 4.50 (# 30:20 Unique 2.63, 2.86 A)
&rst
ixpk= 30, nxpk= 20, iat= 126, 114, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 ARG HG+ 8 VAL MGX 3.50 (# 31:20 Unique 2.19, 4.87 A)
&rst
ixpk= 31, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 171, 172,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 119 GLU HB- 113 ALA MB 5.50 (# 32:20 Unique 4.93, 6.45 A)
&rst
ixpk= 32, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1790,1791,
igr2=1728,1729,1730,
&end
#
# 80 LEU MDX 9 ALA HA 4.50 (# 33:20 Unique 2.26, 4.49 A)
&rst
ixpk= 33, nxpk= 20, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1215,1216,1217,1219,1220,1221,
&end
#
# 0 AMB 20-2:34 9 ALA HA 4.50 (# 34:20 Single Ambig)
&rst
ixpk= 34, nxpk= 20, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 116, 117, 118, 120, 121, 122,1213,
&end
#
# 9 ALA MB 9 ALA HA 3.50 (# 35:20 Unique 2.37, 2.66 A)
&rst
ixpk= 35, nxpk= 20, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 130, 131, 132,
&end
#
# 0 AMB 20-2:36 9 ALA HA 3.50 (# 36:20 Single Ambig)
&rst
ixpk= 36, nxpk= 20, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1195,1196, 171, 172,
&end
#
# 12 ARG HB+ 9 ALA HA 3.50 (# 37:20 Unique 2.15, 3.24 A)
&rst
ixpk= 37, nxpk= 20, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 168, 169,
&end
#
# 12 ARG HB- 9 ALA HA 3.50 (# 38:20 Unique 2.15, 3.24 A)
&rst
ixpk= 38, nxpk= 20, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 168, 169,
&end
#
# 79 GLU HG- 9 ALA HA 4.50 (# 39:20 Unique 2.17, 3.83 A)
&rst
ixpk= 39, nxpk= 20, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1198,1199,
&end
#
# 10 ASN HN 9 ALA HA 4.50 (# 40:20 Unique 3.57, 3.62 A)
&rst
ixpk= 40, nxpk= 20, iat= 136, 128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ALA HN 9 ALA HA 4.50 (# 41:20 Unique 2.68, 2.79 A)
&rst
ixpk= 41, nxpk= 20, iat= 126, 128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:42 9 ALA MB 3.50 (# 42:20 Single Ambig)
&rst
ixpk= 42, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1195,1196, 90, 91, 90, 91,
igr2= 130, 131, 132,
&end
#
# 9 ALA HA 9 ALA MB 3.50 (# 43:20 Unique 2.37, 2.66 A)
&rst
ixpk= 43, nxpk= 20, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 130, 131, 132,
&end
#
# 10 ASN HN 9 ALA MB 4.50 (# 44:20 Unique 2.24, 3.42 A)
&rst
ixpk= 44, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 130, 131, 132,
&end
#
# 9 ALA HN 9 ALA MB 3.50 (# 45:20 Unique 2.16, 2.83 A)
&rst
ixpk= 45, nxpk= 20, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 130, 131, 132,
&end
#
# 10 ASN HB- 10 ASN HA 3.50 (# 46:20 Unique 2.44, 2.77 A)
&rst
ixpk= 46, nxpk= 20, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 140, 141,
&end
#
# 13 ALA MB 10 ASN HA 3.50 (# 47:20 Unique 2.54, 3.54 A)
&rst
ixpk= 47, nxpk= 20, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 192, 193, 194,
&end
#
# 121 LEU MDX 10 ASN HA 3.50 (# 48:20 Unique 2.00, 3.98 A)
&rst
ixpk= 48, nxpk= 20, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1824,1825,1826,1828,1829,1830,
&end
#
# 121 LEU HG 10 ASN HA 4.50 (# 49:20 Unique 2.10, 2.42 A)
&rst
ixpk= 49, nxpk= 20, iat=1822, 138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ASN HN 10 ASN HA 3.50 (# 50:20 Unique 2.75, 2.84 A)
&rst
ixpk= 50, nxpk= 20, iat= 136, 138, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 ASN HA 10 ASN HB- 3.50 (# 51:20 Unique 2.44, 2.77 A)
&rst
ixpk= 51, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 140, 141,
&end
#
# 10 ASN HA 10 ASN HB+ 3.50 (# 52:20 Unique 2.44, 2.77 A)
&rst
ixpk= 52, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 140, 141,
&end
#
# 10 ASN HD2+ 10 ASN HB+ 5.50 (# 53:20 Unique 2.17, 3.29 A)
&rst
ixpk= 53, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 145, 146,
igr2= 140, 141,
&end
#
# 10 ASN HD2+ 10 ASN HB- 5.50 (# 54:20 Unique 2.17, 3.29 A)
&rst
ixpk= 54, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 145, 146,
igr2= 140, 141,
&end
#
# 11 THR HN 11 THR HA 4.50 (# 55:20 Unique 2.81, 2.85 A)
&rst
ixpk= 55, nxpk= 20, iat= 150, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 ARG HN 11 THR HA 4.50 (# 56:20 Unique 3.56, 3.59 A)
&rst
ixpk= 56, nxpk= 20, iat= 164, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 THR HB 11 THR HA 4.50 (# 57:20 Unique 3.04, 3.05 A)
&rst
ixpk= 57, nxpk= 20, iat= 154, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:58 11 THR HA 3.50 (# 58:20 Single Ambig)
&rst
ixpk= 58, nxpk= 20, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 202, 203, 202, 203,
&end
#
# 11 THR MG2 11 THR HA 3.50 (# 59:20 Unique 2.47, 3.12 A)
&rst
ixpk= 59, nxpk= 20, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 156, 157, 158,
&end
#
# 14 ARG HG- 11 THR HA 5.50 (# 60:20 Unique 2.43, 4.58 A)
&rst
ixpk= 60, nxpk= 20, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 205, 206,
&end
#
# 13 ALA MB 11 THR HA 5.50 (# 61:20 Unique 5.14, 6.23 A)
&rst
ixpk= 61, nxpk= 20, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 192, 193, 194,
&end
#
# 15 GLU HG+ 11 THR MG2 4.50 (# 63:20 Unique 2.79, 5.24 A)
&rst
ixpk= 63, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 229, 230,
igr2= 156, 157, 158,
&end
#
# 11 THR HA 11 THR MG2 3.50 (# 64:20 Unique 2.47, 3.12 A)
&rst
ixpk= 64, nxpk= 20, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 156, 157, 158,
&end
#
# 11 THR HB 11 THR MG2 3.50 (# 65:20 Unique 2.45, 2.67 A)
&rst
ixpk= 65, nxpk= 20, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 156, 157, 158,
&end
#
# 12 ARG HN 11 THR MG2 4.50 (# 66:20 Unique 3.57, 4.39 A)
&rst
ixpk= 66, nxpk= 20, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 156, 157, 158,
&end
#
# 115 ALA MB 79 GLU HA 3.50 (# 67:20 Unique 2.18, 3.29 A)
&rst
ixpk= 67, nxpk= 20, iat= -1,1193, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1752,1753,1754,
&end
#
# 0 AMB 20-2:69 0 AMB 20-1:69 2.80 (# 69:20 Double Ambig)
&rst
ixpk= 69, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 226, 227,1198,1199,
igr2= 166,1193,
&end
#
# 12 ARG HD- 12 ARG HA 3.50 (# 70:20 Unique 2.10, 3.41 A)
&rst
ixpk= 70, nxpk= 20, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 174, 175,
&end
#
# 12 ARG HD+ 12 ARG HA 3.50 (# 71:20 Unique 2.10, 3.41 A)
&rst
ixpk= 71, nxpk= 20, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 174, 175,
&end
#
# 0 AMB 20-2:72 12 ARG HA 3.50 (# 72:20 Single Ambig)
&rst
ixpk= 72, nxpk= 20, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 164, 237,
&end
#
# 6 GLU HA 6 GLU HB+ 3.50 (# 73:20 Unique 2.37, 2.63 A)
&rst
ixpk= 73, nxpk= 20, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 87, 88,
&end
#
# 12 ARG HA 12 ARG HB+ 4.50 (# 74:20 Unique 2.42, 2.76 A)
&rst
ixpk= 74, nxpk= 20, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 168, 169,
&end
#
# 12 ARG HN 12 ARG HG+ 4.50 (# 75:20 Unique 2.17, 3.00 A)
&rst
ixpk= 75, nxpk= 20, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 171, 172,
&end
#
# 12 ARG HD- 12 ARG HG+ 3.50 (# 76:20 Unique 2.28, 2.71 A)
&rst
ixpk= 76, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 174, 175,
igr2= 171, 172,
&end
#
# 12 ARG HD+ 12 ARG HG+ 4.50 (# 77:20 Unique 2.28, 2.71 A)
&rst
ixpk= 77, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 174, 175,
igr2= 171, 172,
&end
#
# 12 ARG HB- 12 ARG HD+ 4.50 (# 78:20 Unique 2.27, 3.11 A)
&rst
ixpk= 78, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 168, 169,
igr2= 174, 175,
&end
#
# 12 ARG HB- 12 ARG HD- 4.50 (# 79:20 Unique 2.27, 3.11 A)
&rst
ixpk= 79, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 168, 169,
igr2= 174, 175,
&end
#
# 12 ARG HB+ 12 ARG HD- 3.50 (# 80:20 Unique 2.27, 3.11 A)
&rst
ixpk= 80, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 168, 169,
igr2= 174, 175,
&end
#
# 12 ARG HB+ 12 ARG HD+ 3.50 (# 81:20 Unique 2.27, 3.11 A)
&rst
ixpk= 81, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 168, 169,
igr2= 174, 175,
&end
#
# 12 ARG HA 12 ARG HD+ 4.50 (# 82:20 Unique 2.10, 3.41 A)
&rst
ixpk= 82, nxpk= 20, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 174, 175,
&end
#
# 12 ARG HA 12 ARG HD- 4.50 (# 83:20 Unique 2.10, 3.41 A)
&rst
ixpk= 83, nxpk= 20, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 174, 175,
&end
#
# 13 ALA HN 13 ALA HA 4.50 (# 84:20 Unique 2.83, 2.87 A)
&rst
ixpk= 84, nxpk= 20, iat= 188, 190, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 ALA MB 13 ALA HA 3.50 (# 85:20 Unique 2.40, 2.65 A)
&rst
ixpk= 85, nxpk= 20, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 192, 193, 194,
&end
#
# 80 LEU HG 13 ALA HA 4.50 (# 86:20 Unique 2.94, 3.99 A)
&rst
ixpk= 86, nxpk= 20, iat=1213, 190, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 LEU MDX 13 ALA HA 3.50 (# 87:20 Unique 2.13, 3.55 A)
&rst
ixpk= 87, nxpk= 20, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1215,1216,1217,1219,1220,1221,
&end
#
# 16 THR HN 13 ALA HA 4.50 (# 88:20 Unique 3.23, 3.41 A)
&rst
ixpk= 88, nxpk= 20, iat= 237, 190, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 ALA HN 13 ALA HA 6.50 (# 89:20 Unique 3.73, 3.87 A)
&rst
ixpk= 89, nxpk= 20, iat= 251, 190, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 14 ARG HN 14 ARG HA 4.50 (# 91:20 Unique 2.89, 2.91 A)
&rst
ixpk= 91, nxpk= 20, iat= 198, 200, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 GLU HN 14 ARG HA 4.50 (# 92:20 Unique 3.52, 3.53 A)
&rst
ixpk= 92, nxpk= 20, iat= 222, 200, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 ALA HN 14 ARG HA 4.50 (# 93:20 Unique 3.44, 3.54 A)
&rst
ixpk= 93, nxpk= 20, iat= 251, 200, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:94 14 ARG HA 4.50 (# 94:20 Single Ambig)
&rst
ixpk= 94, nxpk= 20, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 208, 209, 208, 209,
&end
#
# 0 AMB 20-2:96 14 ARG HA 3.50 (# 96:20 Single Ambig)
&rst
ixpk= 96, nxpk= 20, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 205, 206, 255, 256, 257,
&end
#
# 0 AMB 20-2:97 14 ARG HA 5.50 (# 97:20 Single Ambig)
&rst
ixpk= 97, nxpk= 20, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1=1876,1877,1878,1880,1881,1882,1215,1216,1217,1219,
1220,1221,2049,
&end
#
# 122 LEU MDX 14 ARG HA 3.50 (# 98:20 Unique 2.36, 3.91 A)
&rst
ixpk= 98, nxpk= 20, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1843,1844,1845,1847,1848,1849,
&end
#
# 31 ALA HN 30 ARG HB- 4.50 (# 99:20 Unique 2.76, 3.49 A)
&rst
ixpk= 99, nxpk= 20, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 447, 448,
&end
#
# 0 AMB 20-2:101 0 AMB 20-1:101 3.50 (# 101:20 Double Ambig)
&rst
ixpk= 101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 208, 209, 208, 209,
igr2= 205, 206, 205, 206,
&end
#
# 14 ARG HA 14 ARG HG+ 3.50 (# 102:20 Unique 2.42, 2.85 A)
&rst
ixpk= 102, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 205, 206,
&end
#
# 19 ARG HA 19 ARG HG+ 3.50 (# 103:20 Unique 2.34, 3.05 A)
&rst
ixpk= 103, nxpk= 20, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 278, 279,
&end
#
# 14 ARG HN 14 ARG HG+ 4.50 (# 104:20 Unique 2.11, 3.02 A)
&rst
ixpk= 104, nxpk= 20, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 205, 206,
&end
#
# 0 AMB 20-2:106 0 AMB 20-1:106 4.50 (# 106:20 Double Ambig)
&rst
ixpk= 106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.76, r4=10.26,
igr1=2049,1215,1216,1217,1219,1220,1221,1876,1877,1878,
1880,1881,1882,
igr2= 208, 209, 208, 209, 69, 70, 69, 70,
&end
#
# 0 AMB 20-2:108 0 AMB 20-1:108 3.50 (# 108:20 Double Ambig)
&rst
ixpk= 108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 202, 203, 202, 203, 202, 203,
igr2= 208, 209, 208, 209, 208, 209,
&end
#
# 15 GLU HN 15 GLU HA 3.50 (# 109:20 Unique 2.85, 2.89 A)
&rst
ixpk= 109, nxpk= 20, iat= 222, 224, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:110 15 GLU HA 4.50 (# 110:20 Single Ambig)
&rst
ixpk= 110, nxpk= 20, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 261, 271,
&end
#
# 14 ARG HN 15 GLU HA 5.50 (# 111:20 Unique 5.34, 5.38 A)
&rst
ixpk= 111, nxpk= 20, iat= 198, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLU HG+ 15 GLU HA 3.50 (# 112:20 Unique 2.39, 2.97 A)
&rst
ixpk= 112, nxpk= 20, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 229, 230,
&end
#
# 15 GLU HG- 15 GLU HA 2.80 (# 113:20 Unique 2.39, 2.97 A)
&rst
ixpk= 113, nxpk= 20, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 229, 230,
&end
#
# 15 GLU HB+ 15 GLU HA 3.50 (# 114:20 Unique 2.45, 2.80 A)
&rst
ixpk= 114, nxpk= 20, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 226, 227,
&end
#
# 15 GLU HN 15 GLU HB- 4.50 (# 116:20 Unique 2.15, 2.82 A)
&rst
ixpk= 116, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 226, 227,
&end
#
# 15 GLU HN 15 GLU HB+ 3.50 (# 117:20 Unique 2.15, 2.82 A)
&rst
ixpk= 117, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 226, 227,
&end
#
# 15 GLU HG+ 15 GLU HB- 3.50 (# 118:20 Unique 2.31, 2.69 A)
&rst
ixpk= 118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 229, 230,
igr2= 226, 227,
&end
#
# 15 GLU HG+ 15 GLU HB+ 3.50 (# 119:20 Unique 2.31, 2.69 A)
&rst
ixpk= 119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 229, 230,
igr2= 226, 227,
&end
#
# 11 THR MG2 15 GLU HG+ 4.50 (# 120:20 Unique 2.79, 5.24 A)
&rst
ixpk= 120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 156, 157, 158,
igr2= 229, 230,
&end
#
# 15 GLU HB+ 15 GLU HG+ 3.50 (# 121:20 Unique 2.31, 2.69 A)
&rst
ixpk= 121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 226, 227,
igr2= 229, 230,
&end
#
# 11 THR MG2 15 GLU HG- 4.50 (# 122:20 Unique 2.79, 5.24 A)
&rst
ixpk= 122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 156, 157, 158,
igr2= 229, 230,
&end
#
# 15 GLU HA 15 GLU HG+ 4.50 (# 123:20 Unique 2.39, 2.97 A)
&rst
ixpk= 123, nxpk= 20, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 229, 230,
&end
#
# 15 GLU HN 15 GLU HG+ 4.50 (# 124:20 Unique 2.29, 3.49 A)
&rst
ixpk= 124, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 229, 230,
&end
#
# 0 AMB 20-2:125 0 AMB 20-1:125 4.50 (# 125:20 Double Ambig)
&rst
ixpk= 125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 222,1758,
igr2= 229, 230,1198,1199,
&end
#
# 16 THR HN 16 THR HA 4.50 (# 126:20 Unique 2.81, 2.84 A)
&rst
ixpk= 126, nxpk= 20, iat= 237, 239, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 THR HB 16 THR HA 4.50 (# 127:20 Unique 3.03, 3.04 A)
&rst
ixpk= 127, nxpk= 20, iat= 241, 239, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 ILE QD1 16 THR MG2 5.50 (# 128:20 Unique 2.56, 4.71 A)
&rst
ixpk= 128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1249,1250,1251,
igr2= 243, 244, 245,
&end
#
# 17 ALA HN 17 ALA HA 3.50 (# 129:20 Unique 2.85, 2.86 A)
&rst
ixpk= 129, nxpk= 20, iat= 251, 253, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:130 17 ALA HA 4.50 (# 130:20 Single Ambig)
&rst
ixpk= 130, nxpk= 20, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 261, 271,
&end
#
# 20 PHE HB- 17 ALA HA 4.50 (# 131:20 Unique 2.34, 3.14 A)
&rst
ixpk= 131, nxpk= 20, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 299, 300,
&end
#
# 20 PHE HB+ 17 ALA HA 4.50 (# 132:20 Unique 2.34, 3.14 A)
&rst
ixpk= 132, nxpk= 20, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 299, 300,
&end
#
# 112 MET ME 17 ALA HA 4.50 (# 133:20 Unique 2.37, 3.78 A)
&rst
ixpk= 133, nxpk= 20, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1718,1719,1720,
&end
#
# 17 ALA MB 17 ALA HA 2.80 (# 134:20 Unique 2.42, 2.66 A)
&rst
ixpk= 134, nxpk= 20, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 255, 256, 257,
&end
#
# 0 AMB 20-2:135 17 ALA HA 3.50 (# 135:20 Single Ambig)
&rst
ixpk= 135, nxpk= 20, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1876,1877,1878,1880,1881,1882,1876,1877,1878,1880,
1881,1882,
&end
#
# 122 LEU MDX 17 ALA HA 5.50 (# 136:20 Unique 4.62, 6.37 A)
&rst
ixpk= 136, nxpk= 20, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1843,1844,1845,1847,1848,1849,
&end
#
# 134 GLN HE2+ 17 ALA MB 4.50 (# 137:20 Unique 2.33, 3.34 A)
&rst
ixpk= 137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2023,2024,
igr2= 255, 256, 257,
&end
#
# 76 TRP HH2 23 ALA MB 4.50 (# 138:20 Unique 2.24, 3.12 A)
&rst
ixpk= 138, nxpk= 20, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 343, 344, 345,
&end
#
# 76 TRP HZ3 23 ALA MB 4.50 (# 139:20 Unique 3.91, 5.00 A)
&rst
ixpk= 139, nxpk= 20, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 343, 344, 345,
&end
#
# 23 ALA HA 23 ALA MB 3.50 (# 140:20 Unique 2.40, 2.65 A)
&rst
ixpk= 140, nxpk= 20, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 343, 344, 345,
&end
#
# 17 ALA HA 17 ALA MB 3.50 (# 141:20 Unique 2.42, 2.66 A)
&rst
ixpk= 141, nxpk= 20, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 255, 256, 257,
&end
#
# 0 AMB 20-2:142 0 AMB 20-1:142 3.50 (# 142:20 Double Ambig)
&rst
ixpk= 142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 297, 200,
igr2= 343, 344, 345, 255, 256, 257,
&end
#
# 0 AMB 20-2:143 17 ALA MB 2.80 (# 143:20 Single Ambig)
&rst
ixpk= 143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1876,1877,1878,1880,1881,1882,1876,1877,1878,1880,
1881,1882,
igr2= 255, 256, 257,
&end
#
# 122 LEU MDX 17 ALA MB 3.50 (# 144:20 Unique 2.36, 4.43 A)
&rst
ixpk= 144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1843,1844,1845,1847,1848,1849,
igr2= 255, 256, 257,
&end
#
# 0 AMB 20-2:145 18 ALA HA 3.50 (# 145:20 Single Ambig)
&rst
ixpk= 145, nxpk= 20, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 261, 271,
&end
#
# 21 THR HN 18 ALA HA 4.50 (# 146:20 Unique 3.28, 3.46 A)
&rst
ixpk= 146, nxpk= 20, iat= 315, 263, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ALA HN 18 ALA HA 4.50 (# 147:20 Unique 4.02, 4.19 A)
&rst
ixpk= 147, nxpk= 20, iat= 329, 263, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 ALA MB 18 ALA HA 2.80 (# 149:20 Unique 2.44, 2.66 A)
&rst
ixpk= 149, nxpk= 20, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 265, 266, 267,
&end
#
# 19 ARG HN 19 ARG HG- 5.50 (# 150:20 Unique 2.38, 3.72 A)
&rst
ixpk= 150, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 278, 279,
&end
#
# 19 ARG HN 19 ARG HG+ 5.50 (# 151:20 Unique 2.38, 3.72 A)
&rst
ixpk= 151, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 278, 279,
&end
#
# 56 PRO HA 0 AMB 20-1:152 3.50 (# 152:20 Single Ambig)
&rst
ixpk= 152, nxpk= 20, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 843, 844, 843, 844,
&end
#
# 19 ARG HA 0 AMB 20-1:153 4.50 (# 153:20 Single Ambig)
&rst
ixpk= 153, nxpk= 20, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 281, 282, 281, 282,
&end
#
# 19 ARG HN 0 AMB 20-1:154 5.50 (# 154:20 Single Ambig)
&rst
ixpk= 154, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 281, 282, 281, 282,
&end
#
# 0 AMB 20-2:155 0 AMB 20-1:155 3.50 (# 155:20 Double Ambig)
&rst
ixpk= 155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 278, 279, 278, 279,
igr2= 281, 282, 281, 282,
&end
#
# 19 ARG HG- 0 AMB 20-1:156 3.50 (# 156:20 Single Ambig)
&rst
ixpk= 156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 278, 279,
igr2= 281, 282, 281, 282,
&end
#
# 0 AMB 20-2:157 0 AMB 20-1:157 3.50 (# 157:20 Double Ambig)
&rst
ixpk= 157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 275, 276, 275, 276,
igr2= 281, 282, 281, 282,
&end
#
# 21 THR HB 21 THR HA 4.50 (# 158:20 Unique 2.67, 3.02 A)
&rst
ixpk= 158, nxpk= 20, iat= 319, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 LEU HN 21 THR HA 4.50 (# 159:20 Unique 3.31, 3.38 A)
&rst
ixpk= 159, nxpk= 20, iat= 349, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 THR HN 21 THR HA 4.50 (# 160:20 Unique 2.81, 2.85 A)
&rst
ixpk= 160, nxpk= 20, iat= 315, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 LEU MDX 21 THR HA 5.50 (# 161:20 Unique 3.30, 5.16 A)
&rst
ixpk= 161, nxpk= 20, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 358, 359, 360, 362, 363, 364,
&end
#
# 22 ALA HN 21 THR HB 5.50 (# 162:20 Unique 2.64, 2.77 A)
&rst
ixpk= 162, nxpk= 20, iat= 329, 319, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 THR HA 21 THR HB 4.50 (# 164:20 Unique 2.67, 3.02 A)
&rst
ixpk= 164, nxpk= 20, iat= 317, 319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 THR MG2 21 THR HB 4.50 (# 165:20 Unique 2.42, 2.67 A)
&rst
ixpk= 165, nxpk= 20, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 321, 322, 323,
&end
#
# 21 THR HN 21 THR MG2 5.50 (# 166:20 Unique 3.01, 4.54 A)
&rst
ixpk= 166, nxpk= 20, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 321, 322, 323,
&end
#
# 22 ALA HN 21 THR MG2 5.50 (# 167:20 Unique 3.81, 4.59 A)
&rst
ixpk= 167, nxpk= 20, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 321, 322, 323,
&end
#
# 130 TRP HZ2 21 THR MG2 5.50 (# 168:20 Unique 3.81, 4.63 A)
&rst
ixpk= 168, nxpk= 20, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 321, 322, 323,
&end
#
# 130 TRP HH2 21 THR MG2 6.50 (# 169:20 Unique 2.23, 3.10 A)
&rst
ixpk= 169, nxpk= 20, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 321, 322, 323,
&end
#
# 130 TRP HZ3 21 THR MG2 5.50 (# 170:20 Unique 2.59, 3.62 A)
&rst
ixpk= 170, nxpk= 20, iat=1959, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 321, 322, 323,
&end
#
# 21 THR HB 21 THR MG2 3.50 (# 173:20 Unique 2.42, 2.67 A)
&rst
ixpk= 173, nxpk= 20, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 321, 322, 323,
&end
#
# 18 ALA HA 21 THR MG2 5.50 (# 174:20 Unique 4.27, 5.07 A)
&rst
ixpk= 174, nxpk= 20, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 321, 322, 323,
&end
#
# 21 THR HA 21 THR MG2 3.50 (# 175:20 Unique 2.38, 3.11 A)
&rst
ixpk= 175, nxpk= 20, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 321, 322, 323,
&end
#
# 0 AMB 20-2:176 21 THR MG2 3.50 (# 176:20 Single Ambig)
&rst
ixpk= 176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 358, 359, 360, 362, 363, 364,1989,1990,1991,1993,
1994,1995,
igr2= 321, 322, 323,
&end
#
# 0 AMB 20-2:177 21 THR MG2 3.50 (# 177:20 Single Ambig)
&rst
ixpk= 177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 358, 359, 360, 362, 363, 364,1876,1877,1878,1880,
1881,1882,1876,1877,1878,1880,1881,1882,
igr2= 321, 322, 323,
&end
#
# 22 ALA HN 22 ALA HA 4.50 (# 178:20 Unique 2.85, 2.87 A)
&rst
ixpk= 178, nxpk= 20, iat= 329, 331, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 GLU HN 22 ALA HA 5.50 (# 179:20 Unique 3.08, 3.21 A)
&rst
ixpk= 179, nxpk= 20, iat= 368, 331, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 GLU HB+ 22 ALA HA 3.50 (# 180:20 Unique 2.61, 2.85 A)
&rst
ixpk= 180, nxpk= 20, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 372, 373,
&end
#
# 23 ALA HN 22 ALA MB 3.50 (# 183:20 Unique 2.69, 3.53 A)
&rst
ixpk= 183, nxpk= 20, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 333, 334, 335,
&end
#
# 22 ALA HN 22 ALA MB 3.50 (# 184:20 Unique 2.48, 2.87 A)
&rst
ixpk= 184, nxpk= 20, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 333, 334, 335,
&end
#
# 23 ALA HN 23 ALA HA 3.50 (# 185:20 Unique 2.85, 2.87 A)
&rst
ixpk= 185, nxpk= 20, iat= 339, 341, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 LEU HN 23 ALA HA 4.50 (# 186:20 Unique 3.23, 3.38 A)
&rst
ixpk= 186, nxpk= 20, iat= 383, 341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 LEU HB- 23 ALA HA 3.50 (# 187:20 Unique 2.12, 2.81 A)
&rst
ixpk= 187, nxpk= 20, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 387, 388,
&end
#
# 26 LEU HB+ 23 ALA HA 3.50 (# 188:20 Unique 2.12, 2.81 A)
&rst
ixpk= 188, nxpk= 20, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 387, 388,
&end
#
# 23 ALA MB 23 ALA HA 2.80 (# 189:20 Unique 2.40, 2.65 A)
&rst
ixpk= 189, nxpk= 20, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 343, 344, 345,
&end
#
# 26 LEU MDY 23 ALA HA 3.50 (# 190:20 Unique 2.26, 4.40 A)
&rst
ixpk= 190, nxpk= 20, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 392, 393, 394, 396, 397, 398,
&end
#
# 24 LEU HN 23 ALA HA 4.50 (# 191:20 Unique 3.53, 3.55 A)
&rst
ixpk= 191, nxpk= 20, iat= 349, 341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 ALA HN 24 LEU HA 4.50 (# 192:20 Unique 2.90, 3.05 A)
&rst
ixpk= 192, nxpk= 20, iat= 402, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 LEU HN 24 LEU HA 4.50 (# 193:20 Unique 2.87, 2.89 A)
&rst
ixpk= 193, nxpk= 20, iat= 349, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 LEU HB- 24 LEU HA 3.50 (# 194:20 Unique 2.46, 2.77 A)
&rst
ixpk= 194, nxpk= 20, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 353, 354,
&end
#
# 24 LEU HG 24 LEU HA 3.50 (# 195:20 Unique 2.90, 3.04 A)
&rst
ixpk= 195, nxpk= 20, iat= 356, 351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 LEU MDY 24 LEU HA 4.50 (# 197:20 Unique 2.19, 3.89 A)
&rst
ixpk= 197, nxpk= 20, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 358, 359, 360, 362, 363, 364,
&end
#
# 24 LEU MDX 24 LEU HA 3.50 (# 198:20 Unique 2.19, 3.89 A)
&rst
ixpk= 198, nxpk= 20, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 358, 359, 360, 362, 363, 364,
&end
#
# 40 ILE QD1 24 LEU HA 4.50 (# 199:20 Unique 2.33, 3.73 A)
&rst
ixpk= 199, nxpk= 20, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 595, 596, 597,
&end
#
# 25 GLU HN 24 LEU HB- 4.50 (# 200:20 Unique 2.71, 3.40 A)
&rst
ixpk= 200, nxpk= 20, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 353, 354,
&end
#
# 24 LEU HN 24 LEU HB- 4.50 (# 201:20 Unique 2.35, 2.44 A)
&rst
ixpk= 201, nxpk= 20, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 353, 354,
&end
#
# 24 LEU HN 24 LEU HB+ 4.50 (# 202:20 Unique 2.35, 2.44 A)
&rst
ixpk= 202, nxpk= 20, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 353, 354,
&end
#
# 130 TRP HZ3 24 LEU HB- 6.50 (# 203:20 Unique 2.14, 3.06 A)
&rst
ixpk= 203, nxpk= 20, iat=1959, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 353, 354,
&end
#
# 0 AMB 20-2:204 24 LEU HB- 3.50 (# 204:20 Single Ambig)
&rst
ixpk= 204, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 317, 351,
igr2= 353, 354,
&end
#
# 0 AMB 20-2:205 0 AMB 20-1:205 4.50 (# 205:20 Double Ambig)
&rst
ixpk= 205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 317, 351,
igr2= 353, 354, 353, 354,
&end
#
# 24 LEU HG 24 LEU HB+ 4.50 (# 206:20 Unique 2.51, 2.81 A)
&rst
ixpk= 206, nxpk= 20, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 353, 354,
&end
#
# 24 LEU MDY 24 LEU HB+ 4.50 (# 207:20 Unique 2.39, 3.28 A)
&rst
ixpk= 207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 358, 359, 360, 362, 363, 364,
igr2= 353, 354,
&end
#
# 0 AMB 20-2:208 0 AMB 20-1:208 5.50 (# 208:20 Double Ambig)
&rst
ixpk= 208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 392, 393, 394, 396, 397, 398, 985, 986, 987, 989,
990, 991,
igr2= 353, 354, 353, 354,
&end
#
# 24 LEU MDY 24 LEU HB- 3.50 (# 209:20 Unique 2.39, 3.28 A)
&rst
ixpk= 209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 358, 359, 360, 362, 363, 364,
igr2= 353, 354,
&end
#
# 130 TRP HZ3 24 LEU HG 6.50 (# 210:20 Unique 2.65, 3.15 A)
&rst
ixpk= 210, nxpk= 20, iat=1959, 356, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 0 AMB 20-2:211 14 ARG HG- 3.50 (# 211:20 Single Ambig)
&rst
ixpk= 211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 208, 209, 208, 209,
igr2= 205, 206,
&end
#
# 24 LEU HA 24 LEU MDX 3.50 (# 212:20 Unique 2.19, 3.89 A)
&rst
ixpk= 212, nxpk= 20, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 358, 359, 360, 362, 363, 364,
&end
#
# 25 GLU HN 25 GLU HA 3.50 (# 213:20 Unique 2.85, 2.87 A)
&rst
ixpk= 213, nxpk= 20, iat= 368, 370, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:214 25 GLU HA 4.50 (# 214:20 Single Ambig)
&rst
ixpk= 214, nxpk= 20, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 383,1955,
&end
#
# 25 GLU HG- 25 GLU HA 3.50 (# 215:20 Unique 2.35, 2.69 A)
&rst
ixpk= 215, nxpk= 20, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 375, 376,
&end
#
# 25 GLU HG+ 25 GLU HA 3.50 (# 216:20 Unique 2.35, 2.69 A)
&rst
ixpk= 216, nxpk= 20, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 375, 376,
&end
#
# 28 ILE QG2 25 GLU HA 4.50 (# 217:20 Unique 4.44, 5.08 A)
&rst
ixpk= 217, nxpk= 20, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 418, 419, 420,
&end
#
# 28 ILE QD1 25 GLU HA 4.50 (# 218:20 Unique 2.28, 3.54 A)
&rst
ixpk= 218, nxpk= 20, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 425, 426, 427,
&end
#
# 0 AMB 20-2:219 0 AMB 20-1:219 4.50 (# 219:20 Double Ambig)
&rst
ixpk= 219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 383,1955,
igr2= 372, 373, 372, 373,
&end
#
# 26 LEU HN 26 LEU HA 3.50 (# 220:20 Unique 2.81, 2.82 A)
&rst
ixpk= 220, nxpk= 20, iat= 383, 385, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 ASP HB- 26 LEU HA 3.50 (# 222:20 Unique 2.40, 3.12 A)
&rst
ixpk= 222, nxpk= 20, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 435, 436,
&end
#
# 26 LEU HB- 26 LEU HA 2.80 (# 223:20 Unique 2.30, 2.67 A)
&rst
ixpk= 223, nxpk= 20, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 387, 388,
&end
#
# 26 LEU HB+ 26 LEU HA 2.80 (# 224:20 Unique 2.30, 2.67 A)
&rst
ixpk= 224, nxpk= 20, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 387, 388,
&end
#
# 26 LEU MDX 26 LEU HA 4.50 (# 225:20 Unique 2.53, 4.19 A)
&rst
ixpk= 225, nxpk= 20, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 392, 393, 394, 396, 397, 398,
&end
#
# 27 ALA HN 26 LEU HB+ 4.50 (# 226:20 Unique 2.56, 3.37 A)
&rst
ixpk= 226, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 387, 388,
&end
#
# 26 LEU HN 26 LEU HB+ 4.50 (# 227:20 Unique 2.03, 2.41 A)
&rst
ixpk= 227, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 387, 388,
&end
#
# 26 LEU HA 26 LEU HB- 3.50 (# 229:20 Unique 2.30, 2.67 A)
&rst
ixpk= 229, nxpk= 20, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 387, 388,
&end
#
# 64 LEU HB+ 64 LEU MDX 3.50 (# 231:20 Unique 2.34, 3.40 A)
&rst
ixpk= 231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 980, 981,
igr2= 985, 986, 987, 989, 990, 991,
&end
#
# 26 LEU HA 26 LEU MDY 4.50 (# 233:20 Unique 2.53, 4.19 A)
&rst
ixpk= 233, nxpk= 20, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 136 LEU HA 136 LEU HG 4.50 (# 234:20 Unique 2.42, 2.88 A)
&rst
ixpk= 234, nxpk= 20, iat=2044,2049, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 LEU HN 100 LEU HG 4.50 (# 235:20 Unique 2.57, 3.17 A)
&rst
ixpk= 235, nxpk= 20, iat=1526,1533, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 LEU HN 26 LEU MDY 4.50 (# 236:20 Unique 4.35, 5.12 A)
&rst
ixpk= 236, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 0 AMB 20-2:238 115 ALA HA 5.50 (# 238:20 Single Ambig)
&rst
ixpk= 238, nxpk= 20, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1779,1758,
&end
#
# 115 ALA HN 115 ALA HA 3.50 (# 239:20 Unique 2.81, 2.85 A)
&rst
ixpk= 239, nxpk= 20, iat=1748,1750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 LEU HA 115 ALA HA 5.50 (# 240:20 Unique 4.18, 4.52 A)
&rst
ixpk= 240, nxpk= 20, iat=1208,1750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 SER HA 115 ALA HA 6.50 (# 241:20 Unique 5.00, 5.31 A)
&rst
ixpk= 241, nxpk= 20, iat=1227,1750, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 0 AMB 20-2:242 115 ALA HA 3.50 (# 242:20 Single Ambig)
&rst
ixpk= 242, nxpk= 20, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1229,1230,1229,1230,
&end
#
# 30 ARG HB+ 27 ALA HA 3.50 (# 243:20 Unique 2.37, 3.31 A)
&rst
ixpk= 243, nxpk= 20, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 447, 448,
&end
#
# 0 AMB 20-2:244 27 ALA HA 3.50 (# 244:20 Single Ambig)
&rst
ixpk= 244, nxpk= 20, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 390,1511,
&end
#
# 27 ALA MB 27 ALA HA 2.80 (# 245:20 Unique 2.43, 2.65 A)
&rst
ixpk= 245, nxpk= 20, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 406, 407, 408,
&end
#
# 115 ALA MB 115 ALA HA 2.80 (# 246:20 Unique 2.42, 2.65 A)
&rst
ixpk= 246, nxpk= 20, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1752,1753,1754,
&end
#
# 28 ILE QD1 28 ILE HA 4.50 (# 247:20 Unique 3.04, 4.62 A)
&rst
ixpk= 247, nxpk= 20, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 425, 426, 427,
&end
#
# 99 ILE QG2 28 ILE HA 3.50 (# 248:20 Unique 2.11, 2.88 A)
&rst
ixpk= 248, nxpk= 20, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1513,1514,1515,
&end
#
# 31 ALA MB 28 ILE HA 3.50 (# 249:20 Unique 2.43, 3.35 A)
&rst
ixpk= 249, nxpk= 20, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 471, 472, 473,
&end
#
# 28 ILE HG1+ 28 ILE HA 3.50 (# 250:20 Unique 2.51, 2.77 A)
&rst
ixpk= 250, nxpk= 20, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 422, 423,
&end
#
# 28 ILE HN 28 ILE HA 3.50 (# 251:20 Unique 2.86, 2.89 A)
&rst
ixpk= 251, nxpk= 20, iat= 412, 414, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 ILE HN 28 ILE HB 3.50 (# 252:20 Unique 2.36, 2.45 A)
&rst
ixpk= 252, nxpk= 20, iat= 412, 416, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 ASP HN 28 ILE HB 4.50 (# 253:20 Unique 2.49, 2.64 A)
&rst
ixpk= 253, nxpk= 20, iat= 431, 416, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 ILE HA 28 ILE HB 4.50 (# 254:20 Unique 3.00, 3.04 A)
&rst
ixpk= 254, nxpk= 20, iat= 414, 416, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 GLU HA 28 ILE HB 4.50 (# 255:20 Unique 2.52, 2.74 A)
&rst
ixpk= 255, nxpk= 20, iat= 370, 416, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 ILE QG2 28 ILE HB 3.50 (# 257:20 Unique 2.43, 2.68 A)
&rst
ixpk= 257, nxpk= 20, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 418, 419, 420,
&end
#
# 28 ILE QD1 28 ILE HB 3.50 (# 258:20 Unique 2.43, 3.14 A)
&rst
ixpk= 258, nxpk= 20, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 425, 426, 427,
&end
#
# 30 ARG HN 29 ASP HA 3.50 (# 259:20 Unique 3.57, 3.59 A)
&rst
ixpk= 259, nxpk= 20, iat= 443, 433, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 ASP HN 29 ASP HB- 4.50 (# 260:20 Unique 2.29, 2.48 A)
&rst
ixpk= 260, nxpk= 20, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 435, 436,
&end
#
# 29 ASP HN 29 ASP HB+ 3.50 (# 261:20 Unique 2.29, 2.48 A)
&rst
ixpk= 261, nxpk= 20, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 435, 436,
&end
#
# 30 ARG HN 29 ASP HB+ 3.50 (# 262:20 Unique 2.51, 3.23 A)
&rst
ixpk= 262, nxpk= 20, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 435, 436,
&end
#
# 44 ASP HN 0 AMB 20-1:263 4.50 (# 263:20 Single Ambig)
&rst
ixpk= 263, nxpk= 20, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 653, 654, 653, 654,
&end
#
# 26 LEU HA 29 ASP HB- 3.50 (# 264:20 Unique 2.40, 3.12 A)
&rst
ixpk= 264, nxpk= 20, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 435, 436,
&end
#
# 26 LEU HA 29 ASP HB+ 3.50 (# 265:20 Unique 2.40, 3.12 A)
&rst
ixpk= 265, nxpk= 20, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 435, 436,
&end
#
# 29 ASP HA 29 ASP HB- 3.50 (# 266:20 Unique 2.37, 2.73 A)
&rst
ixpk= 266, nxpk= 20, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 435, 436,
&end
#
# 29 ASP HA 29 ASP HB+ 3.50 (# 267:20 Unique 2.37, 2.73 A)
&rst
ixpk= 267, nxpk= 20, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 435, 436,
&end
#
# 30 ARG HN 30 ARG HA 3.50 (# 268:20 Unique 2.86, 2.90 A)
&rst
ixpk= 268, nxpk= 20, iat= 443, 445, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 ALA HN 30 ARG HA 4.50 (# 269:20 Unique 3.48, 3.54 A)
&rst
ixpk= 269, nxpk= 20, iat= 467, 445, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ARG HD- 30 ARG HA 4.50 (# 270:20 Unique 2.06, 3.42 A)
&rst
ixpk= 270, nxpk= 20, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 453, 454,
&end
#
# 30 ARG HD+ 30 ARG HA 5.50 (# 271:20 Unique 2.06, 3.42 A)
&rst
ixpk= 271, nxpk= 20, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 453, 454,
&end
#
# 29 ASP HB+ 30 ARG HA 4.50 (# 272:20 Unique 4.44, 5.16 A)
&rst
ixpk= 272, nxpk= 20, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 435, 436,
&end
#
# 30 ARG HB- 30 ARG HA 3.50 (# 273:20 Unique 2.46, 2.80 A)
&rst
ixpk= 273, nxpk= 20, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 447, 448,
&end
#
# 30 ARG HG+ 30 ARG HA 3.50 (# 274:20 Unique 2.30, 3.19 A)
&rst
ixpk= 274, nxpk= 20, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 450, 451,
&end
#
# 30 ARG HG- 30 ARG HA 3.50 (# 275:20 Unique 2.30, 3.19 A)
&rst
ixpk= 275, nxpk= 20, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 450, 451,
&end
#
# 0 AMB 20-2:276 30 ARG HA 5.50 (# 276:20 Single Ambig)
&rst
ixpk= 276, nxpk= 20, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 565, 566, 567, 569, 570, 571, 772, 773, 774, 776,
777, 778,
&end
#
# 33 LEU MDX 30 ARG HA 3.50 (# 277:20 Unique 2.42, 4.69 A)
&rst
ixpk= 277, nxpk= 20, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 500, 501, 502, 504, 505, 506,
&end
#
# 51 VAL MGY 30 ARG HD- 3.50 (# 278:20 Unique 2.40, 5.93 A)
&rst
ixpk= 278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 772, 773, 774, 776, 777, 778,
igr2= 453, 454,
&end
#
# 51 VAL MGY 30 ARG HD+ 3.50 (# 279:20 Unique 2.40, 5.93 A)
&rst
ixpk= 279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 772, 773, 774, 776, 777, 778,
igr2= 453, 454,
&end
#
# 30 ARG HG- 30 ARG HD+ 3.50 (# 280:20 Unique 2.21, 2.70 A)
&rst
ixpk= 280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 450, 451,
igr2= 453, 454,
&end
#
# 30 ARG HG- 30 ARG HD- 3.50 (# 281:20 Unique 2.21, 2.70 A)
&rst
ixpk= 281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 450, 451,
igr2= 453, 454,
&end
#
# 30 ARG HB+ 30 ARG HD+ 4.50 (# 282:20 Unique 2.34, 3.32 A)
&rst
ixpk= 282, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 447, 448,
igr2= 453, 454,
&end
#
# 0 AMB 20-2:283 0 AMB 20-1:283 2.80 (# 283:20 Double Ambig)
&rst
ixpk= 283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 205, 206, 205, 206,
igr2= 208, 209, 208, 209,
&end
#
# 31 ALA HN 31 ALA MB 3.50 (# 284:20 Unique 2.34, 2.90 A)
&rst
ixpk= 284, nxpk= 20, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 471, 472, 473,
&end
#
# 0 AMB 20-2:285 31 ALA MB 4.50 (# 285:20 Single Ambig)
&rst
ixpk= 285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 528, 510,
igr2= 471, 472, 473,
&end
#
# 32 THR HN 31 ALA MB 3.50 (# 286:20 Unique 2.54, 3.60 A)
&rst
ixpk= 286, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 471, 472, 473,
&end
#
# 37 PRO HA 31 ALA MB 4.50 (# 287:20 Unique 2.41, 3.48 A)
&rst
ixpk= 287, nxpk= 20, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 471, 472, 473,
&end
#
# 31 ALA HA 31 ALA MB 3.50 (# 288:20 Unique 2.35, 2.66 A)
&rst
ixpk= 288, nxpk= 20, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 471, 472, 473,
&end
#
# 32 THR HA 31 ALA MB 4.50 (# 289:20 Unique 4.19, 5.03 A)
&rst
ixpk= 289, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 471, 472, 473,
&end
#
# 101 ALA HA 31 ALA MB 4.50 (# 290:20 Unique 2.38, 3.14 A)
&rst
ixpk= 290, nxpk= 20, iat=1547, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 471, 472, 473,
&end
#
# 28 ILE HA 31 ALA MB 4.50 (# 291:20 Unique 2.43, 3.35 A)
&rst
ixpk= 291, nxpk= 20, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 471, 472, 473,
&end
#
# 30 ARG HB+ 31 ALA MB 4.50 (# 292:20 Unique 4.35, 5.82 A)
&rst
ixpk= 292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 447, 448,
igr2= 471, 472, 473,
&end
#
# 0 AMB 20-2:293 31 ALA MB 4.50 (# 293:20 Single Ambig)
&rst
ixpk= 293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 563,1511,
igr2= 471, 472, 473,
&end
#
# 38 VAL MGY 31 ALA MB 3.50 (# 294:20 Unique 2.13, 5.03 A)
&rst
ixpk= 294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 565, 566, 567, 569, 570, 571,
igr2= 471, 472, 473,
&end
#
# 99 ILE QG2 31 ALA MB 3.50 (# 295:20 Unique 2.87, 4.26 A)
&rst
ixpk= 295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1513,1514,1515,
igr2= 471, 472, 473,
&end
#
# 0 AMB 20-2:296 32 THR HA 4.50 (# 296:20 Single Ambig)
&rst
ixpk= 296, nxpk= 20, iat= -1, 479, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 491, 510, 528,
&end
#
# 32 THR HN 32 THR HA 3.50 (# 297:20 Unique 2.90, 2.94 A)
&rst
ixpk= 297, nxpk= 20, iat= 477, 479, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 THR HB 32 THR HA 2.80 (# 298:20 Unique 2.43, 2.46 A)
&rst
ixpk= 298, nxpk= 20, iat= 481, 479, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 101 ALA MB 32 THR HA 3.50 (# 300:20 Unique 2.21, 3.09 A)
&rst
ixpk= 300, nxpk= 20, iat= -1, 479, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1549,1550,1551,
&end
#
# 0 AMB 20-2:301 32 THR HB 3.50 (# 301:20 Single Ambig)
&rst
ixpk= 301, nxpk= 20, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 483, 484, 485,1549,1550,1551,
&end
#
# 32 THR HA 32 THR HB 2.80 (# 303:20 Unique 2.43, 2.46 A)
&rst
ixpk= 303, nxpk= 20, iat= 479, 481, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 33 LEU HN 32 THR MG2 4.50 (# 304:20 Unique 2.62, 3.41 A)
&rst
ixpk= 304, nxpk= 20, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 483, 484, 485,
&end
#
# 32 THR HN 32 THR MG2 4.50 (# 305:20 Unique 2.27, 3.19 A)
&rst
ixpk= 305, nxpk= 20, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 483, 484, 485,
&end
#
# 0 AMB 20-2:306 32 THR MG2 3.50 (# 306:20 Single Ambig)
&rst
ixpk= 306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 433, 481,
igr2= 483, 484, 485,
&end
#
# 32 THR HA 32 THR MG2 3.50 (# 307:20 Unique 3.72, 3.95 A)
&rst
ixpk= 307, nxpk= 20, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 483, 484, 485,
&end
#
# 0 AMB 20-2:308 33 LEU HB- 3.50 (# 308:20 Single Ambig)
&rst
ixpk= 308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 491, 510,
igr2= 495, 496,
&end
#
# 0 AMB 20-2:309 0 AMB 20-1:309 3.50 (# 309:20 Double Ambig)
&rst
ixpk= 309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 491, 510,
igr2= 495, 496, 495, 496,
&end
#
# 33 LEU HA 33 LEU HB- 3.50 (# 310:20 Unique 2.28, 2.73 A)
&rst
ixpk= 310, nxpk= 20, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 495, 496,
&end
#
# 30 ARG HA 33 LEU HB+ 4.50 (# 311:20 Unique 2.34, 3.43 A)
&rst
ixpk= 311, nxpk= 20, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 495, 496,
&end
#
# 33 LEU HA 33 LEU HB+ 3.50 (# 312:20 Unique 2.28, 2.73 A)
&rst
ixpk= 312, nxpk= 20, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 495, 496,
&end
#
# 33 LEU MDX 33 LEU HB- 3.50 (# 313:20 Unique 2.31, 3.31 A)
&rst
ixpk= 313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 500, 501, 502, 504, 505, 506,
igr2= 495, 496,
&end
#
# 33 LEU MDX 33 LEU HB+ 2.80 (# 314:20 Unique 2.31, 3.31 A)
&rst
ixpk= 314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 500, 501, 502, 504, 505, 506,
igr2= 495, 496,
&end
#
# 31 ALA HN 33 LEU HG 5.50 (# 315:20 Unique 4.83, 5.49 A)
&rst
ixpk= 315, nxpk= 20, iat= 467, 498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 ASP HN 132 LEU MDY 4.50 (# 316:20 Unique 3.36, 5.05 A)
&rst
ixpk= 316, nxpk= 20, iat=1999, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 0 AMB 20-2:318 34 SER HB- 4.50 (# 318:20 Single Ambig)
&rst
ixpk= 318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 510, 528,
igr2= 514, 515,
&end
#
# 0 AMB 20-2:319 0 AMB 20-1:319 4.50 (# 319:20 Double Ambig)
&rst
ixpk= 319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 510, 528,
igr2= 514, 515, 514, 515,
&end
#
# 100 LEU HA 37 PRO HB- 4.50 (# 326:20 Unique 2.41, 3.76 A)
&rst
ixpk= 326, nxpk= 20, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 552, 553,
&end
#
# 37 PRO HD- 37 PRO HB+ 4.50 (# 327:20 Unique 2.74, 3.65 A)
&rst
ixpk= 327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 546, 547,
igr2= 552, 553,
&end
#
# 37 PRO HG- 37 PRO HB- 2.80 (# 328:20 Unique 2.37, 2.63 A)
&rst
ixpk= 328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 549, 550,
igr2= 552, 553,
&end
#
# 105 ILE QD1 0 AMB 20-1:330 3.50 (# 330:20 Single Ambig)
&rst
ixpk= 330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1604,1605,1606,
igr2=1601,1602,1601,1602,
&end
#
# 38 VAL HN 38 VAL HB 4.50 (# 333:20 Unique 2.45, 2.58 A)
&rst
ixpk= 333, nxpk= 20, iat= 559, 563, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 ALA MB 38 VAL HB 4.50 (# 335:20 Unique 2.55, 4.07 A)
&rst
ixpk= 335, nxpk= 20, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 406, 407, 408,
&end
#
# 31 ALA MB 38 VAL HB 4.50 (# 336:20 Unique 2.19, 3.62 A)
&rst
ixpk= 336, nxpk= 20, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 471, 472, 473,
&end
#
# 38 VAL MGX 38 VAL HB 3.50 (# 337:20 Unique 2.31, 2.67 A)
&rst
ixpk= 337, nxpk= 20, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 565, 566, 567, 569, 570, 571,
&end
#
# 0 AMB 20-2:338 38 VAL HB 2.80 (# 338:20 Single Ambig)
&rst
ixpk= 338, nxpk= 20, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 565, 566, 567, 569, 570, 571, 772, 773, 774, 776,
777, 778,
&end
#
# 99 ILE QD1 38 VAL HB 3.50 (# 339:20 Unique 3.23, 4.60 A)
&rst
ixpk= 339, nxpk= 20, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1520,1521,1522,
&end
#
# 30 ARG HD+ 38 VAL MGY 4.50 (# 340:20 Unique 3.57, 6.02 A)
&rst
ixpk= 340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 453, 454,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 38 VAL HB 38 VAL MGY 3.50 (# 341:20 Unique 2.31, 2.67 A)
&rst
ixpk= 341, nxpk= 20, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 38 VAL HB 38 VAL MGX 3.50 (# 342:20 Unique 2.31, 2.67 A)
&rst
ixpk= 342, nxpk= 20, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 30 ARG HB+ 38 VAL MGY 3.50 (# 343:20 Unique 2.26, 3.96 A)
&rst
ixpk= 343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 447, 448,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 27 ALA MB 38 VAL MGX 3.50 (# 344:20 Unique 2.37, 4.94 A)
&rst
ixpk= 344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 406, 407, 408,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 27 ALA MB 38 VAL MGY 3.50 (# 345:20 Unique 2.37, 4.94 A)
&rst
ixpk= 345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 406, 407, 408,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 0 AMB 20-2:346 38 VAL MGX 3.50 (# 346:20 Single Ambig)
&rst
ixpk= 346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 736, 737, 738, 592, 593,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 40 ILE HN 40 ILE HB 4.50 (# 355:20 Unique 2.77, 2.85 A)
&rst
ixpk= 355, nxpk= 20, iat= 582, 586, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 PHE HE 40 ILE HB 4.50 (# 356:20 Unique 2.19, 4.30 A)
&rst
ixpk= 356, nxpk= 20, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 628, 632,
&end
#
# 97 VAL HB 40 ILE HB 3.50 (# 358:20 Unique 2.20, 2.29 A)
&rst
ixpk= 358, nxpk= 20, iat=1479, 586, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 ILE HG1- 40 ILE HB 4.50 (# 359:20 Unique 2.43, 2.76 A)
&rst
ixpk= 359, nxpk= 20, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 592, 593,
&end
#
# 0 AMB 20-2:360 40 ILE HB 3.50 (# 360:20 Single Ambig)
&rst
ixpk= 360, nxpk= 20, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 592, 593,1481,1482,1483,1485,1486,1487,
&end
#
# 40 ILE QD1 40 ILE HB 3.50 (# 361:20 Unique 2.52, 3.23 A)
&rst
ixpk= 361, nxpk= 20, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 595, 596, 597,
&end
#
# 40 ILE QG2 40 ILE HB 3.50 (# 362:20 Unique 2.44, 2.68 A)
&rst
ixpk= 362, nxpk= 20, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 588, 589, 590,
&end
#
# 82 ILE HG1+ 110 LEU HG 4.50 (# 363:20 Unique 4.06, 4.91 A)
&rst
ixpk= 363, nxpk= 20, iat= -1,1676, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1246,1247,
&end
#
# 40 ILE QG2 40 ILE HG1+ 4.50 (# 365:20 Unique 2.55, 3.58 A)
&rst
ixpk= 365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 588, 589, 590,
igr2= 592, 593,
&end
#
# 40 ILE QD1 40 ILE HG1+ 4.50 (# 366:20 Unique 2.35, 2.65 A)
&rst
ixpk= 366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 595, 596, 597,
igr2= 592, 593,
&end
#
# 40 ILE QD1 40 ILE HG1- 3.50 (# 367:20 Unique 2.35, 2.65 A)
&rst
ixpk= 367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 595, 596, 597,
igr2= 592, 593,
&end
#
# 40 ILE HB 40 ILE HG1+ 3.50 (# 370:20 Unique 2.43, 2.76 A)
&rst
ixpk= 370, nxpk= 20, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 592, 593,
&end
#
# 0 AMB 20-2:373 40 ILE QD1 6.50 (# 373:20 Single Ambig)
&rst
ixpk= 373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 582, 618,
igr2= 595, 596, 597,
&end
#
# 20 PHE HZ 40 ILE QD1 5.50 (# 374:20 Unique 2.59, 4.21 A)
&rst
ixpk= 374, nxpk= 20, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 595, 596, 597,
&end
#
# 20 PHE HE 40 ILE QD1 4.50 (# 375:20 Unique 2.20, 4.53 A)
&rst
ixpk= 375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 305, 309,
igr2= 595, 596, 597,
&end
#
# 0 AMB 20-2:377 40 ILE QD1 4.50 (# 377:20 Single Ambig)
&rst
ixpk= 377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 353, 354,1479,
igr2= 595, 596, 597,
&end
#
# 40 ILE HB 40 ILE QD1 3.50 (# 378:20 Unique 2.52, 3.23 A)
&rst
ixpk= 378, nxpk= 20, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 595, 596, 597,
&end
#
# 40 ILE HG1- 40 ILE QD1 3.50 (# 379:20 Unique 2.35, 2.65 A)
&rst
ixpk= 379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 592, 593,
igr2= 595, 596, 597,
&end
#
# 0 AMB 20-2:380 40 ILE QD1 3.50 (# 380:20 Single Ambig)
&rst
ixpk= 380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 592, 593, 358, 359, 360, 362, 363, 364,
igr2= 595, 596, 597,
&end
#
# 40 ILE QG2 40 ILE QD1 4.50 (# 381:20 Unique 2.23, 3.71 A)
&rst
ixpk= 381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 588, 589, 590,
igr2= 595, 596, 597,
&end
#
# 40 ILE HN 41 HIS HA 5.50 (# 382:20 Unique 4.79, 4.93 A)
&rst
ixpk= 382, nxpk= 20, iat= 582, 603, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 SER HN 42 PHE HA 4.50 (# 383:20 Unique 2.07, 2.15 A)
&rst
ixpk= 383, nxpk= 20, iat= 638, 620, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 LEU MDY 42 PHE HB+ 5.50 (# 384:20 Unique 2.21, 4.42 A)
&rst
ixpk= 384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1281,1282,1283,1285,1286,1287,
igr2= 622, 623,
&end
#
# 42 PHE HA 42 PHE HB+ 5.50 (# 385:20 Unique 2.45, 2.78 A)
&rst
ixpk= 385, nxpk= 20, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 622, 623,
&end
#
# 0 AMB 20-2:386 43 SER HA 4.50 (# 386:20 Single Ambig)
&rst
ixpk= 386, nxpk= 20, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 649, 638,
&end
#
# 43 SER HB- 43 SER HA 3.50 (# 388:20 Unique 2.29, 2.54 A)
&rst
ixpk= 388, nxpk= 20, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 642, 643,
&end
#
# 89 PRO HB+ 43 SER HA 4.50 (# 389:20 Unique 2.42, 4.07 A)
&rst
ixpk= 389, nxpk= 20, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1371,1372,
&end
#
# 89 PRO HB- 43 SER HA 4.50 (# 390:20 Unique 2.42, 4.07 A)
&rst
ixpk= 390, nxpk= 20, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1371,1372,
&end
#
# 0 AMB 20-2:391 0 AMB 20-1:391 5.50 (# 391:20 Double Ambig)
&rst
ixpk= 391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 649, 638,
igr2= 642, 643, 642, 643,
&end
#
# 43 SER HA 43 SER HB+ 4.50 (# 392:20 Unique 2.29, 2.54 A)
&rst
ixpk= 392, nxpk= 20, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 642, 643,
&end
#
# 44 ASP HN 44 ASP HA 4.50 (# 393:20 Unique 2.23, 2.85 A)
&rst
ixpk= 393, nxpk= 20, iat= 649, 651, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:394 44 ASP HA 4.50 (# 394:20 Single Ambig)
&rst
ixpk= 394, nxpk= 20, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 653, 654, 653, 654,
&end
#
# 105 ILE HB 104 GLN HA 5.50 (# 395:20 Unique 4.36, 4.66 A)
&rst
ixpk= 395, nxpk= 20, iat=1595,1576, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 GLN HG- 104 GLN HA 4.50 (# 396:20 Unique 2.53, 2.94 A)
&rst
ixpk= 396, nxpk= 20, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1581,1582,
&end
#
# 104 GLN HG+ 104 GLN HA 5.50 (# 397:20 Unique 2.53, 2.94 A)
&rst
ixpk= 397, nxpk= 20, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1581,1582,
&end
#
# 105 ILE HA 104 GLN HA 5.50 (# 398:20 Unique 4.42, 4.49 A)
&rst
ixpk= 398, nxpk= 20, iat=1593,1576, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 GLN HN 104 GLN HA 5.50 (# 399:20 Unique 2.92, 2.95 A)
&rst
ixpk= 399, nxpk= 20, iat=1574,1576, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 ILE HN 104 GLN HA 4.50 (# 400:20 Unique 2.16, 2.22 A)
&rst
ixpk= 400, nxpk= 20, iat=1591,1576, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 ALA HN 46 ALA HA 5.50 (# 401:20 Unique 2.90, 2.96 A)
&rst
ixpk= 401, nxpk= 20, iat= 672, 674, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 TRP HN 46 ALA HA 4.50 (# 403:20 Unique 2.18, 2.37 A)
&rst
ixpk= 403, nxpk= 20, iat= 682, 674, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 ALA MB 46 ALA HA 3.50 (# 404:20 Unique 2.42, 2.67 A)
&rst
ixpk= 404, nxpk= 20, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 676, 677, 678,
&end
#
# 74 ASN HN 46 ALA MB 4.50 (# 405:20 Unique 2.63, 4.50 A)
&rst
ixpk= 405, nxpk= 20, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 676, 677, 678,
&end
#
# 46 ALA HN 46 ALA MB 4.50 (# 406:20 Unique 2.53, 3.31 A)
&rst
ixpk= 406, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 676, 677, 678,
&end
#
# 47 TRP HN 46 ALA MB 4.50 (# 407:20 Unique 2.19, 3.41 A)
&rst
ixpk= 407, nxpk= 20, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 676, 677, 678,
&end
#
# 49 ILE HG1+ 49 ILE HB 4.50 (# 408:20 Unique 2.32, 2.48 A)
&rst
ixpk= 408, nxpk= 20, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 740, 741,
&end
#
# 76 TRP HZ3 49 ILE QD1 6.50 (# 409:20 Unique 4.69, 6.87 A)
&rst
ixpk= 409, nxpk= 20, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 743, 744, 745,
&end
#
# 49 ILE HB 49 ILE QD1 4.50 (# 410:20 Unique 2.67, 3.86 A)
&rst
ixpk= 410, nxpk= 20, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 743, 744, 745,
&end
#
# 49 ILE HG1- 49 ILE QD1 3.50 (# 411:20 Unique 2.37, 2.66 A)
&rst
ixpk= 411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 740, 741,
igr2= 743, 744, 745,
&end
#
# 23 ALA MB 49 ILE QD1 3.50 (# 412:20 Unique 2.25, 4.27 A)
&rst
ixpk= 412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 343, 344, 345,
igr2= 743, 744, 745,
&end
#
# 0 AMB 20-2:413 49 ILE QD1 4.50 (# 413:20 Single Ambig)
&rst
ixpk= 413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 586, 353, 354,
igr2= 743, 744, 745,
&end
#
# 50 MET HN 49 ILE QG2 4.50 (# 414:20 Unique 2.42, 3.17 A)
&rst
ixpk= 414, nxpk= 20, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 736, 737, 738,
&end
#
# 50 MET HG+ 49 ILE QG2 5.50 (# 415:20 Unique 5.12, 6.24 A)
&rst
ixpk= 415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 756, 757,
igr2= 736, 737, 738,
&end
#
# 49 ILE HB 49 ILE QG2 3.50 (# 416:20 Unique 2.41, 2.67 A)
&rst
ixpk= 416, nxpk= 20, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 736, 737, 738,
&end
#
# 49 ILE HG1- 49 ILE QG2 3.50 (# 417:20 Unique 2.35, 3.55 A)
&rst
ixpk= 417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 740, 741,
igr2= 736, 737, 738,
&end
#
# 0 AMB 20-2:418 49 ILE QG2 5.50 (# 418:20 Single Ambig)
&rst
ixpk= 418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 586,1517,1518,
igr2= 736, 737, 738,
&end
#
# 51 VAL HN 50 MET HA 3.50 (# 420:20 Unique 2.10, 2.22 A)
&rst
ixpk= 420, nxpk= 20, iat= 766, 751, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 MET HN 50 MET HA 5.50 (# 421:20 Unique 2.97, 2.98 A)
&rst
ixpk= 421, nxpk= 20, iat= 749, 751, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 LEU HN 50 MET HA 5.50 (# 422:20 Unique 2.16, 2.66 A)
&rst
ixpk= 422, nxpk= 20, iat= 976, 751, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 PRO HA 50 MET HA 4.50 (# 423:20 Unique 2.41, 2.71 A)
&rst
ixpk= 423, nxpk= 20, iat= 972, 751, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 MET HG+ 50 MET HA 4.50 (# 424:20 Unique 2.39, 2.76 A)
&rst
ixpk= 424, nxpk= 20, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 756, 757,
&end
#
# 64 LEU HB- 50 MET HA 5.50 (# 425:20 Unique 2.46, 3.50 A)
&rst
ixpk= 425, nxpk= 20, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 980, 981,
&end
#
# 50 MET HB- 50 MET HA 4.50 (# 426:20 Unique 2.42, 2.76 A)
&rst
ixpk= 426, nxpk= 20, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 753, 754,
&end
#
# 51 VAL MGX 50 MET HA 4.50 (# 427:20 Unique 3.22, 4.75 A)
&rst
ixpk= 427, nxpk= 20, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 772, 773, 774, 776, 777, 778,
&end
#
# 50 MET HB- 50 MET HG- 4.50 (# 428:20 Unique 2.36, 2.77 A)
&rst
ixpk= 428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 753, 754,
igr2= 756, 757,
&end
#
# 50 MET HB- 50 MET HG+ 4.50 (# 429:20 Unique 2.36, 2.77 A)
&rst
ixpk= 429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 753, 754,
igr2= 756, 757,
&end
#
# 50 MET HA 50 MET HG+ 5.50 (# 430:20 Unique 2.39, 2.76 A)
&rst
ixpk= 430, nxpk= 20, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 756, 757,
&end
#
# 63 PRO HA 50 MET HG+ 3.50 (# 431:20 Unique 1.96, 2.92 A)
&rst
ixpk= 431, nxpk= 20, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 756, 757,
&end
#
# 52 PRO HD- 51 VAL HA 3.50 (# 434:20 Unique 2.00, 2.57 A)
&rst
ixpk= 434, nxpk= 20, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 783, 784,
&end
#
# 52 PRO HD+ 51 VAL HA 4.50 (# 435:20 Unique 2.00, 2.57 A)
&rst
ixpk= 435, nxpk= 20, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 783, 784,
&end
#
# 51 VAL HB 51 VAL HA 3.50 (# 436:20 Unique 2.36, 2.53 A)
&rst
ixpk= 436, nxpk= 20, iat= 770, 768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:437 51 VAL HA 3.50 (# 437:20 Single Ambig)
&rst
ixpk= 437, nxpk= 20, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 772, 773, 774, 776, 777, 778, 565, 566, 567, 569,
570, 571,
&end
#
# 51 VAL MGX 51 VAL HA 4.50 (# 438:20 Unique 2.30, 3.48 A)
&rst
ixpk= 438, nxpk= 20, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 772, 773, 774, 776, 777, 778,
&end
#
# 51 VAL MGX 51 VAL HB 3.50 (# 439:20 Unique 2.32, 2.64 A)
&rst
ixpk= 439, nxpk= 20, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 772, 773, 774, 776, 777, 778,
&end
#
# 0 AMB 20-2:440 51 VAL HB 3.50 (# 440:20 Single Ambig)
&rst
ixpk= 440, nxpk= 20, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 772, 773, 774, 776, 777, 778, 565, 566, 567, 569,
570, 571,
&end
#
# 52 PRO HD+ 51 VAL HB 4.50 (# 441:20 Unique 2.08, 3.02 A)
&rst
ixpk= 441, nxpk= 20, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 783, 784,
&end
#
# 52 PRO HD- 51 VAL HB 4.50 (# 442:20 Unique 2.08, 3.02 A)
&rst
ixpk= 442, nxpk= 20, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 783, 784,
&end
#
# 51 VAL HA 51 VAL HB 4.50 (# 443:20 Unique 2.36, 2.53 A)
&rst
ixpk= 443, nxpk= 20, iat= 768, 770, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 VAL HB 51 VAL MGX 3.50 (# 444:20 Unique 2.32, 2.64 A)
&rst
ixpk= 444, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 64 LEU HA 51 VAL MGX 4.50 (# 446:20 Unique 2.23, 4.30 A)
&rst
ixpk= 446, nxpk= 20, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 61 TRP HA 51 VAL MGX 5.50 (# 447:20 Unique 5.18, 6.87 A)
&rst
ixpk= 447, nxpk= 20, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 0 AMB 20-2:449 51 VAL MGX 5.50 (# 449:20 Single Ambig)
&rst
ixpk= 449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 976, 995,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 51 VAL HN 51 VAL MGX 4.50 (# 450:20 Unique 2.18, 3.64 A)
&rst
ixpk= 450, nxpk= 20, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 62 VAL MGY 51 VAL MGY 3.50 (# 451:20 Unique 2.47, 6.60 A)
&rst
ixpk= 451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 952, 953, 954, 956, 957, 958,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 51 VAL HB 51 VAL MGY 3.50 (# 452:20 Unique 2.32, 2.64 A)
&rst
ixpk= 452, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 52 PRO HD+ 51 VAL MGY 4.50 (# 453:20 Unique 2.05, 4.47 A)
&rst
ixpk= 453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 783, 784,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 64 LEU HA 51 VAL MGY 4.50 (# 454:20 Unique 2.23, 4.30 A)
&rst
ixpk= 454, nxpk= 20, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 51 VAL HA 51 VAL MGY 4.50 (# 455:20 Unique 2.30, 3.48 A)
&rst
ixpk= 455, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 52 PRO HG- 52 PRO HB- 4.50 (# 456:20 Unique 2.23, 2.63 A)
&rst
ixpk= 456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 786, 787,
igr2= 789, 790,
&end
#
# 52 PRO HG+ 52 PRO HB+ 4.50 (# 457:20 Unique 2.23, 2.63 A)
&rst
ixpk= 457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 786, 787,
igr2= 789, 790,
&end
#
# 0 AMB 20-2:458 54 LYS HB- 3.50 (# 458:20 Single Ambig)
&rst
ixpk= 458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 810, 811, 810, 811,
igr2= 807, 808,
&end
#
# 0 AMB 20-2:459 0 AMB 20-1:459 3.50 (# 459:20 Double Ambig)
&rst
ixpk= 459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 810, 811, 810, 811,
igr2= 807, 808, 807, 808,
&end
#
# 54 LYS HA 54 LYS HB- 3.50 (# 460:20 Unique 2.37, 2.74 A)
&rst
ixpk= 460, nxpk= 20, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 807, 808,
&end
#
# 54 LYS HA 54 LYS HB+ 4.50 (# 461:20 Unique 2.37, 2.74 A)
&rst
ixpk= 461, nxpk= 20, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 807, 808,
&end
#
# 56 PRO HA 56 PRO HB+ 2.80 (# 468:20 Unique 2.27, 2.53 A)
&rst
ixpk= 468, nxpk= 20, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 846, 847,
&end
#
# 37 PRO HB- 37 PRO HG+ 2.80 (# 473:20 Unique 2.37, 2.63 A)
&rst
ixpk= 473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 552, 553,
igr2= 549, 550,
&end
#
# 57 SER HA 57 SER HB- 3.50 (# 474:20 Unique 2.44, 2.75 A)
&rst
ixpk= 474, nxpk= 20, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 857, 858,
&end
#
# 57 SER HA 57 SER HB+ 4.50 (# 475:20 Unique 2.44, 2.75 A)
&rst
ixpk= 475, nxpk= 20, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 857, 858,
&end
#
# 59 TRP HN 58 ALA MB 3.50 (# 476:20 Unique 2.09, 3.48 A)
&rst
ixpk= 476, nxpk= 20, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 868, 869, 870,
&end
#
# 58 ALA HA 58 ALA MB 3.50 (# 477:20 Unique 2.40, 2.66 A)
&rst
ixpk= 477, nxpk= 20, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 868, 869, 870,
&end
#
# 59 TRP HA 59 TRP HB- 4.50 (# 478:20 Unique 2.17, 2.66 A)
&rst
ixpk= 478, nxpk= 20, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 878, 879,
&end
#
# 59 TRP HA 59 TRP HB+ 4.50 (# 479:20 Unique 2.17, 2.66 A)
&rst
ixpk= 479, nxpk= 20, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 878, 879,
&end
#
# 111 LEU MDX 120 PRO HB+ 4.50 (# 481:20 Unique 2.17, 4.25 A)
&rst
ixpk= 481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1697,1698,1699,1701,1702,1703,
igr2=1808,1809,
&end
#
# 111 LEU MDY 120 PRO HB+ 4.50 (# 482:20 Unique 2.17, 4.25 A)
&rst
ixpk= 482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1697,1698,1699,1701,1702,1703,
igr2=1808,1809,
&end
#
# 0 AMB 20-2:483 0 AMB 20-1:483 6.50 (# 483:20 Double Ambig)
&rst
ixpk= 483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.26, r4=13.76,
igr1= 772, 773, 774, 776, 777, 778, 565, 566, 567, 569,
570, 571,
igr2= 902, 903, 902, 903, 902, 903,
&end
#
# 137 ALA MB 120 PRO HB+ 3.50 (# 484:20 Unique 2.34, 4.36 A)
&rst
ixpk= 484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2065,2066,2067,
igr2=1808,1809,
&end
#
# 0 AMB 20-2:485 97 VAL HA 4.50 (# 485:20 Single Ambig)
&rst
ixpk= 485, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1475,1646,1654,
&end
#
# 98 VAL HB 97 VAL HA 4.50 (# 486:20 Unique 4.51, 4.54 A)
&rst
ixpk= 486, nxpk= 20, iat=1495,1477, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 VAL MGX 97 VAL HA 3.50 (# 487:20 Unique 2.37, 3.16 A)
&rst
ixpk= 487, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 97 VAL MGY 97 VAL HA 3.50 (# 488:20 Unique 2.37, 3.16 A)
&rst
ixpk= 488, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 97 VAL MGY 97 VAL HB 3.50 (# 489:20 Unique 2.42, 2.66 A)
&rst
ixpk= 489, nxpk= 20, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 97 VAL MGX 97 VAL HB 2.80 (# 490:20 Unique 2.42, 2.66 A)
&rst
ixpk= 490, nxpk= 20, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 40 ILE HB 97 VAL HB 3.50 (# 491:20 Unique 2.20, 2.29 A)
&rst
ixpk= 491, nxpk= 20, iat= 586,1479, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 VAL HA 97 VAL HB 4.50 (# 492:20 Unique 3.02, 3.04 A)
&rst
ixpk= 492, nxpk= 20, iat=1477,1479, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 PHE HE 97 VAL HB 4.50 (# 493:20 Unique 2.36, 4.89 A)
&rst
ixpk= 493, nxpk= 20, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 628, 632,
&end
#
# 97 VAL HN 97 VAL HB 4.50 (# 494:20 Unique 2.25, 2.41 A)
&rst
ixpk= 494, nxpk= 20, iat=1475,1479, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 VAL HN 97 VAL MGY 4.50 (# 495:20 Unique 2.72, 4.14 A)
&rst
ixpk= 495, nxpk= 20, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 109 SER HN 97 VAL MGY 6.50 (# 496:20 Unique 5.69, 7.62 A)
&rst
ixpk= 496, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 0 AMB 20-2:497 97 VAL MGY 4.50 (# 497:20 Single Ambig)
&rst
ixpk= 497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1475,1646,1654,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 108 PHE HE 97 VAL MGY 4.50 (# 499:20 Unique 2.32, 4.24 A)
&rst
ixpk= 499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1648,1652,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 42 PHE HD 97 VAL MGY 4.50 (# 500:20 Unique 2.52, 6.39 A)
&rst
ixpk= 500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 626, 634,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 108 PHE HB- 97 VAL MGY 4.50 (# 503:20 Unique 2.74, 5.24 A)
&rst
ixpk= 503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1642,1643,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 108 PHE HB+ 97 VAL MGY 5.50 (# 504:20 Unique 2.74, 5.24 A)
&rst
ixpk= 504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1642,1643,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 97 VAL HB 97 VAL MGY 3.50 (# 505:20 Unique 2.42, 2.66 A)
&rst
ixpk= 505, nxpk= 20, iat=1479, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 40 ILE HB 97 VAL MGY 4.50 (# 506:20 Unique 3.25, 4.24 A)
&rst
ixpk= 506, nxpk= 20, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 96 GLN HB+ 97 VAL MGX 3.50 (# 509:20 Unique 2.86, 5.58 A)
&rst
ixpk= 509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1462,1463,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 8 VAL HB 8 VAL MGY 3.50 (# 510:20 Unique 2.37, 2.66 A)
&rst
ixpk= 510, nxpk= 20, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 8 VAL HB 8 VAL MGY 3.50 (# 511:20 Unique 2.37, 2.66 A)
&rst
ixpk= 511, nxpk= 20, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 8 VAL HA 8 VAL MGY 3.50 (# 513:20 Unique 2.37, 3.15 A)
&rst
ixpk= 513, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 108 PHE HE 97 VAL MGX 4.50 (# 514:20 Unique 2.32, 4.24 A)
&rst
ixpk= 514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1648,1652,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 0 AMB 20-2:515 97 VAL MGX 4.50 (# 515:20 Single Ambig)
&rst
ixpk= 515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1475,1646,1654,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 98 VAL HN 97 VAL MGX 4.50 (# 516:20 Unique 2.72, 4.14 A)
&rst
ixpk= 516, nxpk= 20, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 64 LEU HN 63 PRO HA 5.50 (# 517:20 Unique 2.18, 2.26 A)
&rst
ixpk= 517, nxpk= 20, iat= 976, 972, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:518 0 AMB 20-1:518 5.50 (# 518:20 Double Ambig)
&rst
ixpk= 518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 535, 536, 535, 536,1530,1531,1002,1003,1019,1020,
igr2= 555, 972,
&end
#
# 0 AMB 20-2:519 0 AMB 20-1:519 5.50 (# 519:20 Double Ambig)
&rst
ixpk= 519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 471, 472, 473, 753, 754,
igr2= 555, 972,
&end
#
# 0 AMB 20-2:520 63 PRO HB- 5.50 (# 520:20 Single Ambig)
&rst
ixpk= 520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 995, 976,
igr2= 969, 970,
&end
#
# 63 PRO HA 63 PRO HB- 4.50 (# 521:20 Unique 2.29, 2.59 A)
&rst
ixpk= 521, nxpk= 20, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 969, 970,
&end
#
# 63 PRO HD+ 63 PRO HB- 4.50 (# 522:20 Unique 2.77, 3.67 A)
&rst
ixpk= 522, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 963, 964,
igr2= 969, 970,
&end
#
# 51 VAL HA 52 PRO HD- 4.50 (# 523:20 Unique 2.00, 2.57 A)
&rst
ixpk= 523, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 783, 784,
&end
#
# 51 VAL HA 52 PRO HD+ 4.50 (# 524:20 Unique 2.00, 2.57 A)
&rst
ixpk= 524, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 783, 784,
&end
#
# 51 VAL HB 52 PRO HD- 4.50 (# 525:20 Unique 2.08, 3.02 A)
&rst
ixpk= 525, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 783, 784,
&end
#
# 51 VAL HB 52 PRO HD+ 4.50 (# 526:20 Unique 2.08, 3.02 A)
&rst
ixpk= 526, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 783, 784,
&end
#
# 0 AMB 20-2:527 0 AMB 20-1:527 4.50 (# 527:20 Double Ambig)
&rst
ixpk= 527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 772, 773, 774, 776, 777, 778, 565, 566, 567, 569,
570, 571,
igr2= 783, 784, 783, 784,
&end
#
# 0 AMB 20-2:528 52 PRO HD- 4.50 (# 528:20 Single Ambig)
&rst
ixpk= 528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 772, 773, 774, 776, 777, 778, 565, 566, 567, 569,
570, 571,
igr2= 783, 784,
&end
#
# 0 AMB 20-2:529 52 PRO HD- 4.50 (# 529:20 Single Ambig)
&rst
ixpk= 529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 985, 986, 987, 989, 990, 991, 952, 953, 954, 956,
957, 958,
igr2= 783, 784,
&end
#
# 0 AMB 20-2:530 0 AMB 20-1:530 4.50 (# 530:20 Double Ambig)
&rst
ixpk= 530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 985, 986, 987, 989, 990, 991, 952, 953, 954, 956,
957, 958,
igr2= 783, 784, 783, 784,
&end
#
# 0 AMB 20-2:531 64 LEU HA 3.50 (# 531:20 Single Ambig)
&rst
ixpk= 531, nxpk= 20, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 995, 976,
&end
#
# 73 GLN HB- 73 GLN HA 3.50 (# 532:20 Unique 2.30, 2.43 A)
&rst
ixpk= 532, nxpk= 20, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1101,1102,
&end
#
# 0 AMB 20-2:533 0 AMB 20-1:533 3.50 (# 533:20 Double Ambig)
&rst
ixpk= 533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 983,1118,1119,
igr2= 978,1099,
&end
#
# 64 LEU HB+ 64 LEU HA 4.50 (# 534:20 Unique 2.33, 2.74 A)
&rst
ixpk= 534, nxpk= 20, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 980, 981,
&end
#
# 51 VAL MGY 64 LEU HA 4.50 (# 535:20 Unique 2.23, 4.30 A)
&rst
ixpk= 535, nxpk= 20, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 772, 773, 774, 776, 777, 778,
&end
#
# 62 VAL MGY 64 LEU HA 4.50 (# 536:20 Unique 3.53, 6.26 A)
&rst
ixpk= 536, nxpk= 20, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 952, 953, 954, 956, 957, 958,
&end
#
# 64 LEU MDX 64 LEU HA 3.50 (# 537:20 Unique 2.22, 3.90 A)
&rst
ixpk= 537, nxpk= 20, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 985, 986, 987, 989, 990, 991,
&end
#
# 133 ASP HN 132 LEU HB+ 4.50 (# 538:20 Unique 2.28, 3.21 A)
&rst
ixpk= 538, nxpk= 20, iat=1999, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1984,1985,
&end
#
# 132 LEU HN 132 LEU HB+ 5.50 (# 539:20 Unique 2.27, 3.42 A)
&rst
ixpk= 539, nxpk= 20, iat=1980, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1984,1985,
&end
#
# 132 LEU HA 132 LEU HB+ 4.50 (# 540:20 Unique 2.16, 2.79 A)
&rst
ixpk= 540, nxpk= 20, iat=1982, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1984,1985,
&end
#
# 0 AMB 20-2:541 0 AMB 20-1:541 3.50 (# 541:20 Double Ambig)
&rst
ixpk= 541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1989,1990,1991,1993,1994,1995, 985, 986, 987, 989,
990, 991,
igr2=1984,1985, 980, 981,
&end
#
# 65 GLN HB+ 65 GLN HA 4.50 (# 545:20 Unique 2.35, 2.73 A)
&rst
ixpk= 545, nxpk= 20, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 999,1000,
&end
#
# 65 GLN HB- 65 GLN HA 4.50 (# 546:20 Unique 2.35, 2.73 A)
&rst
ixpk= 546, nxpk= 20, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 999,1000,
&end
#
# 65 GLN HG+ 65 GLN HA 3.50 (# 547:20 Unique 2.15, 3.09 A)
&rst
ixpk= 547, nxpk= 20, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1002,1003,
&end
#
# 65 GLN HN 65 GLN HA 4.50 (# 548:20 Unique 2.19, 2.84 A)
&rst
ixpk= 548, nxpk= 20, iat= 995, 997, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 GLN HA 65 GLN HB+ 3.50 (# 549:20 Unique 2.35, 2.73 A)
&rst
ixpk= 549, nxpk= 20, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 999,1000,
&end
#
# 65 GLN HE2- 65 GLN HG+ 4.50 (# 550:20 Unique 2.21, 3.28 A)
&rst
ixpk= 550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1007,1008,
igr2=1002,1003,
&end
#
# 66 GLU HN 0 AMB 20-1:551 4.50 (# 551:20 Single Ambig)
&rst
ixpk= 551, nxpk= 20, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1019,1020,1019,1020,
&end
#
# 0 AMB 20-2:552 0 AMB 20-1:552 3.50 (# 552:20 Double Ambig)
&rst
ixpk= 552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1073,1014,
igr2=1078,1079,1078,1079,1019,1020,1019,1020,
&end
#
# 68 ALA HN 67 ASP HA 4.50 (# 553:20 Unique 3.07, 3.46 A)
&rst
ixpk= 553, nxpk= 20, iat=1039,1029, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ASP HB+ 67 ASP HA 3.50 (# 554:20 Unique 2.35, 2.71 A)
&rst
ixpk= 554, nxpk= 20, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1031,1032,
&end
#
# 67 ASP HB- 67 ASP HA 3.50 (# 555:20 Unique 2.35, 2.71 A)
&rst
ixpk= 555, nxpk= 20, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1031,1032,
&end
#
# 0 AMB 20-2:556 0 AMB 20-1:556 5.50 (# 556:20 Double Ambig)
&rst
ixpk= 556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1043,1044,1045,1053,1054,1055,
igr2=1063,1064,1031,1032,
&end
#
# 0 AMB 20-2:557 0 AMB 20-1:557 5.50 (# 557:20 Double Ambig)
&rst
ixpk= 557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1043,1044,1045,1053,1054,1055,
igr2=1063,1064,1063,1064,1031,1032,
&end
#
# 68 ALA HN 68 ALA HA 3.50 (# 559:20 Unique 2.88, 2.94 A)
&rst
ixpk= 559, nxpk= 20, iat=1039,1041, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 ALA HN 68 ALA HA 3.50 (# 560:20 Unique 2.35, 3.16 A)
&rst
ixpk= 560, nxpk= 20, iat=1049,1041, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 68 ALA MB 68 ALA HA 2.80 (# 561:20 Unique 2.40, 2.65 A)
&rst
ixpk= 561, nxpk= 20, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1043,1044,1045,
&end
#
# 71 GLU HN 0 AMB 20-1:562 5.50 (# 562:20 Single Ambig)
&rst
ixpk= 562, nxpk= 20, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1043,1044,1045,1053,1054,1055,
&end
#
# 68 ALA HN 68 ALA MB 3.50 (# 563:20 Unique 2.39, 2.98 A)
&rst
ixpk= 563, nxpk= 20, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1043,1044,1045,
&end
#
# 68 ALA HA 68 ALA MB 3.50 (# 565:20 Unique 2.40, 2.65 A)
&rst
ixpk= 565, nxpk= 20, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1043,1044,1045,
&end
#
# 0 AMB 20-2:567 69 ALA HA 3.50 (# 567:20 Single Ambig)
&rst
ixpk= 567, nxpk= 20, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1049,1059,
&end
#
# 69 ALA MB 69 ALA HA 2.80 (# 568:20 Unique 2.39, 2.65 A)
&rst
ixpk= 568, nxpk= 20, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1053,1054,1055,
&end
#
# 71 GLU HN 70 ASP HA 4.50 (# 570:20 Unique 2.14, 3.01 A)
&rst
ixpk= 570, nxpk= 20, iat=1071,1061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 ASP HN 70 ASP HA 5.50 (# 571:20 Unique 2.21, 2.64 A)
&rst
ixpk= 571, nxpk= 20, iat=1059,1061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:572 141 ARG HA 5.50 (# 572:20 Single Ambig)
&rst
ixpk= 572, nxpk= 20, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1662,1663,1662,1663,
&end
#
# 70 ASP HB- 70 ASP HA 4.50 (# 573:20 Unique 2.44, 2.76 A)
&rst
ixpk= 573, nxpk= 20, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1063,1064,
&end
#
# 70 ASP HB+ 70 ASP HA 4.50 (# 574:20 Unique 2.44, 2.76 A)
&rst
ixpk= 574, nxpk= 20, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1063,1064,
&end
#
# 0 AMB 20-2:575 0 AMB 20-1:575 5.50 (# 575:20 Double Ambig)
&rst
ixpk= 575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 999,1000,2125,2126,
igr2=1061,2123,
&end
#
# 71 GLU HA 0 AMB 20-1:576 3.50 (# 576:20 Single Ambig)
&rst
ixpk= 576, nxpk= 20, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 999,1000,1075,1076,
&end
#
# 71 GLU HN 0 AMB 20-1:577 4.50 (# 577:20 Single Ambig)
&rst
ixpk= 577, nxpk= 20, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1075,1076, 999,1000,
&end
#
# 69 ALA MB 0 AMB 20-1:578 5.50 (# 578:20 Single Ambig)
&rst
ixpk= 578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1053,1054,1055,
igr2=1078,1079,1078,1079,
&end
#
# 0 AMB 20-2:579 0 AMB 20-1:579 2.80 (# 579:20 Double Ambig)
&rst
ixpk= 579, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1790,1791,1790,1791,
igr2=1793,1794,1793,1794,
&end
#
# 78 GLU HN 78 GLU HA 3.50 (# 580:20 Unique 2.81, 2.93 A)
&rst
ixpk= 580, nxpk= 20, iat=1176,1178, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 GLU HN 78 GLU HA 3.50 (# 581:20 Unique 3.04, 3.43 A)
&rst
ixpk= 581, nxpk= 20, iat=1191,1178, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 SER HN 72 SER HA 4.50 (# 582:20 Unique 2.21, 2.81 A)
&rst
ixpk= 582, nxpk= 20, iat=1086,1088, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 GLN HN 72 SER HA 3.50 (# 583:20 Unique 2.68, 3.30 A)
&rst
ixpk= 583, nxpk= 20, iat=1097,1088, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 SER HB- 72 SER HA 3.50 (# 584:20 Unique 2.36, 2.50 A)
&rst
ixpk= 584, nxpk= 20, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1090,1091,
&end
#
# 0 AMB 20-2:585 78 GLU HA 2.80 (# 585:20 Single Ambig)
&rst
ixpk= 585, nxpk= 20, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1180,1181,1180,1181,
&end
#
# 73 GLN HA 73 GLN HB- 4.50 (# 586:20 Unique 2.30, 2.43 A)
&rst
ixpk= 586, nxpk= 20, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1101,1102,
&end
#
# 78 GLU HN 77 ASP HA 3.50 (# 587:20 Unique 2.20, 2.31 A)
&rst
ixpk= 587, nxpk= 20, iat=1176,1166, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 GLU HN 77 ASP HB+ 5.50 (# 588:20 Unique 2.48, 3.76 A)
&rst
ixpk= 588, nxpk= 20, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1168,1169,
&end
#
# 76 TRP HA 77 ASP HB+ 5.50 (# 590:20 Unique 3.95, 5.26 A)
&rst
ixpk= 590, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1168,1169,
&end
#
# 77 ASP HA 77 ASP HB+ 3.50 (# 591:20 Unique 2.23, 2.68 A)
&rst
ixpk= 591, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1168,1169,
&end
#
# 80 LEU HG 77 ASP HB+ 4.50 (# 593:20 Unique 2.13, 3.11 A)
&rst
ixpk= 593, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1168,1169,
&end
#
# 80 LEU HG 77 ASP HB- 4.50 (# 594:20 Unique 2.13, 3.11 A)
&rst
ixpk= 594, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1168,1169,
&end
#
# 0 AMB 20-2:595 78 GLU HA 3.50 (# 595:20 Single Ambig)
&rst
ixpk= 595, nxpk= 20, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1183,1184,1198,1199,
&end
#
# 0 AMB 20-2:596 78 GLU HA 3.50 (# 596:20 Single Ambig)
&rst
ixpk= 596, nxpk= 20, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1183,1184,1198,1199,
&end
#
# 79 GLU HN 78 GLU HG+ 4.50 (# 597:20 Unique 2.39, 3.18 A)
&rst
ixpk= 597, nxpk= 20, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1183,1184,
&end
#
# 79 GLU HN 78 GLU HG- 4.50 (# 598:20 Unique 2.39, 3.18 A)
&rst
ixpk= 598, nxpk= 20, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1183,1184,
&end
#
# 78 GLU HN 78 GLU HG+ 4.50 (# 599:20 Unique 2.00, 2.84 A)
&rst
ixpk= 599, nxpk= 20, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1183,1184,
&end
#
# 78 GLU HN 78 GLU HG- 4.50 (# 600:20 Unique 2.00, 2.84 A)
&rst
ixpk= 600, nxpk= 20, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1183,1184,
&end
#
# 0 AMB 20-2:601 0 AMB 20-1:601 3.50 (# 601:20 Double Ambig)
&rst
ixpk= 601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1178,1193,
igr2=1183,1184,1183,1184,
&end
#
# 79 GLU HN 79 GLU HB- 4.50 (# 602:20 Unique 2.33, 3.21 A)
&rst
ixpk= 602, nxpk= 20, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1195,1196,
&end
#
# 9 ALA MB 79 GLU HB- 4.50 (# 605:20 Unique 2.18, 4.18 A)
&rst
ixpk= 605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 130, 131, 132,
igr2=1195,1196,
&end
#
# 81 SER HN 80 LEU HA 3.50 (# 606:20 Unique 2.06, 2.15 A)
&rst
ixpk= 606, nxpk= 20, iat=1225,1208, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 LEU HN 80 LEU HA 4.50 (# 607:20 Unique 2.98, 2.99 A)
&rst
ixpk= 607, nxpk= 20, iat=1206,1208, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 114 ASN HA 80 LEU HA 4.50 (# 608:20 Unique 2.98, 3.21 A)
&rst
ixpk= 608, nxpk= 20, iat=1736,1208, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 LEU HB- 80 LEU HA 4.50 (# 609:20 Unique 2.40, 2.78 A)
&rst
ixpk= 609, nxpk= 20, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1210,1211,
&end
#
# 9 ALA MB 80 LEU HA 4.50 (# 610:20 Unique 3.72, 4.88 A)
&rst
ixpk= 610, nxpk= 20, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 130, 131, 132,
&end
#
# 80 LEU MDX 80 LEU HA 3.50 (# 613:20 Unique 2.12, 3.65 A)
&rst
ixpk= 613, nxpk= 20, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1215,1216,1217,1219,1220,1221,
&end
#
# 80 LEU HN 80 LEU HB- 4.50 (# 614:20 Unique 2.29, 3.15 A)
&rst
ixpk= 614, nxpk= 20, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1210,1211,
&end
#
# 80 LEU HN 80 LEU HB+ 5.50 (# 615:20 Unique 2.29, 3.15 A)
&rst
ixpk= 615, nxpk= 20, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1210,1211,
&end
#
# 80 LEU HA 80 LEU HB- 5.50 (# 616:20 Unique 2.40, 2.78 A)
&rst
ixpk= 616, nxpk= 20, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1210,1211,
&end
#
# 80 LEU HA 80 LEU HB+ 5.50 (# 617:20 Unique 2.40, 2.78 A)
&rst
ixpk= 617, nxpk= 20, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1210,1211,
&end
#
# 80 LEU MDX 80 LEU HB+ 4.50 (# 618:20 Unique 2.31, 3.38 A)
&rst
ixpk= 618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1215,1216,1217,1219,1220,1221,
igr2=1210,1211,
&end
#
# 80 LEU MDX 80 LEU HB- 4.50 (# 619:20 Unique 2.31, 3.38 A)
&rst
ixpk= 619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1215,1216,1217,1219,1220,1221,
igr2=1210,1211,
&end
#
# 82 ILE QD1 80 LEU HB+ 5.50 (# 620:20 Unique 2.52, 3.48 A)
&rst
ixpk= 620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1249,1250,1251,
igr2=1210,1211,
&end
#
# 82 ILE QD1 80 LEU HB- 5.50 (# 621:20 Unique 2.52, 3.48 A)
&rst
ixpk= 621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1249,1250,1251,
igr2=1210,1211,
&end
#
# 0 AMB 20-2:622 80 LEU MDX 3.50 (# 622:20 Single Ambig)
&rst
ixpk= 622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 188,1748,
igr2=1215,1216,1217,1219,1220,1221,
&end
#
# 80 LEU HN 80 LEU MDX 4.50 (# 623:20 Unique 3.07, 4.83 A)
&rst
ixpk= 623, nxpk= 20, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1215,1216,1217,1219,1220,1221,
&end
#
# 80 LEU HA 80 LEU MDX 3.50 (# 624:20 Unique 2.12, 3.65 A)
&rst
ixpk= 624, nxpk= 20, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1215,1216,1217,1219,1220,1221,
&end
#
# 114 ASN HA 80 LEU MDX 4.50 (# 625:20 Unique 2.43, 5.01 A)
&rst
ixpk= 625, nxpk= 20, iat=1736, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1215,1216,1217,1219,1220,1221,
&end
#
# 13 ALA HA 80 LEU MDX 4.50 (# 626:20 Unique 2.13, 3.55 A)
&rst
ixpk= 626, nxpk= 20, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1215,1216,1217,1219,1220,1221,
&end
#
# 0 AMB 20-2:627 80 LEU MDX 3.50 (# 627:20 Single Ambig)
&rst
ixpk= 627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 168, 169,1210,1211,
igr2=1215,1216,1217,1219,1220,1221,
&end
#
# 9 ALA MB 80 LEU MDX 3.50 (# 628:20 Unique 2.30, 5.34 A)
&rst
ixpk= 628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 130, 131, 132,
igr2=1215,1216,1217,1219,1220,1221,
&end
#
# 80 LEU HB+ 80 LEU MDX 3.50 (# 629:20 Unique 2.31, 3.38 A)
&rst
ixpk= 629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1210,1211,
igr2=1215,1216,1217,1219,1220,1221,
&end
#
# 80 LEU HG 80 LEU MDX 3.50 (# 630:20 Unique 2.36, 2.65 A)
&rst
ixpk= 630, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1215,1216,1217,1219,1220,1221,
&end
#
# 121 LEU HG 80 LEU MDX 4.50 (# 631:20 Unique 2.84, 5.33 A)
&rst
ixpk= 631, nxpk= 20, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1215,1216,1217,1219,1220,1221,
&end
#
# 0 AMB 20-2:632 80 LEU MDY 4.50 (# 632:20 Single Ambig)
&rst
ixpk= 632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 188,1748,
igr2=1215,1216,1217,1219,1220,1221,
&end
#
# 0 AMB 20-2:633 0 AMB 20-1:633 3.50 (# 633:20 Double Ambig)
&rst
ixpk= 633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1208,2013,
igr2=1215,1216,1217,1219,1220,1221,1876,1877,1878,1880,
1881,1882,
&end
#
# 124 LEU HA 124 LEU MDX 3.50 (# 634:20 Unique 2.26, 4.10 A)
&rst
ixpk= 634, nxpk= 20, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1876,1877,1878,1880,1881,1882,
&end
#
# 110 LEU HB+ 124 LEU MDX 4.50 (# 636:20 Unique 3.67, 5.78 A)
&rst
ixpk= 636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1673,1674,
igr2=1876,1877,1878,1880,1881,1882,
&end
#
# 83 HIS HN 82 ILE HA 4.50 (# 637:20 Unique 2.09, 2.13 A)
&rst
ixpk= 637, nxpk= 20, iat=1255,1238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 112 MET HA 82 ILE HA 5.50 (# 638:20 Unique 2.56, 2.71 A)
&rst
ixpk= 638, nxpk= 20, iat=1709,1238, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ILE HN 82 ILE HB 4.50 (# 640:20 Unique 2.26, 2.36 A)
&rst
ixpk= 640, nxpk= 20, iat=1236,1240, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 LEU MDY 82 ILE HB 4.50 (# 642:20 Unique 4.56, 6.31 A)
&rst
ixpk= 642, nxpk= 20, iat= -1,1240, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1678,1679,1680,1682,1683,1684,
&end
#
# 0 AMB 20-2:643 82 ILE HB 4.50 (# 643:20 Single Ambig)
&rst
ixpk= 643, nxpk= 20, iat= -1,1240, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1246,1247,1246,1247,
&end
#
# 82 ILE QG2 82 ILE HB 3.50 (# 644:20 Unique 2.40, 2.65 A)
&rst
ixpk= 644, nxpk= 20, iat= -1,1240, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1242,1243,1244,
&end
#
# 82 ILE HG1- 82 ILE QD1 3.50 (# 647:20 Unique 2.34, 2.66 A)
&rst
ixpk= 647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1246,1247,
igr2=1249,1250,1251,
&end
#
# 110 LEU MDX 82 ILE QD1 3.50 (# 648:20 Unique 4.22, 6.43 A)
&rst
ixpk= 648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1678,1679,1680,1682,1683,1684,
igr2=1249,1250,1251,
&end
#
# 80 LEU MDX 82 ILE QD1 5.50 (# 649:20 Unique 2.53, 5.06 A)
&rst
ixpk= 649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1215,1216,1217,1219,1220,1221,
igr2=1249,1250,1251,
&end
#
# 80 LEU HG 82 ILE QD1 4.50 (# 650:20 Unique 4.04, 5.15 A)
&rst
ixpk= 650, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1249,1250,1251,
&end
#
# 0 AMB 20-2:651 82 ILE QD1 3.50 (# 651:20 Single Ambig)
&rst
ixpk= 651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1240,1210,1211,
igr2=1249,1250,1251,
&end
#
# 16 THR MG2 82 ILE QD1 4.50 (# 652:20 Unique 2.56, 4.71 A)
&rst
ixpk= 652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 243, 244, 245,
igr2=1249,1250,1251,
&end
#
# 112 MET ME 82 ILE QD1 4.50 (# 653:20 Unique 2.29, 4.85 A)
&rst
ixpk= 653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1718,1719,1720,
igr2=1249,1250,1251,
&end
#
# 80 LEU HB- 82 ILE QD1 4.50 (# 654:20 Unique 2.52, 3.48 A)
&rst
ixpk= 654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1210,1211,
igr2=1249,1250,1251,
&end
#
# 112 MET HG- 82 ILE QD1 4.50 (# 655:20 Unique 2.34, 4.01 A)
&rst
ixpk= 655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1714,1715,
igr2=1249,1250,1251,
&end
#
# 76 TRP HB+ 82 ILE QD1 5.50 (# 656:20 Unique 2.57, 6.17 A)
&rst
ixpk= 656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1144,1145,
igr2=1249,1250,1251,
&end
#
# 82 ILE HA 82 ILE QD1 4.50 (# 657:20 Unique 2.38, 3.30 A)
&rst
ixpk= 657, nxpk= 20, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1249,1250,1251,
&end
#
# 112 MET HA 82 ILE QD1 4.50 (# 658:20 Unique 2.31, 3.71 A)
&rst
ixpk= 658, nxpk= 20, iat=1709, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1249,1250,1251,
&end
#
# 83 HIS HN 82 ILE QG2 4.50 (# 659:20 Unique 2.42, 3.58 A)
&rst
ixpk= 659, nxpk= 20, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1242,1243,1244,
&end
#
# 82 ILE HN 82 ILE QG2 5.50 (# 660:20 Unique 3.81, 4.36 A)
&rst
ixpk= 660, nxpk= 20, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1242,1243,1244,
&end
#
# 82 ILE HA 82 ILE QG2 4.50 (# 661:20 Unique 2.91, 3.53 A)
&rst
ixpk= 661, nxpk= 20, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1242,1243,1244,
&end
#
# 0 AMB 20-2:662 82 ILE QG2 3.50 (# 662:20 Single Ambig)
&rst
ixpk= 662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1240,1279,
igr2=1242,1243,1244,
&end
#
# 110 LEU MDY 82 ILE QG2 3.50 (# 663:20 Unique 2.38, 4.75 A)
&rst
ixpk= 663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1678,1679,1680,1682,1683,1684,
igr2=1242,1243,1244,
&end
#
# 0 AMB 20-2:664 82 ILE QG2 3.50 (# 664:20 Single Ambig)
&rst
ixpk= 664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1246,1247,1281,1282,1283,1285,1286,1287,
igr2=1242,1243,1244,
&end
#
# 84 LEU MDX 84 LEU HB- 4.50 (# 666:20 Unique 2.26, 3.43 A)
&rst
ixpk= 666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1281,1282,1283,1285,1286,1287,
igr2=1276,1277,
&end
#
# 84 LEU MDY 84 LEU HB- 3.50 (# 667:20 Unique 2.26, 3.43 A)
&rst
ixpk= 667, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1281,1282,1283,1285,1286,1287,
igr2=1276,1277,
&end
#
# 84 LEU HA 84 LEU HB+ 4.50 (# 668:20 Unique 2.28, 2.76 A)
&rst
ixpk= 668, nxpk= 20, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1276,1277,
&end
#
# 84 LEU HA 84 LEU HB- 4.50 (# 669:20 Unique 2.28, 2.76 A)
&rst
ixpk= 669, nxpk= 20, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1276,1277,
&end
#
# 85 GLN HN 84 LEU HB- 5.50 (# 670:20 Unique 2.20, 3.78 A)
&rst
ixpk= 670, nxpk= 20, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1276,1277,
&end
#
# 84 LEU HN 84 LEU HB- 4.50 (# 671:20 Unique 2.23, 2.92 A)
&rst
ixpk= 671, nxpk= 20, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1276,1277,
&end
#
# 84 LEU HN 84 LEU HG 5.50 (# 672:20 Unique 3.14, 4.32 A)
&rst
ixpk= 672, nxpk= 20, iat=1272,1279, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 LEU HA 84 LEU HG 4.50 (# 673:20 Unique 2.23, 3.24 A)
&rst
ixpk= 673, nxpk= 20, iat=1274,1279, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 LEU HB- 84 LEU HG 3.50 (# 674:20 Unique 2.20, 2.57 A)
&rst
ixpk= 674, nxpk= 20, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1276,1277,
&end
#
# 84 LEU MDX 84 LEU HG 3.50 (# 675:20 Unique 2.34, 2.65 A)
&rst
ixpk= 675, nxpk= 20, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1281,1282,1283,1285,1286,1287,
&end
#
# 84 LEU MDY 84 LEU HG 3.50 (# 676:20 Unique 2.34, 2.65 A)
&rst
ixpk= 676, nxpk= 20, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1281,1282,1283,1285,1286,1287,
&end
#
# 82 ILE QG2 84 LEU HG 4.50 (# 677:20 Unique 3.28, 5.34 A)
&rst
ixpk= 677, nxpk= 20, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1242,1243,1244,
&end
#
# 85 GLN HN 85 GLN HA 3.50 (# 678:20 Unique 2.82, 2.95 A)
&rst
ixpk= 678, nxpk= 20, iat=1291,1293, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 PHE HN 85 GLN HA 4.50 (# 679:20 Unique 2.82, 3.26 A)
&rst
ixpk= 679, nxpk= 20, iat=1322,1293, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 PRO HA 85 GLN HA 4.50 (# 680:20 Unique 2.30, 2.53 A)
&rst
ixpk= 680, nxpk= 20, iat=1318,1293, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:681 85 GLN HA 3.50 (# 681:20 Single Ambig)
&rst
ixpk= 681, nxpk= 20, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1298,1299,1298,1299,
&end
#
# 85 GLN HB+ 85 GLN HA 2.80 (# 682:20 Unique 2.19, 2.72 A)
&rst
ixpk= 682, nxpk= 20, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1295,1296,
&end
#
# 85 GLN HB- 85 GLN HA 3.50 (# 683:20 Unique 2.19, 2.72 A)
&rst
ixpk= 683, nxpk= 20, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1295,1296,
&end
#
# 96 GLN HE2+ 89 PRO HA 4.50 (# 686:20 Unique 3.03, 4.18 A)
&rst
ixpk= 686, nxpk= 20, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1470,1471,
&end
#
# 43 SER HA 89 PRO HA 5.50 (# 687:20 Unique 2.72, 3.41 A)
&rst
ixpk= 687, nxpk= 20, iat= 640,1374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:688 89 PRO HA 4.50 (# 688:20 Single Ambig)
&rst
ixpk= 688, nxpk= 20, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1465,1466,1465,1466, 622, 623,
&end
#
# 89 PRO HB- 89 PRO HA 3.50 (# 690:20 Unique 2.29, 2.52 A)
&rst
ixpk= 690, nxpk= 20, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1371,1372,
&end
#
# 89 PRO HB+ 89 PRO HA 3.50 (# 691:20 Unique 2.29, 2.52 A)
&rst
ixpk= 691, nxpk= 20, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1371,1372,
&end
#
# 84 LEU MDY 89 PRO HA 5.50 (# 692:20 Unique 2.57, 5.79 A)
&rst
ixpk= 692, nxpk= 20, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1281,1282,1283,1285,1286,1287,
&end
#
# 37 PRO HD- 37 PRO HG+ 4.50 (# 693:20 Unique 2.29, 2.60 A)
&rst
ixpk= 693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 546, 547,
igr2= 549, 550,
&end
#
# 91 ASP HN 90 ASP HB+ 5.50 (# 696:20 Unique 2.46, 3.89 A)
&rst
ixpk= 696, nxpk= 20, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1382,1383,
&end
#
# 92 SER HN 91 ASP HA 3.50 (# 697:20 Unique 2.12, 2.23 A)
&rst
ixpk= 697, nxpk= 20, iat=1402,1392, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 ASP HN 91 ASP HA 3.50 (# 698:20 Unique 2.87, 2.91 A)
&rst
ixpk= 698, nxpk= 20, iat=1390,1392, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 ASP HB- 91 ASP HA 3.50 (# 700:20 Unique 2.38, 2.72 A)
&rst
ixpk= 700, nxpk= 20, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1394,1395,
&end
#
# 91 ASP HB+ 91 ASP HA 3.50 (# 701:20 Unique 2.38, 2.72 A)
&rst
ixpk= 701, nxpk= 20, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1394,1395,
&end
#
# 91 ASP HN 91 ASP HB- 4.50 (# 702:20 Unique 2.31, 2.61 A)
&rst
ixpk= 702, nxpk= 20, iat=1390, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1394,1395,
&end
#
# 91 ASP HA 91 ASP HB- 3.50 (# 703:20 Unique 2.38, 2.72 A)
&rst
ixpk= 703, nxpk= 20, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1394,1395,
&end
#
# 91 ASP HA 91 ASP HB+ 4.50 (# 704:20 Unique 2.38, 2.72 A)
&rst
ixpk= 704, nxpk= 20, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1394,1395,
&end
#
# 95 PRO HG- 95 PRO HB+ 4.50 (# 705:20 Unique 2.35, 2.64 A)
&rst
ixpk= 705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1448,1449,
igr2=1451,1452,
&end
#
# 95 PRO HG- 95 PRO HB- 5.50 (# 706:20 Unique 2.35, 2.64 A)
&rst
ixpk= 706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1448,1449,
igr2=1451,1452,
&end
#
# 95 PRO HG+ 95 PRO HB+ 4.50 (# 707:20 Unique 2.35, 2.64 A)
&rst
ixpk= 707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1448,1449,
igr2=1451,1452,
&end
#
# 95 PRO HG+ 95 PRO HB- 5.50 (# 708:20 Unique 2.35, 2.64 A)
&rst
ixpk= 708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1448,1449,
igr2=1451,1452,
&end
#
# 95 PRO HA 95 PRO HB- 4.50 (# 711:20 Unique 2.28, 2.52 A)
&rst
ixpk= 711, nxpk= 20, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1451,1452,
&end
#
# 61 TRP HZ2 95 PRO HB+ 5.50 (# 713:20 Unique 5.02, 5.66 A)
&rst
ixpk= 713, nxpk= 20, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1451,1452,
&end
#
# 40 ILE HN 95 PRO HB+ 4.50 (# 714:20 Unique 2.22, 2.79 A)
&rst
ixpk= 714, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1451,1452,
&end
#
# 40 ILE HN 95 PRO HB- 5.50 (# 715:20 Unique 2.22, 2.79 A)
&rst
ixpk= 715, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1451,1452,
&end
#
# 96 GLN HB+ 96 GLN HA 3.50 (# 716:20 Unique 2.34, 2.79 A)
&rst
ixpk= 716, nxpk= 20, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1462,1463,
&end
#
# 96 GLN HB- 96 GLN HA 3.50 (# 717:20 Unique 2.34, 2.79 A)
&rst
ixpk= 717, nxpk= 20, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1462,1463,
&end
#
# 94 GLN HG- 96 GLN HA 5.50 (# 718:20 Unique 3.94, 5.06 A)
&rst
ixpk= 718, nxpk= 20, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1434,1435,
&end
#
# 0 AMB 20-2:719 96 GLN HA 4.50 (# 719:20 Single Ambig)
&rst
ixpk= 719, nxpk= 20, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1465,1466,1465,1466,
&end
#
# 97 VAL HN 96 GLN HA 5.50 (# 720:20 Unique 3.45, 3.56 A)
&rst
ixpk= 720, nxpk= 20, iat=1475,1460, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 GLN HN 96 GLN HA 4.50 (# 721:20 Unique 2.94, 2.98 A)
&rst
ixpk= 721, nxpk= 20, iat=1458,1460, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 VAL HN 97 VAL HA 3.50 (# 722:20 Unique 2.20, 2.22 A)
&rst
ixpk= 722, nxpk= 20, iat=1491,1477, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ALA HN 8 VAL MGY 4.50 (# 723:20 Unique 3.32, 4.70 A)
&rst
ixpk= 723, nxpk= 20, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 0 AMB 20-2:724 97 VAL MGX 5.50 (# 724:20 Single Ambig)
&rst
ixpk= 724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 603, 620,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 11 THR HB 8 VAL MGY 4.50 (# 725:20 Unique 3.03, 5.07 A)
&rst
ixpk= 725, nxpk= 20, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 12 ARG HD- 8 VAL MGY 4.50 (# 726:20 Unique 2.44, 5.84 A)
&rst
ixpk= 726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 174, 175,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 99 ILE HN 98 VAL HB 5.50 (# 727:20 Unique 3.96, 4.04 A)
&rst
ixpk= 727, nxpk= 20, iat=1507,1495, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 VAL HN 98 VAL HB 4.50 (# 728:20 Unique 2.72, 2.78 A)
&rst
ixpk= 728, nxpk= 20, iat=1491,1495, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 THR HN 98 VAL HB 5.50 (# 729:20 Unique 3.76, 4.07 A)
&rst
ixpk= 729, nxpk= 20, iat=1610,1495, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 LEU HA 125 VAL HB 5.50 (# 730:20 Unique 4.54, 4.62 A)
&rst
ixpk= 730, nxpk= 20, iat=1869,1890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 VAL HA 98 VAL HB 4.50 (# 731:20 Unique 3.01, 3.02 A)
&rst
ixpk= 731, nxpk= 20, iat=1493,1495, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 VAL MGY 98 VAL HB 2.80 (# 732:20 Unique 2.45, 2.67 A)
&rst
ixpk= 732, nxpk= 20, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1497,1498,1499,1501,1502,1503,
&end
#
# 109 SER HA 125 VAL MGX 4.50 (# 736:20 Unique 2.68, 4.37 A)
&rst
ixpk= 736, nxpk= 20, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 141 ARG HA 125 VAL MGX 4.50 (# 737:20 Unique 2.71, 5.52 A)
&rst
ixpk= 737, nxpk= 20, iat=2123, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 133 ASP HB+ 125 VAL MGX 4.50 (# 738:20 Unique 3.25, 5.18 A)
&rst
ixpk= 738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2003,2004,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 125 VAL HB 125 VAL MGX 3.50 (# 739:20 Unique 2.42, 2.66 A)
&rst
ixpk= 739, nxpk= 20, iat=1890, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 123 THR MG2 125 VAL MGX 2.80 (# 740:20 Unique 2.39, 5.25 A)
&rst
ixpk= 740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1859,1860,1861,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 61 TRP HZ2 98 VAL MGY 4.50 (# 741:20 Unique 2.67, 3.86 A)
&rst
ixpk= 741, nxpk= 20, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1497,1498,1499,1501,1502,1503,
&end
#
# 98 VAL HA 98 VAL MGY 3.50 (# 743:20 Unique 2.40, 3.13 A)
&rst
ixpk= 743, nxpk= 20, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1497,1498,1499,1501,1502,1503,
&end
#
# 37 PRO HB- 98 VAL MGY 3.50 (# 744:20 Unique 2.34, 4.36 A)
&rst
ixpk= 744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 552, 553,
igr2=1497,1498,1499,1501,1502,1503,
&end
#
# 37 PRO HB+ 98 VAL MGY 3.50 (# 745:20 Unique 2.34, 4.36 A)
&rst
ixpk= 745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 552, 553,
igr2=1497,1498,1499,1501,1502,1503,
&end
#
# 98 VAL HB 98 VAL MGY 2.80 (# 746:20 Unique 2.45, 2.67 A)
&rst
ixpk= 746, nxpk= 20, iat=1495, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1497,1498,1499,1501,1502,1503,
&end
#
# 99 ILE HG1- 99 ILE HB 3.50 (# 748:20 Unique 2.56, 2.82 A)
&rst
ixpk= 748, nxpk= 20, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1517,1518,
&end
#
# 99 ILE HA 99 ILE HB 4.50 (# 749:20 Unique 3.04, 3.06 A)
&rst
ixpk= 749, nxpk= 20, iat=1509,1511, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:750 99 ILE HB 4.50 (# 750:20 Single Ambig)
&rst
ixpk= 750, nxpk= 20, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1517,1518, 406, 407, 408,
&end
#
# 38 VAL HN 99 ILE HB 4.50 (# 751:20 Unique 2.79, 2.91 A)
&rst
ixpk= 751, nxpk= 20, iat= 559,1511, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 ILE HN 99 ILE HB 4.50 (# 752:20 Unique 2.47, 2.56 A)
&rst
ixpk= 752, nxpk= 20, iat=1507,1511, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 ILE HN 99 ILE HG1+ 5.50 (# 753:20 Unique 3.59, 4.00 A)
&rst
ixpk= 753, nxpk= 20, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1517,1518,
&end
#
# 99 ILE HA 99 ILE HG1- 5.50 (# 754:20 Unique 2.52, 3.14 A)
&rst
ixpk= 754, nxpk= 20, iat=1509, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1517,1518,
&end
#
# 99 ILE HA 99 ILE HG1+ 4.50 (# 755:20 Unique 2.52, 3.14 A)
&rst
ixpk= 755, nxpk= 20, iat=1509, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1517,1518,
&end
#
# 99 ILE HB 99 ILE HG1+ 3.50 (# 756:20 Unique 2.56, 2.82 A)
&rst
ixpk= 756, nxpk= 20, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1517,1518,
&end
#
# 99 ILE HB 99 ILE HG1- 3.50 (# 759:20 Unique 2.56, 2.82 A)
&rst
ixpk= 759, nxpk= 20, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1517,1518,
&end
#
# 99 ILE HB 99 ILE QG2 3.50 (# 760:20 Unique 2.41, 2.65 A)
&rst
ixpk= 760, nxpk= 20, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1513,1514,1515,
&end
#
# 0 AMB 20-2:761 0 AMB 20-1:761 4.50 (# 761:20 Double Ambig)
&rst
ixpk= 761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1517,1518, 192, 193, 194, 406, 407, 408,
igr2=1513,1514,1515,1824,1825,1826,1828,1829,1830,
&end
#
# 31 ALA MB 99 ILE QG2 4.50 (# 762:20 Unique 2.87, 4.26 A)
&rst
ixpk= 762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 471, 472, 473,
igr2=1513,1514,1515,
&end
#
# 99 ILE HG1- 99 ILE QG2 2.80 (# 763:20 Unique 2.20, 3.08 A)
&rst
ixpk= 763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1517,1518,
igr2=1513,1514,1515,
&end
#
# 0 AMB 20-2:764 99 ILE QG2 4.50 (# 764:20 Single Ambig)
&rst
ixpk= 764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1601,1602,1601,1602,
igr2=1513,1514,1515,
&end
#
# 28 ILE HA 99 ILE QG2 3.50 (# 766:20 Unique 2.11, 2.88 A)
&rst
ixpk= 766, nxpk= 20, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1513,1514,1515,
&end
#
# 99 ILE HA 99 ILE QG2 4.50 (# 767:20 Unique 2.47, 3.12 A)
&rst
ixpk= 767, nxpk= 20, iat=1509, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1513,1514,1515,
&end
#
# 113 ALA HA 121 LEU MDX 4.50 (# 768:20 Unique 2.09, 4.68 A)
&rst
ixpk= 768, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1824,1825,1826,1828,1829,1830,
&end
#
# 103 GLY HN 99 ILE QG2 5.50 (# 769:20 Unique 4.07, 4.85 A)
&rst
ixpk= 769, nxpk= 20, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1513,1514,1515,
&end
#
# 100 LEU HN 99 ILE QG2 4.50 (# 770:20 Unique 2.81, 3.59 A)
&rst
ixpk= 770, nxpk= 20, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1513,1514,1515,
&end
#
# 38 VAL HN 99 ILE QG2 5.50 (# 771:20 Unique 3.90, 4.81 A)
&rst
ixpk= 771, nxpk= 20, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1513,1514,1515,
&end
#
# 38 VAL MGX 99 ILE QD1 3.50 (# 772:20 Unique 2.11, 5.95 A)
&rst
ixpk= 772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 565, 566, 567, 569, 570, 571,
igr2=1520,1521,1522,
&end
#
# 0 AMB 20-2:773 99 ILE QD1 3.50 (# 773:20 Single Ambig)
&rst
ixpk= 773, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 406, 407, 408,1517,1518,
igr2=1520,1521,1522,
&end
#
# 99 ILE HB 99 ILE QD1 3.50 (# 774:20 Unique 2.38, 3.07 A)
&rst
ixpk= 774, nxpk= 20, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1520,1521,1522,
&end
#
# 99 ILE HN 99 ILE QD1 4.50 (# 776:20 Unique 2.37, 3.32 A)
&rst
ixpk= 776, nxpk= 20, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1520,1521,1522,
&end
#
# 124 LEU HB+ 124 LEU MDY 3.50 (# 777:20 Unique 2.33, 3.32 A)
&rst
ixpk= 777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1871,1872,
igr2=1876,1877,1878,1880,1881,1882,
&end
#
# 17 ALA HA 124 LEU MDY 4.50 (# 778:20 Unique 2.33, 4.12 A)
&rst
ixpk= 778, nxpk= 20, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1876,1877,1878,1880,1881,1882,
&end
#
# 101 ALA MB 101 ALA HA 2.80 (# 779:20 Unique 2.45, 2.67 A)
&rst
ixpk= 779, nxpk= 20, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1549,1550,1551,
&end
#
# 101 ALA HN 101 ALA HA 4.50 (# 780:20 Unique 2.81, 2.86 A)
&rst
ixpk= 780, nxpk= 20, iat=1545,1547, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 ALA HA 101 ALA MB 3.50 (# 781:20 Unique 2.45, 2.67 A)
&rst
ixpk= 781, nxpk= 20, iat=1547, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1549,1550,1551,
&end
#
# 0 AMB 20-2:783 137 ALA MB 3.50 (# 783:20 Single Ambig)
&rst
ixpk= 783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1808,1809,2075,2076,
igr2=2065,2066,2067,
&end
#
# 0 AMB 20-2:785 0 AMB 20-1:785 3.50 (# 785:20 Double Ambig)
&rst
ixpk= 785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 479,2063,
igr2=1549,1550,1551,2065,2066,2067,
&end
#
# 31 ALA HA 101 ALA MB 4.50 (# 786:20 Unique 4.26, 5.50 A)
&rst
ixpk= 786, nxpk= 20, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1549,1550,1551,
&end
#
# 137 ALA HN 137 ALA MB 4.50 (# 787:20 Unique 2.40, 3.32 A)
&rst
ixpk= 787, nxpk= 20, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2065,2066,2067,
&end
#
# 101 ALA HN 101 ALA MB 3.50 (# 788:20 Unique 2.40, 2.84 A)
&rst
ixpk= 788, nxpk= 20, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1549,1550,1551,
&end
#
# 102 ASP HN 102 ASP HB- 4.50 (# 789:20 Unique 2.25, 2.84 A)
&rst
ixpk= 789, nxpk= 20, iat=1555, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1559,1560,
&end
#
# 102 ASP HN 102 ASP HB+ 4.50 (# 790:20 Unique 2.25, 2.84 A)
&rst
ixpk= 790, nxpk= 20, iat=1555, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1559,1560,
&end
#
# 102 ASP HA 102 ASP HB+ 3.50 (# 791:20 Unique 2.31, 2.64 A)
&rst
ixpk= 791, nxpk= 20, iat=1557, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1559,1560,
&end
#
# 102 ASP HA 102 ASP HB- 3.50 (# 792:20 Unique 2.31, 2.64 A)
&rst
ixpk= 792, nxpk= 20, iat=1557, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1559,1560,
&end
#
# 0 AMB 20-2:799 104 GLN HA 3.50 (# 799:20 Single Ambig)
&rst
ixpk= 799, nxpk= 20, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1578,1579,1578,1579,
&end
#
# 100 LEU HG 0 AMB 20-1:800 4.50 (# 800:20 Single Ambig)
&rst
ixpk= 800, nxpk= 20, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1578,1579,1578,1579,
&end
#
# 104 GLN HN 0 AMB 20-1:801 4.50 (# 801:20 Single Ambig)
&rst
ixpk= 801, nxpk= 20, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1578,1579,1578,1579,
&end
#
# 105 ILE HN 0 AMB 20-1:802 4.50 (# 802:20 Single Ambig)
&rst
ixpk= 802, nxpk= 20, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1578,1579,1578,1579,
&end
#
# 104 GLN HE2+ 104 GLN HG+ 3.50 (# 803:20 Unique 2.12, 3.36 A)
&rst
ixpk= 803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1586,1587,
igr2=1581,1582,
&end
#
# 104 GLN HE2+ 104 GLN HG- 4.50 (# 804:20 Unique 2.12, 3.36 A)
&rst
ixpk= 804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1586,1587,
igr2=1581,1582,
&end
#
# 105 ILE HN 104 GLN HG+ 5.50 (# 805:20 Unique 4.01, 4.61 A)
&rst
ixpk= 805, nxpk= 20, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1581,1582,
&end
#
# 105 ILE HN 104 GLN HG- 4.50 (# 806:20 Unique 4.01, 4.61 A)
&rst
ixpk= 806, nxpk= 20, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1581,1582,
&end
#
# 104 GLN HN 104 GLN HG- 3.50 (# 807:20 Unique 2.01, 3.12 A)
&rst
ixpk= 807, nxpk= 20, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1581,1582,
&end
#
# 104 GLN HN 104 GLN HG+ 4.50 (# 808:20 Unique 2.01, 3.12 A)
&rst
ixpk= 808, nxpk= 20, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1581,1582,
&end
#
# 104 GLN HE2- 104 GLN HG+ 4.50 (# 809:20 Unique 2.12, 3.36 A)
&rst
ixpk= 809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1586,1587,
igr2=1581,1582,
&end
#
# 104 GLN HA 104 GLN HG- 3.50 (# 810:20 Unique 2.53, 2.94 A)
&rst
ixpk= 810, nxpk= 20, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1581,1582,
&end
#
# 104 GLN HA 104 GLN HG+ 4.50 (# 811:20 Unique 2.53, 2.94 A)
&rst
ixpk= 811, nxpk= 20, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1581,1582,
&end
#
# 100 LEU HG 104 GLN HG+ 4.50 (# 812:20 Unique 2.62, 4.90 A)
&rst
ixpk= 812, nxpk= 20, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1581,1582,
&end
#
# 100 LEU HG 104 GLN HG- 4.50 (# 813:20 Unique 2.62, 4.90 A)
&rst
ixpk= 813, nxpk= 20, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1581,1582,
&end
#
# 106 THR HN 105 ILE HA 4.50 (# 814:20 Unique 2.22, 2.31 A)
&rst
ixpk= 814, nxpk= 20, iat=1610,1593, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 ILE HA 105 ILE HA 5.50 (# 815:20 Unique 2.31, 2.49 A)
&rst
ixpk= 815, nxpk= 20, iat=1509,1593, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 ILE QG2 105 ILE HA 4.50 (# 816:20 Unique 2.31, 3.03 A)
&rst
ixpk= 816, nxpk= 20, iat= -1,1593, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1597,1598,1599,
&end
#
# 105 ILE HN 105 ILE HB 4.50 (# 817:20 Unique 2.77, 2.91 A)
&rst
ixpk= 817, nxpk= 20, iat=1591,1595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 ILE HA 105 ILE HB 4.50 (# 818:20 Unique 3.00, 3.02 A)
&rst
ixpk= 818, nxpk= 20, iat=1593,1595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 130 TRP HA 105 ILE HB 5.50 (# 819:20 Unique 4.05, 4.89 A)
&rst
ixpk= 819, nxpk= 20, iat=1944,1595, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:820 105 ILE HB 4.50 (# 820:20 Single Ambig)
&rst
ixpk= 820, nxpk= 20, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1601,1602,1601,1602,
&end
#
# 130 TRP HE3 105 ILE QD1 5.50 (# 821:20 Unique 3.19, 4.53 A)
&rst
ixpk= 821, nxpk= 20, iat=1961, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1604,1605,1606,
&end
#
# 105 ILE HN 105 ILE QD1 5.50 (# 822:20 Unique 2.95, 4.26 A)
&rst
ixpk= 822, nxpk= 20, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1604,1605,1606,
&end
#
# 130 TRP HN 105 ILE QD1 5.50 (# 823:20 Unique 2.23, 3.76 A)
&rst
ixpk= 823, nxpk= 20, iat=1942, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1604,1605,1606,
&end
#
# 0 AMB 20-2:824 105 ILE QD1 4.50 (# 824:20 Single Ambig)
&rst
ixpk= 824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1933,1593,
igr2=1604,1605,1606,
&end
#
# 0 AMB 20-2:825 105 ILE QD1 4.50 (# 825:20 Single Ambig)
&rst
ixpk= 825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1946,1947,1946,1947,
igr2=1604,1605,1606,
&end
#
# 0 AMB 20-2:826 105 ILE QD1 3.50 (# 826:20 Single Ambig)
&rst
ixpk= 826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1601,1602,1601,1602,
igr2=1604,1605,1606,
&end
#
# 99 ILE HG1+ 105 ILE QD1 4.50 (# 827:20 Unique 2.32, 4.08 A)
&rst
ixpk= 827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1517,1518,
igr2=1604,1605,1606,
&end
#
# 28 ILE QD1 105 ILE QD1 4.50 (# 828:20 Unique 2.29, 4.03 A)
&rst
ixpk= 828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 425, 426, 427,
igr2=1604,1605,1606,
&end
#
# 115 ALA HN 115 ALA MB 3.50 (# 829:20 Unique 2.40, 2.86 A)
&rst
ixpk= 829, nxpk= 20, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1752,1753,1754,
&end
#
# 79 GLU HA 115 ALA MB 4.50 (# 830:20 Unique 2.18, 3.29 A)
&rst
ixpk= 830, nxpk= 20, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1752,1753,1754,
&end
#
# 115 ALA HA 115 ALA MB 3.50 (# 831:20 Unique 2.42, 2.65 A)
&rst
ixpk= 831, nxpk= 20, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1752,1753,1754,
&end
#
# 0 AMB 20-2:832 115 ALA MB 4.50 (# 832:20 Single Ambig)
&rst
ixpk= 832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1229,1230,1229,1230,
igr2=1752,1753,1754,
&end
#
# 126 CYS HB- 105 ILE QG2 4.50 (# 833:20 Unique 3.88, 5.28 A)
&rst
ixpk= 833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1906,1907,
igr2=1597,1598,1599,
&end
#
# 0 AMB 20-2:835 105 ILE QG2 2.80 (# 835:20 Single Ambig)
&rst
ixpk= 835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1604,1605,1606,1481,1482,1483,1485,1486,1487,
igr2=1597,1598,1599,
&end
#
# 106 THR HN 106 THR HA 4.50 (# 836:20 Unique 2.77, 2.83 A)
&rst
ixpk= 836, nxpk= 20, iat=1610,1612, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 PRO HG+ 106 THR HA 5.50 (# 837:20 Unique 4.17, 4.48 A)
&rst
ixpk= 837, nxpk= 20, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1628,1629,
&end
#
# 106 THR MG2 106 THR HA 3.50 (# 838:20 Unique 2.45, 3.06 A)
&rst
ixpk= 838, nxpk= 20, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1616,1617,1618,
&end
#
# 97 VAL MGY 106 THR HB 4.50 (# 839:20 Unique 3.98, 5.66 A)
&rst
ixpk= 839, nxpk= 20, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 97 VAL MGX 106 THR HB 4.50 (# 840:20 Unique 3.98, 5.66 A)
&rst
ixpk= 840, nxpk= 20, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 105 ILE QG2 106 THR HB 5.50 (# 841:20 Unique 3.79, 5.58 A)
&rst
ixpk= 841, nxpk= 20, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1597,1598,1599,
&end
#
# 106 THR MG2 106 THR HB 3.50 (# 842:20 Unique 2.39, 2.64 A)
&rst
ixpk= 842, nxpk= 20, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1616,1617,1618,
&end
#
# 106 THR HN 106 THR HB 4.50 (# 843:20 Unique 2.31, 3.37 A)
&rst
ixpk= 843, nxpk= 20, iat=1610,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 VAL HN 106 THR HB 4.50 (# 844:20 Unique 2.31, 3.43 A)
&rst
ixpk= 844, nxpk= 20, iat=1491,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 VAL HN 106 THR MG2 4.50 (# 845:20 Unique 1.90, 3.14 A)
&rst
ixpk= 845, nxpk= 20, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1616,1617,1618,
&end
#
# 106 THR HN 106 THR MG2 4.50 (# 846:20 Unique 2.36, 3.41 A)
&rst
ixpk= 846, nxpk= 20, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1616,1617,1618,
&end
#
# 87 PHE HZ 106 THR MG2 4.50 (# 847:20 Unique 2.80, 4.26 A)
&rst
ixpk= 847, nxpk= 20, iat=1334, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1616,1617,1618,
&end
#
# 106 THR HA 106 THR MG2 3.50 (# 848:20 Unique 2.45, 3.06 A)
&rst
ixpk= 848, nxpk= 20, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1616,1617,1618,
&end
#
# 106 THR HB 106 THR MG2 3.50 (# 849:20 Unique 2.39, 2.64 A)
&rst
ixpk= 849, nxpk= 20, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1616,1617,1618,
&end
#
# 97 VAL MGY 106 THR MG2 4.50 (# 851:20 Unique 2.39, 6.52 A)
&rst
ixpk= 851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1481,1482,1483,1485,1486,1487,
igr2=1616,1617,1618,
&end
#
# 108 PHE HN 107 PRO HA 3.50 (# 852:20 Unique 2.14, 2.19 A)
&rst
ixpk= 852, nxpk= 20, iat=1638,1634, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 128 GLY HN 107 PRO HA 5.50 (# 853:20 Unique 2.75, 3.53 A)
&rst
ixpk= 853, nxpk= 20, iat=1924,1634, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 PHE HD 107 PRO HA 5.50 (# 854:20 Unique 3.29, 5.31 A)
&rst
ixpk= 854, nxpk= 20, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1646,1654,
&end
#
# 126 CYS HB- 107 PRO HA 3.50 (# 855:20 Unique 2.18, 3.23 A)
&rst
ixpk= 855, nxpk= 20, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1906,1907,
&end
#
# 107 PRO HB+ 107 PRO HA 3.50 (# 856:20 Unique 2.27, 2.63 A)
&rst
ixpk= 856, nxpk= 20, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1631,1632,
&end
#
# 107 PRO HG- 107 PRO HA 4.50 (# 857:20 Unique 2.75, 3.56 A)
&rst
ixpk= 857, nxpk= 20, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1628,1629,
&end
#
# 107 PRO HA 107 PRO HB+ 3.50 (# 860:20 Unique 2.27, 2.63 A)
&rst
ixpk= 860, nxpk= 20, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1631,1632,
&end
#
# 107 PRO HA 107 PRO HB- 3.50 (# 861:20 Unique 2.27, 2.63 A)
&rst
ixpk= 861, nxpk= 20, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1631,1632,
&end
#
# 127 SER HA 107 PRO HB+ 4.50 (# 862:20 Unique 2.55, 4.60 A)
&rst
ixpk= 862, nxpk= 20, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1631,1632,
&end
#
# 108 PHE HN 107 PRO HB- 5.50 (# 864:20 Unique 3.30, 3.85 A)
&rst
ixpk= 864, nxpk= 20, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1631,1632,
&end
#
# 108 PHE HN 107 PRO HB+ 5.50 (# 865:20 Unique 3.30, 3.85 A)
&rst
ixpk= 865, nxpk= 20, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1631,1632,
&end
#
# 109 SER HN 108 PHE HA 3.50 (# 866:20 Unique 2.29, 2.39 A)
&rst
ixpk= 866, nxpk= 20, iat=1658,1640, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 108 PHE HN 108 PHE HA 4.50 (# 867:20 Unique 2.86, 2.90 A)
&rst
ixpk= 867, nxpk= 20, iat=1638,1640, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 PHE HD 108 PHE HA 4.50 (# 868:20 Unique 4.12, 4.23 A)
&rst
ixpk= 868, nxpk= 20, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1646,1654,
&end
#
# 108 PHE HB- 108 PHE HA 3.50 (# 870:20 Unique 2.31, 2.45 A)
&rst
ixpk= 870, nxpk= 20, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1642,1643,
&end
#
# 86 PRO HD- 108 PHE HA 5.50 (# 871:20 Unique 2.00, 2.67 A)
&rst
ixpk= 871, nxpk= 20, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1309,1310,
&end
#
# 108 PHE HB+ 108 PHE HA 4.50 (# 872:20 Unique 2.31, 2.45 A)
&rst
ixpk= 872, nxpk= 20, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1642,1643,
&end
#
# 109 SER HN 108 PHE HB- 5.50 (# 873:20 Unique 2.35, 3.12 A)
&rst
ixpk= 873, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1642,1643,
&end
#
# 109 SER HN 108 PHE HB+ 4.50 (# 874:20 Unique 2.35, 3.12 A)
&rst
ixpk= 874, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1642,1643,
&end
#
# 108 PHE HD 108 PHE HB- 4.50 (# 875:20 Unique 2.34, 3.07 A)
&rst
ixpk= 875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1646,1654,
igr2=1642,1643,
&end
#
# 108 PHE HD 108 PHE HB+ 4.50 (# 876:20 Unique 2.34, 3.07 A)
&rst
ixpk= 876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1646,1654,
igr2=1642,1643,
&end
#
# 108 PHE HA 108 PHE HB- 4.50 (# 877:20 Unique 2.31, 2.45 A)
&rst
ixpk= 877, nxpk= 20, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1642,1643,
&end
#
# 108 PHE HA 108 PHE HB+ 4.50 (# 878:20 Unique 2.31, 2.45 A)
&rst
ixpk= 878, nxpk= 20, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1642,1643,
&end
#
# 110 LEU HN 109 SER HA 3.50 (# 879:20 Unique 2.06, 2.13 A)
&rst
ixpk= 879, nxpk= 20, iat=1669,1660, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 SER HN 109 SER HA 3.50 (# 880:20 Unique 2.95, 2.97 A)
&rst
ixpk= 880, nxpk= 20, iat=1658,1660, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:881 109 SER HA 3.50 (# 881:20 Single Ambig)
&rst
ixpk= 881, nxpk= 20, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1662,1663,1662,1663,
&end
#
# 125 VAL MGY 109 SER HA 4.50 (# 882:20 Unique 2.68, 4.37 A)
&rst
ixpk= 882, nxpk= 20, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1892,1893,1894,1896,1897,1898,
&end
#
# 110 LEU HN 0 AMB 20-1:883 4.50 (# 883:20 Single Ambig)
&rst
ixpk= 883, nxpk= 20, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1662,1663,1662,1663,
&end
#
# 109 SER HN 0 AMB 20-1:884 4.50 (# 884:20 Single Ambig)
&rst
ixpk= 884, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1662,1663,1662,1663,
&end
#
# 109 SER HA 0 AMB 20-1:885 3.50 (# 885:20 Single Ambig)
&rst
ixpk= 885, nxpk= 20, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1662,1663,1662,1663,
&end
#
# 108 PHE HA 0 AMB 20-1:886 5.50 (# 886:20 Single Ambig)
&rst
ixpk= 886, nxpk= 20, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1662,1663,1662,1663,
&end
#
# 125 VAL HA 0 AMB 20-1:887 4.50 (# 887:20 Single Ambig)
&rst
ixpk= 887, nxpk= 20, iat=1888, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1662,1663,1662,1663,
&end
#
# 0 AMB 20-2:888 0 AMB 20-1:888 6.50 (# 888:20 Double Ambig)
&rst
ixpk= 888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.81, r4=12.31,
igr1=1298,1299,1298,1299,1298,1299,
igr2=1662,1663,1662,1663,1662,1663,
&end
#
# 0 AMB 20-2:889 0 AMB 20-1:889 6.50 (# 889:20 Double Ambig)
&rst
ixpk= 889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.32, r4=10.82,
igr1=1295,1296,1295,1296,
igr2=1662,1663,1662,1663,
&end
#
# 123 THR MG2 0 AMB 20-1:890 4.50 (# 890:20 Single Ambig)
&rst
ixpk= 890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1859,1860,1861,
igr2=1662,1663,1662,1663,
&end
#
# 125 VAL MGY 0 AMB 20-1:891 3.50 (# 891:20 Single Ambig)
&rst
ixpk= 891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1892,1893,1894,1896,1897,1898,
igr2=1662,1663,1662,1663,
&end
#
# 84 LEU MDX 110 LEU HB- 5.50 (# 892:20 Unique 2.32, 5.18 A)
&rst
ixpk= 892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1281,1282,1283,1285,1286,1287,
igr2=1673,1674,
&end
#
# 84 LEU MDX 110 LEU HB+ 5.50 (# 893:20 Unique 2.32, 5.18 A)
&rst
ixpk= 893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1281,1282,1283,1285,1286,1287,
igr2=1673,1674,
&end
#
# 0 AMB 20-2:894 0 AMB 20-1:894 4.50 (# 894:20 Double Ambig)
&rst
ixpk= 894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1678,1679,1680,1682,1683,1684,1678,1679,1680,1682,
1683,1684,
igr2=1673,1674,1673,1674,
&end
#
# 0 AMB 20-2:895 110 LEU HB- 4.50 (# 895:20 Single Ambig)
&rst
ixpk= 895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1678,1679,1680,1682,1683,1684,1678,1679,1680,1682,
1683,1684,
igr2=1673,1674,
&end
#
# 110 LEU HN 110 LEU HB- 4.50 (# 898:20 Unique 2.09, 2.84 A)
&rst
ixpk= 898, nxpk= 20, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1673,1674,
&end
#
# 110 LEU HN 110 LEU HB+ 5.50 (# 899:20 Unique 2.09, 2.84 A)
&rst
ixpk= 899, nxpk= 20, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1673,1674,
&end
#
# 82 ILE QG2 110 LEU MDX 3.50 (# 903:20 Unique 2.38, 4.75 A)
&rst
ixpk= 903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1242,1243,1244,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 132 LEU MDX 110 LEU MDX 5.50 (# 904:20 Unique 3.08, 7.29 A)
&rst
ixpk= 904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1989,1990,1991,1993,1994,1995,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 110 LEU HG 110 LEU MDX 3.50 (# 905:20 Unique 2.44, 2.67 A)
&rst
ixpk= 905, nxpk= 20, iat=1676, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 0 AMB 20-2:906 110 LEU MDX 3.50 (# 906:20 Single Ambig)
&rst
ixpk= 906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1673,1674,1871,1872,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 110 LEU HB- 110 LEU MDX 3.50 (# 907:20 Unique 2.36, 3.32 A)
&rst
ixpk= 907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1673,1674,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 112 MET ME 110 LEU MDX 4.50 (# 908:20 Unique 2.69, 5.55 A)
&rst
ixpk= 908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1718,1719,1720,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 0 AMB 20-2:910 110 LEU MDX 4.50 (# 910:20 Single Ambig)
&rst
ixpk= 910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1690,1709,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 0 AMB 20-2:911 110 LEU MDX 4.50 (# 911:20 Single Ambig)
&rst
ixpk= 911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 628, 632,1650,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 111 LEU HN 110 LEU MDX 4.50 (# 912:20 Unique 2.17, 4.92 A)
&rst
ixpk= 912, nxpk= 20, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 108 PHE HE 110 LEU MDY 4.50 (# 916:20 Unique 2.51, 6.15 A)
&rst
ixpk= 916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1648,1652,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 0 AMB 20-2:917 110 LEU MDY 4.50 (# 917:20 Single Ambig)
&rst
ixpk= 917, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 628, 632,1650,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 112 MET ME 110 LEU MDY 4.50 (# 920:20 Unique 2.69, 5.55 A)
&rst
ixpk= 920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1718,1719,1720,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 110 LEU HB- 110 LEU MDY 3.50 (# 921:20 Unique 2.36, 3.32 A)
&rst
ixpk= 921, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1673,1674,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 0 AMB 20-2:922 110 LEU MDY 3.50 (# 922:20 Single Ambig)
&rst
ixpk= 922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1673,1674,1871,1872,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 110 LEU HG 110 LEU MDY 3.50 (# 923:20 Unique 2.44, 2.67 A)
&rst
ixpk= 923, nxpk= 20, iat=1676, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 124 LEU MDX 110 LEU MDY 4.50 (# 924:20 Unique 2.30, 5.69 A)
&rst
ixpk= 924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1876,1877,1878,1880,1881,1882,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 82 ILE QG2 110 LEU MDY 3.50 (# 925:20 Unique 2.38, 4.75 A)
&rst
ixpk= 925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1242,1243,1244,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 112 MET HN 0 AMB 20-1:926 4.50 (# 926:20 Single Ambig)
&rst
ixpk= 926, nxpk= 20, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1690,1709,
&end
#
# 123 THR HA 111 LEU HA 4.50 (# 927:20 Unique 2.06, 2.21 A)
&rst
ixpk= 927, nxpk= 20, iat=1855,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 LEU HB- 111 LEU HA 6.50 (# 928:20 Unique 2.39, 2.76 A)
&rst
ixpk= 928, nxpk= 20, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1692,1693,
&end
#
# 111 LEU HB+ 111 LEU HA 4.50 (# 929:20 Unique 2.39, 2.76 A)
&rst
ixpk= 929, nxpk= 20, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1692,1693,
&end
#
# 0 AMB 20-2:930 0 AMB 20-1:930 4.50 (# 930:20 Double Ambig)
&rst
ixpk= 930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1697,1698,1699,1701,1702,1703,1215,1216,1217,1219,
1220,1221,
igr2=1690,1709,
&end
#
# 123 THR MG2 111 LEU HA 5.50 (# 931:20 Unique 2.50, 3.90 A)
&rst
ixpk= 931, nxpk= 20, iat= -1,1690, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1859,1860,1861,
&end
#
# 111 LEU HN 111 LEU HB+ 4.50 (# 932:20 Unique 2.28, 2.69 A)
&rst
ixpk= 932, nxpk= 20, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1692,1693,
&end
#
# 111 LEU HN 111 LEU HB- 4.50 (# 933:20 Unique 2.28, 2.69 A)
&rst
ixpk= 933, nxpk= 20, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1692,1693,
&end
#
# 111 LEU HA 111 LEU HB- 4.50 (# 934:20 Unique 2.39, 2.76 A)
&rst
ixpk= 934, nxpk= 20, iat=1690, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1692,1693,
&end
#
# 111 LEU HA 111 LEU HB+ 4.50 (# 935:20 Unique 2.39, 2.76 A)
&rst
ixpk= 935, nxpk= 20, iat=1690, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1692,1693,
&end
#
# 111 LEU MDY 111 LEU HB+ 3.50 (# 936:20 Unique 2.26, 3.28 A)
&rst
ixpk= 936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1697,1698,1699,1701,1702,1703,
igr2=1692,1693,
&end
#
# 111 LEU MDX 111 LEU HB+ 3.50 (# 937:20 Unique 2.26, 3.28 A)
&rst
ixpk= 937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1697,1698,1699,1701,1702,1703,
igr2=1692,1693,
&end
#
# 111 LEU MDY 111 LEU HB- 4.50 (# 938:20 Unique 2.26, 3.28 A)
&rst
ixpk= 938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1697,1698,1699,1701,1702,1703,
igr2=1692,1693,
&end
#
# 112 MET HN 111 LEU HG 5.50 (# 940:20 Unique 2.12, 2.57 A)
&rst
ixpk= 940, nxpk= 20, iat=1707,1695, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 LEU HN 111 LEU HG 4.50 (# 941:20 Unique 4.26, 4.50 A)
&rst
ixpk= 941, nxpk= 20, iat=1688,1695, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 LEU HA 111 LEU HG 4.50 (# 942:20 Unique 2.32, 2.42 A)
&rst
ixpk= 942, nxpk= 20, iat=1690,1695, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:943 111 LEU HG 3.50 (# 943:20 Single Ambig)
&rst
ixpk= 943, nxpk= 20, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1692,1693,1808,1809,
&end
#
# 111 LEU HB+ 111 LEU HG 2.80 (# 944:20 Unique 2.37, 2.83 A)
&rst
ixpk= 944, nxpk= 20, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1692,1693,
&end
#
# 111 LEU MDX 111 LEU HG 3.50 (# 945:20 Unique 2.32, 2.65 A)
&rst
ixpk= 945, nxpk= 20, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1697,1698,1699,1701,1702,1703,
&end
#
# 111 LEU MDY 111 LEU HG 3.50 (# 946:20 Unique 2.32, 2.65 A)
&rst
ixpk= 946, nxpk= 20, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1697,1698,1699,1701,1702,1703,
&end
#
# 112 MET HN 111 LEU MDX 4.50 (# 947:20 Unique 1.84, 4.28 A)
&rst
ixpk= 947, nxpk= 20, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 121 LEU HN 111 LEU MDX 4.50 (# 948:20 Unique 3.70, 5.73 A)
&rst
ixpk= 948, nxpk= 20, iat=1815, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 122 LEU HN 111 LEU MDX 4.50 (# 949:20 Unique 3.84, 6.02 A)
&rst
ixpk= 949, nxpk= 20, iat=1834, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 123 THR HA 111 LEU MDX 4.50 (# 950:20 Unique 3.72, 5.38 A)
&rst
ixpk= 950, nxpk= 20, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 0 AMB 20-2:951 111 LEU MDX 3.50 (# 951:20 Single Ambig)
&rst
ixpk= 951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1690,1709,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 0 AMB 20-2:952 111 LEU MDX 4.50 (# 952:20 Single Ambig)
&rst
ixpk= 952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1811,2063,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 120 PRO HB- 111 LEU MDX 3.50 (# 953:20 Unique 2.17, 4.25 A)
&rst
ixpk= 953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1808,1809,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 0 AMB 20-2:954 111 LEU MDX 3.50 (# 954:20 Single Ambig)
&rst
ixpk= 954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1808,1809,1692,1693,2075,2076,2075,2076,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 120 PRO HG+ 111 LEU MDX 3.50 (# 955:20 Unique 2.31, 4.62 A)
&rst
ixpk= 955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1805,1806,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 111 LEU HB+ 111 LEU MDX 3.50 (# 956:20 Unique 2.26, 3.28 A)
&rst
ixpk= 956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1692,1693,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 111 LEU HG 111 LEU MDX 3.50 (# 957:20 Unique 2.32, 2.65 A)
&rst
ixpk= 957, nxpk= 20, iat=1695, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 0 AMB 20-2:960 111 LEU MDY 4.50 (# 960:20 Single Ambig)
&rst
ixpk= 960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1690,1709,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 0 AMB 20-2:961 111 LEU MDY 5.50 (# 961:20 Single Ambig)
&rst
ixpk= 961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1811,2063,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 83 HIS HB+ 111 LEU MDY 4.50 (# 962:20 Unique 2.54, 5.15 A)
&rst
ixpk= 962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1259,1260,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 83 HIS HB- 111 LEU MDY 4.50 (# 963:20 Unique 2.54, 5.15 A)
&rst
ixpk= 963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1259,1260,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 120 PRO HG+ 111 LEU MDY 4.50 (# 965:20 Unique 2.31, 4.62 A)
&rst
ixpk= 965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1805,1806,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 0 AMB 20-2:966 111 LEU MDY 3.50 (# 966:20 Single Ambig)
&rst
ixpk= 966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1808,1809,1692,1693,2075,2076,2075,2076,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 111 LEU HB+ 111 LEU MDY 4.50 (# 967:20 Unique 2.26, 3.28 A)
&rst
ixpk= 967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1692,1693,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 111 LEU HG 111 LEU MDY 3.50 (# 968:20 Unique 2.32, 2.65 A)
&rst
ixpk= 968, nxpk= 20, iat=1695, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 113 ALA MB 111 LEU MDY 4.50 (# 969:20 Unique 2.90, 5.91 A)
&rst
ixpk= 969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1728,1729,1730,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 112 MET HA 0 AMB 20-1:970 4.50 (# 970:20 Single Ambig)
&rst
ixpk= 970, nxpk= 20, iat=1709, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1711,1712,1711,1712,
&end
#
# 0 AMB 20-2:973 0 AMB 20-1:973 4.50 (# 973:20 Double Ambig)
&rst
ixpk= 973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1215,1216,1217,1219,1220,1221,1824,1825,1826,1828,
1829,1830,
igr2=1711,1712,1711,1712,1711,1712,
&end
#
# 121 LEU HN 113 ALA HA 5.50 (# 974:20 Unique 2.06, 2.64 A)
&rst
ixpk= 974, nxpk= 20, iat=1815,1726, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 ASN HN 113 ALA HA 4.50 (# 975:20 Unique 2.23, 2.26 A)
&rst
ixpk= 975, nxpk= 20, iat=1734,1726, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 120 PRO HA 113 ALA HA 6.50 (# 976:20 Unique 2.02, 2.24 A)
&rst
ixpk= 976, nxpk= 20, iat=1811,1726, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 122 LEU HB- 113 ALA HA 6.50 (# 977:20 Unique 5.92, 6.78 A)
&rst
ixpk= 977, nxpk= 20, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1838,1839,
&end
#
# 113 ALA MB 113 ALA HA 4.50 (# 978:20 Unique 2.43, 2.65 A)
&rst
ixpk= 978, nxpk= 20, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1728,1729,1730,
&end
#
# 113 ALA HN 113 ALA MB 4.50 (# 979:20 Unique 2.46, 3.10 A)
&rst
ixpk= 979, nxpk= 20, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1728,1729,1730,
&end
#
# 119 GLU HN 113 ALA MB 5.50 (# 980:20 Unique 3.04, 4.83 A)
&rst
ixpk= 980, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1728,1729,1730,
&end
#
# 83 HIS HD2 113 ALA MB 4.50 (# 981:20 Unique 2.86, 3.94 A)
&rst
ixpk= 981, nxpk= 20, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1728,1729,1730,
&end
#
# 80 LEU HA 0 AMB 20-1:982 5.50 (# 982:20 Single Ambig)
&rst
ixpk= 982, nxpk= 20, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2=1728,1729,1730, 116, 117, 118, 120, 121, 122,
&end
#
# 11 THR HB 8 VAL MGX 4.50 (# 983:20 Unique 3.03, 5.07 A)
&rst
ixpk= 983, nxpk= 20, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 120 PRO HA 113 ALA MB 3.50 (# 984:20 Unique 2.54, 3.63 A)
&rst
ixpk= 984, nxpk= 20, iat=1811, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1728,1729,1730,
&end
#
# 118 GLY HA+ 113 ALA MB 4.50 (# 985:20 Unique 4.25,10.67 A)
&rst
ixpk= 985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1781,1782,
igr2=1728,1729,1730,
&end
#
# 115 ALA HN 114 ASN HA 3.50 (# 986:20 Unique 2.16, 2.21 A)
&rst
ixpk= 986, nxpk= 20, iat=1748,1736, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:987 114 ASN HA 5.50 (# 987:20 Single Ambig)
&rst
ixpk= 987, nxpk= 20, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1758,1779,
&end
#
# 80 LEU HA 114 ASN HA 5.50 (# 988:20 Unique 2.98, 3.21 A)
&rst
ixpk= 988, nxpk= 20, iat=1208,1736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 ASN HB- 114 ASN HA 4.50 (# 989:20 Unique 2.31, 2.71 A)
&rst
ixpk= 989, nxpk= 20, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1738,1739,
&end
#
# 114 ASN HB+ 114 ASN HA 4.50 (# 990:20 Unique 2.31, 2.71 A)
&rst
ixpk= 990, nxpk= 20, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1738,1739,
&end
#
# 9 ALA MB 114 ASN HA 4.50 (# 991:20 Unique 2.20, 2.97 A)
&rst
ixpk= 991, nxpk= 20, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 130, 131, 132,
&end
#
# 80 LEU HB+ 114 ASN HA 5.50 (# 992:20 Unique 4.56, 5.69 A)
&rst
ixpk= 992, nxpk= 20, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1210,1211,
&end
#
# 0 AMB 20-2:993 114 ASN HA 4.50 (# 993:20 Single Ambig)
&rst
ixpk= 993, nxpk= 20, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1215,1216,1217,1219,1220,1221,1824,1825,1826,1828,
1829,1830,
&end
#
# 121 LEU HG 114 ASN HA 4.50 (# 994:20 Unique 3.87, 4.39 A)
&rst
ixpk= 994, nxpk= 20, iat=1822,1736, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 114 ASN HN 114 ASN HB- 4.50 (# 995:20 Unique 2.14, 2.46 A)
&rst
ixpk= 995, nxpk= 20, iat=1734, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1738,1739,
&end
#
# 114 ASN HN 114 ASN HB+ 4.50 (# 996:20 Unique 2.14, 2.46 A)
&rst
ixpk= 996, nxpk= 20, iat=1734, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1738,1739,
&end
#
# 114 ASN HD2- 114 ASN HB+ 4.50 (# 997:20 Unique 2.21, 3.14 A)
&rst
ixpk= 997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1743,1744,
igr2=1738,1739,
&end
#
# 114 ASN HD2- 114 ASN HB- 5.50 (# 998:20 Unique 2.21, 3.14 A)
&rst
ixpk= 998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1743,1744,
igr2=1738,1739,
&end
#
# 119 GLU HN 114 ASN HB- 5.50 (# 999:20 Unique 2.74, 3.83 A)
&rst
ixpk= 999, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1738,1739,
&end
#
# 114 ASN HD2+ 114 ASN HB+ 5.50 (# 1000:20 Unique 2.21, 3.14 A)
&rst
ixpk= 1000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1743,1744,
igr2=1738,1739,
&end
#
# 114 ASN HA 114 ASN HB+ 4.50 (# 1001:20 Unique 2.31, 2.71 A)
&rst
ixpk= 1001, nxpk= 20, iat=1736, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1738,1739,
&end
#
# 0 AMB 20-2:1002 114 ASN HB- 4.50 (# 1002:20 Single Ambig)
&rst
ixpk= 1002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1736,1769,
igr2=1738,1739,
&end
#
# 119 GLU HB- 114 ASN HB- 4.50 (# 1003:20 Unique 2.92, 4.74 A)
&rst
ixpk= 1003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1790,1791,
igr2=1738,1739,
&end
#
# 0 AMB 20-2:1004 0 AMB 20-1:1004 5.50 (# 1004:20 Double Ambig)
&rst
ixpk= 1004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1824,1825,1826,1828,1829,1830,1824,1825,1826,1828,
1829,1830,
igr2=1738,1739,1738,1739,
&end
#
# 121 LEU MDY 114 ASN HB- 5.50 (# 1005:20 Unique 2.07, 4.24 A)
&rst
ixpk= 1005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1824,1825,1826,1828,1829,1830,
igr2=1738,1739,
&end
#
# 121 LEU HG 114 ASN HB+ 5.50 (# 1006:20 Unique 2.80, 4.24 A)
&rst
ixpk= 1006, nxpk= 20, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1738,1739,
&end
#
# 116 GLY HN 115 ALA MB 4.50 (# 1007:20 Unique 3.06, 3.88 A)
&rst
ixpk= 1007, nxpk= 20, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1752,1753,1754,
&end
#
# 108 PHE HD 105 ILE QG2 4.50 (# 1008:20 Unique 3.24, 6.17 A)
&rst
ixpk= 1008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1646,1654,
igr2=1597,1598,1599,
&end
#
# 80 LEU HA 115 ALA MB 4.50 (# 1009:20 Unique 2.87, 4.15 A)
&rst
ixpk= 1009, nxpk= 20, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1752,1753,1754,
&end
#
# 114 ASN HA 115 ALA MB 4.50 (# 1010:20 Unique 4.42, 4.97 A)
&rst
ixpk= 1010, nxpk= 20, iat=1736, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1752,1753,1754,
&end
#
# 0 AMB 20-2:1011 0 AMB 20-1:1011 4.50 (# 1011:20 Double Ambig)
&rst
ixpk= 1011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1=1513,1514,1515,1215,1216,1217,1219,1220,1221,
igr2=1597,1598,1599,1752,1753,1754,
&end
#
# 116 GLY HN 116 GLY HA- 4.50 (# 1012:20 Unique 2.28, 7.32 A)
&rst
ixpk= 1012, nxpk= 20, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1760,1761,
&end
#
# 116 GLY HN 116 GLY HA+ 4.50 (# 1013:20 Unique 2.28, 7.32 A)
&rst
ixpk= 1013, nxpk= 20, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1760,1761,
&end
#
# 117 THR HN 116 GLY HA- 5.50 (# 1014:20 Unique 2.61, 6.62 A)
&rst
ixpk= 1014, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1760,1761,
&end
#
# 117 THR HN 116 GLY HA+ 5.50 (# 1015:20 Unique 2.61, 6.62 A)
&rst
ixpk= 1015, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1760,1761,
&end
#
# 135 THR HN 135 THR HA 4.50 (# 1016:20 Unique 2.94, 2.98 A)
&rst
ixpk= 1016, nxpk= 20, iat=2028,2030, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 THR HN 117 THR HA 5.50 (# 1017:20 Unique 2.90, 2.94 A)
&rst
ixpk= 1017, nxpk= 20, iat=1765,1767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 THR HB 135 THR HA 5.50 (# 1018:20 Unique 2.45, 2.52 A)
&rst
ixpk= 1018, nxpk= 20, iat=2032,2030, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1019 117 THR MG2 4.50 (# 1019:20 Single Ambig)
&rst
ixpk= 1019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1758,1779,
igr2=1771,1772,1773,
&end
#
# 114 ASN HD2- 117 THR MG2 5.50 (# 1020:20 Unique 2.46, 4.37 A)
&rst
ixpk= 1020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1743,1744,
igr2=1771,1772,1773,
&end
#
# 119 GLU HN 117 THR MG2 5.50 (# 1021:20 Unique 3.91, 4.86 A)
&rst
ixpk= 1021, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1771,1772,1773,
&end
#
# 117 THR HN 117 THR MG2 6.50 (# 1022:20 Unique 2.33, 3.58 A)
&rst
ixpk= 1022, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1771,1772,1773,
&end
#
# 114 ASN HD2+ 117 THR MG2 5.50 (# 1023:20 Unique 2.46, 4.37 A)
&rst
ixpk= 1023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1743,1744,
igr2=1771,1772,1773,
&end
#
# 117 THR HA 117 THR MG2 3.50 (# 1024:20 Unique 2.38, 3.09 A)
&rst
ixpk= 1024, nxpk= 20, iat=1767, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1771,1772,1773,
&end
#
# 117 THR HB 117 THR MG2 3.50 (# 1025:20 Unique 2.40, 2.66 A)
&rst
ixpk= 1025, nxpk= 20, iat=1769, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1771,1772,1773,
&end
#
# 118 GLY HN 118 GLY HA- 4.50 (# 1026:20 Unique 2.91, 6.95 A)
&rst
ixpk= 1026, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1781,1782,
&end
#
# 118 GLY HN 118 GLY HA+ 4.50 (# 1027:20 Unique 2.91, 6.95 A)
&rst
ixpk= 1027, nxpk= 20, iat=1779, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1781,1782,
&end
#
# 113 ALA MB 118 GLY HA- 4.50 (# 1028:20 Unique 4.25,10.67 A)
&rst
ixpk= 1028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1728,1729,1730,
igr2=1781,1782,
&end
#
# 119 GLU HB+ 119 GLU HA 3.50 (# 1029:20 Unique 2.28, 2.75 A)
&rst
ixpk= 1029, nxpk= 20, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1790,1791,
&end
#
# 120 PRO HG- 119 GLU HA 4.50 (# 1030:20 Unique 4.21, 4.48 A)
&rst
ixpk= 1030, nxpk= 20, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1805,1806,
&end
#
# 0 AMB 20-2:1031 119 GLU HA 3.50 (# 1031:20 Single Ambig)
&rst
ixpk= 1031, nxpk= 20, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1793,1794,1793,1794,
&end
#
# 118 GLY HA+ 119 GLU HA 4.50 (# 1032:20 Unique 4.46, 8.53 A)
&rst
ixpk= 1032, nxpk= 20, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1781,1782,
&end
#
# 0 AMB 20-2:1033 119 GLU HA 3.50 (# 1033:20 Single Ambig)
&rst
ixpk= 1033, nxpk= 20, iat= -1,1788, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1802,1803,1802,1803,
&end
#
# 119 GLU HN 119 GLU HA 4.50 (# 1034:20 Unique 2.90, 2.94 A)
&rst
ixpk= 1034, nxpk= 20, iat=1786,1788, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 133 ASP HN 132 LEU HA 3.50 (# 1035:20 Unique 2.13, 2.29 A)
&rst
ixpk= 1035, nxpk= 20, iat=1999,1982, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1036 5 ARG HB- 4.50 (# 1036:20 Single Ambig)
&rst
ixpk= 1036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 69, 70, 69, 70,
igr2= 63, 64,
&end
#
# 118 GLY HA+ 119 GLU HB- 6.50 (# 1037:20 Unique 4.65, 8.68 A)
&rst
ixpk= 1037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1781,1782,
igr2=1790,1791,
&end
#
# 118 GLY HA+ 119 GLU HB+ 5.50 (# 1038:20 Unique 4.65, 8.68 A)
&rst
ixpk= 1038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1781,1782,
igr2=1790,1791,
&end
#
# 119 GLU HN 0 AMB 20-1:1039 3.50 (# 1039:20 Single Ambig)
&rst
ixpk= 1039, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1793,1794,1793,1794,
&end
#
# 119 GLU HA 0 AMB 20-1:1040 3.50 (# 1040:20 Single Ambig)
&rst
ixpk= 1040, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1793,1794,1793,1794,
&end
#
# 0 AMB 20-2:1041 0 AMB 20-1:1041 4.50 (# 1041:20 Double Ambig)
&rst
ixpk= 1041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1802,1803,1802,1803,1802,1803,
igr2=1793,1794,1793,1794,1793,1794,
&end
#
# 121 LEU MDY 0 AMB 20-1:1043 4.50 (# 1043:20 Single Ambig)
&rst
ixpk= 1043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1824,1825,1826,1828,1829,1830,
igr2=1793,1794,1793,1794,
&end
#
# 121 LEU HN 120 PRO HA 3.50 (# 1044:20 Unique 2.09, 2.17 A)
&rst
ixpk= 1044, nxpk= 20, iat=1815,1811, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 LEU HN 120 PRO HA 6.50 (# 1045:20 Unique 3.47, 3.96 A)
&rst
ixpk= 1045, nxpk= 20, iat=1834,1811, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 113 ALA HA 120 PRO HA 5.50 (# 1046:20 Unique 2.02, 2.24 A)
&rst
ixpk= 1046, nxpk= 20, iat=1726,1811, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 LEU HA 120 PRO HA 5.50 (# 1047:20 Unique 4.44, 4.50 A)
&rst
ixpk= 1047, nxpk= 20, iat=1817,1811, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 PRO HB- 120 PRO HA 3.50 (# 1049:20 Unique 2.28, 2.64 A)
&rst
ixpk= 1049, nxpk= 20, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1808,1809,
&end
#
# 120 PRO HG+ 120 PRO HA 4.50 (# 1050:20 Unique 2.75, 3.53 A)
&rst
ixpk= 1050, nxpk= 20, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1805,1806,
&end
#
# 120 PRO HB+ 120 PRO HA 3.50 (# 1051:20 Unique 2.28, 2.64 A)
&rst
ixpk= 1051, nxpk= 20, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1808,1809,
&end
#
# 113 ALA MB 120 PRO HA 3.50 (# 1052:20 Unique 2.54, 3.63 A)
&rst
ixpk= 1052, nxpk= 20, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1728,1729,1730,
&end
#
# 121 LEU HN 120 PRO HB- 5.50 (# 1053:20 Unique 3.15, 3.67 A)
&rst
ixpk= 1053, nxpk= 20, iat=1815, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1808,1809,
&end
#
# 121 LEU HN 120 PRO HB+ 5.50 (# 1054:20 Unique 3.15, 3.67 A)
&rst
ixpk= 1054, nxpk= 20, iat=1815, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1808,1809,
&end
#
# 137 ALA HA 120 PRO HB- 3.50 (# 1055:20 Unique 2.45, 3.29 A)
&rst
ixpk= 1055, nxpk= 20, iat=2063, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1808,1809,
&end
#
# 0 AMB 20-2:1056 0 AMB 20-1:1056 3.50 (# 1056:20 Double Ambig)
&rst
ixpk= 1056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1811,2063,
igr2=1808,1809,1808,1809,
&end
#
# 0 AMB 20-2:1057 0 AMB 20-1:1057 4.50 (# 1057:20 Double Ambig)
&rst
ixpk= 1057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1802,1803,1802,1803,
igr2=1808,1809,1808,1809,
&end
#
# 111 LEU MDX 120 PRO HB- 3.50 (# 1060:20 Unique 2.17, 4.25 A)
&rst
ixpk= 1060, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1697,1698,1699,1701,1702,1703,
igr2=1808,1809,
&end
#
# 111 LEU MDY 120 PRO HB- 4.50 (# 1061:20 Unique 2.17, 4.25 A)
&rst
ixpk= 1061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1697,1698,1699,1701,1702,1703,
igr2=1808,1809,
&end
#
# 137 ALA MB 120 PRO HB- 4.50 (# 1062:20 Unique 2.34, 4.36 A)
&rst
ixpk= 1062, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2065,2066,2067,
igr2=1808,1809,
&end
#
# 0 AMB 20-2:1063 120 PRO HG- 4.50 (# 1063:20 Single Ambig)
&rst
ixpk= 1063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1811,2063,
igr2=1805,1806,
&end
#
# 0 AMB 20-2:1064 0 AMB 20-1:1064 4.50 (# 1064:20 Double Ambig)
&rst
ixpk= 1064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1811,2063,
igr2=1805,1806,1805,1806,
&end
#
# 0 AMB 20-2:1065 120 PRO HG- 3.50 (# 1065:20 Single Ambig)
&rst
ixpk= 1065, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1802,1803,1802,1803,
igr2=1805,1806,
&end
#
# 0 AMB 20-2:1067 0 AMB 20-1:1067 3.50 (# 1067:20 Double Ambig)
&rst
ixpk= 1067, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1802,1803,1802,1803,
igr2=1805,1806,1805,1806,
&end
#
# 119 GLU HA 0 AMB 20-1:1068 3.50 (# 1068:20 Single Ambig)
&rst
ixpk= 1068, nxpk= 20, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1802,1803,1802,1803,
&end
#
# 120 PRO HA 0 AMB 20-1:1069 4.50 (# 1069:20 Single Ambig)
&rst
ixpk= 1069, nxpk= 20, iat=1811, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1802,1803,1802,1803,
&end
#
# 0 AMB 20-2:1072 0 AMB 20-1:1072 3.50 (# 1072:20 Double Ambig)
&rst
ixpk= 1072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1805,1806,1805,1806,1790,1791,1790,1791,
igr2=1802,1803,1802,1803,1802,1803,
&end
#
# 0 AMB 20-2:1073 0 AMB 20-1:1073 4.50 (# 1073:20 Double Ambig)
&rst
ixpk= 1073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1808,1809,1808,1809,
igr2=1802,1803,1802,1803,
&end
#
# 121 LEU HG 121 LEU HB- 4.50 (# 1074:20 Unique 2.31, 2.39 A)
&rst
ixpk= 1074, nxpk= 20, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1819,1820,
&end
#
# 121 LEU HG 121 LEU HB+ 4.50 (# 1075:20 Unique 2.31, 2.39 A)
&rst
ixpk= 1075, nxpk= 20, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1819,1820,
&end
#
# 121 LEU HA 121 LEU HB+ 4.50 (# 1076:20 Unique 2.27, 2.73 A)
&rst
ixpk= 1076, nxpk= 20, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1819,1820,
&end
#
# 114 ASN HN 121 LEU HG 4.50 (# 1077:20 Unique 3.93, 4.45 A)
&rst
ixpk= 1077, nxpk= 20, iat=1734,1822, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 113 ALA HA 121 LEU HG 5.50 (# 1078:20 Unique 4.55, 4.98 A)
&rst
ixpk= 1078, nxpk= 20, iat=1726,1822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 LEU HA 121 LEU HG 5.50 (# 1079:20 Unique 3.67, 3.86 A)
&rst
ixpk= 1079, nxpk= 20, iat=1817,1822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 ASN HA 121 LEU HG 4.50 (# 1080:20 Unique 3.87, 4.39 A)
&rst
ixpk= 1080, nxpk= 20, iat=1736,1822, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 ASN HA 121 LEU HG 4.50 (# 1081:20 Unique 2.10, 2.42 A)
&rst
ixpk= 1081, nxpk= 20, iat= 138,1822, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 122 LEU HB- 121 LEU HG 5.50 (# 1084:20 Unique 4.37, 5.60 A)
&rst
ixpk= 1084, nxpk= 20, iat= -1,1822, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1838,1839,
&end
#
# 0 AMB 20-2:1085 121 LEU HG 3.50 (# 1085:20 Single Ambig)
&rst
ixpk= 1085, nxpk= 20, iat= -1,1822, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 192, 193, 194, 130, 131, 132,
&end
#
# 121 LEU HB+ 121 LEU HG 4.50 (# 1086:20 Unique 2.31, 2.39 A)
&rst
ixpk= 1086, nxpk= 20, iat= -1,1822, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1819,1820,
&end
#
# 0 AMB 20-2:1087 121 LEU HG 4.50 (# 1087:20 Single Ambig)
&rst
ixpk= 1087, nxpk= 20, iat= -1,1822, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1824,1825,1826,1828,1829,1830,1215,1216,1217,1219,
1220,1221,
&end
#
# 123 THR HN 122 LEU HA 5.50 (# 1088:20 Unique 2.16, 2.22 A)
&rst
ixpk= 1088, nxpk= 20, iat=1853,1836, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1089 122 LEU HA 6.50 (# 1089:20 Single Ambig)
&rst
ixpk= 1089, nxpk= 20, iat= -1,1836, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
igr1=1711,1712,1711,1712, 205, 206,2078,2079,
&end
#
# 123 THR HN 122 LEU HB- 6.50 (# 1090:20 Unique 2.78, 3.92 A)
&rst
ixpk= 1090, nxpk= 20, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1838,1839,
&end
#
# 123 THR HN 122 LEU HB+ 6.50 (# 1091:20 Unique 2.78, 3.92 A)
&rst
ixpk= 1091, nxpk= 20, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1838,1839,
&end
#
# 122 LEU HN 122 LEU HB- 5.50 (# 1092:20 Unique 2.58, 2.99 A)
&rst
ixpk= 1092, nxpk= 20, iat=1834, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1838,1839,
&end
#
# 122 LEU HN 122 LEU HB+ 5.50 (# 1093:20 Unique 2.58, 2.99 A)
&rst
ixpk= 1093, nxpk= 20, iat=1834, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1838,1839,
&end
#
# 122 LEU HA 122 LEU HB+ 4.50 (# 1094:20 Unique 2.57, 2.88 A)
&rst
ixpk= 1094, nxpk= 20, iat=1836, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1838,1839,
&end
#
# 122 LEU HA 122 LEU HB- 4.50 (# 1095:20 Unique 2.57, 2.88 A)
&rst
ixpk= 1095, nxpk= 20, iat=1836, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1838,1839,
&end
#
# 122 LEU MDX 122 LEU HB- 3.50 (# 1096:20 Unique 2.26, 3.26 A)
&rst
ixpk= 1096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1843,1844,1845,1847,1848,1849,
igr2=1838,1839,
&end
#
# 122 LEU MDX 122 LEU HB+ 3.50 (# 1097:20 Unique 2.26, 3.26 A)
&rst
ixpk= 1097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1843,1844,1845,1847,1848,1849,
igr2=1838,1839,
&end
#
# 122 LEU HN 122 LEU HG 5.50 (# 1098:20 Unique 3.54, 4.41 A)
&rst
ixpk= 1098, nxpk= 20, iat=1834,1841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ALA HN 122 LEU MDX 5.50 (# 1099:20 Unique 3.87, 5.66 A)
&rst
ixpk= 1099, nxpk= 20, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1843,1844,1845,1847,1848,1849,
&end
#
# 0 AMB 20-2:1100 122 LEU MDX 4.50 (# 1100:20 Single Ambig)
&rst
ixpk= 1100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 188,1886,
igr2=1843,1844,1845,1847,1848,1849,
&end
#
# 14 ARG HN 122 LEU MDX 5.50 (# 1101:20 Unique 3.23, 5.20 A)
&rst
ixpk= 1101, nxpk= 20, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1843,1844,1845,1847,1848,1849,
&end
#
# 122 LEU HN 122 LEU MDX 5.50 (# 1102:20 Unique 3.87, 5.47 A)
&rst
ixpk= 1102, nxpk= 20, iat=1834, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1843,1844,1845,1847,1848,1849,
&end
#
# 122 LEU HA 122 LEU MDX 4.50 (# 1103:20 Unique 2.23, 3.98 A)
&rst
ixpk= 1103, nxpk= 20, iat=1836, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1843,1844,1845,1847,1848,1849,
&end
#
# 14 ARG HA 122 LEU MDX 3.50 (# 1104:20 Unique 2.36, 3.91 A)
&rst
ixpk= 1104, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1843,1844,1845,1847,1848,1849,
&end
#
# 17 ALA HA 122 LEU MDX 5.50 (# 1105:20 Unique 4.62, 6.37 A)
&rst
ixpk= 1105, nxpk= 20, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1843,1844,1845,1847,1848,1849,
&end
#
# 0 AMB 20-2:1106 122 LEU MDX 5.50 (# 1106:20 Single Ambig)
&rst
ixpk= 1106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 208, 209, 208, 209,
igr2=1843,1844,1845,1847,1848,1849,
&end
#
# 112 MET HG+ 122 LEU MDX 4.50 (# 1107:20 Unique 3.58, 6.73 A)
&rst
ixpk= 1107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1714,1715,
igr2=1843,1844,1845,1847,1848,1849,
&end
#
# 0 AMB 20-2:1108 122 LEU MDX 3.50 (# 1108:20 Single Ambig)
&rst
ixpk= 1108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 202, 203, 202, 203,
igr2=1843,1844,1845,1847,1848,1849,
&end
#
# 0 AMB 20-2:1109 122 LEU MDX 2.80 (# 1109:20 Single Ambig)
&rst
ixpk= 1109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2015,2016,1718,1719,1720,
igr2=1843,1844,1845,1847,1848,1849,
&end
#
# 122 LEU HB- 122 LEU MDX 2.80 (# 1110:20 Unique 2.26, 3.26 A)
&rst
ixpk= 1110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1838,1839,
igr2=1843,1844,1845,1847,1848,1849,
&end
#
# 0 AMB 20-2:1111 122 LEU MDX 2.80 (# 1111:20 Single Ambig)
&rst
ixpk= 1111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=2051,2052,2053,2055,2056,2057,1876,1877,1878,1880,
1881,1882,1876,1877,1878,1880,1881,1882,
igr2=1843,1844,1845,1847,1848,1849,
&end
#
# 123 THR HB 123 THR HA 4.50 (# 1112:20 Unique 3.00, 3.02 A)
&rst
ixpk= 1112, nxpk= 20, iat=1857,1855, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 THR HN 123 THR HB 4.50 (# 1113:20 Unique 2.79, 2.87 A)
&rst
ixpk= 1113, nxpk= 20, iat=1853,1857, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 LEU HN 123 THR HB 5.50 (# 1114:20 Unique 3.86, 4.05 A)
&rst
ixpk= 1114, nxpk= 20, iat=1867,1857, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 THR HA 123 THR HB 4.50 (# 1115:20 Unique 3.00, 3.02 A)
&rst
ixpk= 1115, nxpk= 20, iat=1855,1857, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 122 LEU HA 123 THR HB 5.50 (# 1116:20 Unique 4.52, 4.74 A)
&rst
ixpk= 1116, nxpk= 20, iat=1836,1857, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 THR MG2 123 THR HB 3.50 (# 1117:20 Unique 2.40, 2.66 A)
&rst
ixpk= 1117, nxpk= 20, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1859,1860,1861,
&end
#
# 0 AMB 20-2:1118 123 THR HB 4.50 (# 1118:20 Single Ambig)
&rst
ixpk= 1118, nxpk= 20, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1892,1893,1894,1896,1897,1898,1697,1698,1699,1701,
1702,1703,
&end
#
# 0 AMB 20-2:1119 123 THR HB 5.50 (# 1119:20 Single Ambig)
&rst
ixpk= 1119, nxpk= 20, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1841,1838,1839,1874,
&end
#
# 124 LEU HN 123 THR MG2 4.50 (# 1121:20 Unique 2.55, 3.38 A)
&rst
ixpk= 1121, nxpk= 20, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1859,1860,1861,
&end
#
# 110 LEU HN 123 THR MG2 5.50 (# 1122:20 Unique 3.17, 4.34 A)
&rst
ixpk= 1122, nxpk= 20, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1859,1860,1861,
&end
#
# 111 LEU HA 123 THR MG2 3.50 (# 1124:20 Unique 2.50, 3.90 A)
&rst
ixpk= 1124, nxpk= 20, iat=1690, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1859,1860,1861,
&end
#
# 123 THR HB 123 THR MG2 3.50 (# 1125:20 Unique 2.40, 2.66 A)
&rst
ixpk= 1125, nxpk= 20, iat=1857, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1859,1860,1861,
&end
#
# 0 AMB 20-2:1126 123 THR MG2 4.50 (# 1126:20 Single Ambig)
&rst
ixpk= 1126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1662,1663,1662,1663,
igr2=1859,1860,1861,
&end
#
# 125 VAL HN 124 LEU HA 3.50 (# 1129:20 Unique 2.12, 2.24 A)
&rst
ixpk= 1129, nxpk= 20, iat=1886,1869, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1130 124 LEU HA 5.50 (# 1130:20 Single Ambig)
&rst
ixpk= 1130, nxpk= 20, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2015,2016,2018,2019,
&end
#
# 0 AMB 20-2:1131 124 LEU HA 6.50 (# 1131:20 Single Ambig)
&rst
ixpk= 1131, nxpk= 20, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=2125,2126,2075,2076,2075,2076,
&end
#
# 124 LEU HG 124 LEU HA 4.50 (# 1132:20 Unique 2.41, 2.63 A)
&rst
ixpk= 1132, nxpk= 20, iat=1874,1869, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 LEU HB+ 124 LEU HA 3.50 (# 1133:20 Unique 2.39, 2.80 A)
&rst
ixpk= 1133, nxpk= 20, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1871,1872,
&end
#
# 124 LEU MDX 124 LEU HA 3.50 (# 1134:20 Unique 2.26, 4.10 A)
&rst
ixpk= 1134, nxpk= 20, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1876,1877,1878,1880,1881,1882,
&end
#
# 125 VAL MGY 124 LEU HA 4.50 (# 1135:20 Unique 3.26, 5.53 A)
&rst
ixpk= 1135, nxpk= 20, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1892,1893,1894,1896,1897,1898,
&end
#
# 124 LEU HN 124 LEU HB- 4.50 (# 1136:20 Unique 2.31, 3.09 A)
&rst
ixpk= 1136, nxpk= 20, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1871,1872,
&end
#
# 124 LEU HN 124 LEU HB+ 5.50 (# 1137:20 Unique 2.31, 3.09 A)
&rst
ixpk= 1137, nxpk= 20, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1871,1872,
&end
#
# 125 VAL HN 124 LEU HB+ 4.50 (# 1138:20 Unique 2.71, 3.57 A)
&rst
ixpk= 1138, nxpk= 20, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1871,1872,
&end
#
# 124 LEU HA 124 LEU HB- 4.50 (# 1139:20 Unique 2.39, 2.80 A)
&rst
ixpk= 1139, nxpk= 20, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1871,1872,
&end
#
# 124 LEU HA 124 LEU HB+ 4.50 (# 1140:20 Unique 2.39, 2.80 A)
&rst
ixpk= 1140, nxpk= 20, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1871,1872,
&end
#
# 0 AMB 20-2:1141 124 LEU HB- 5.50 (# 1141:20 Single Ambig)
&rst
ixpk= 1141, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1678,1679,1680,1682,1683,1684,1678,1679,1680,1682,
1683,1684,
igr2=1871,1872,
&end
#
# 125 VAL HN 125 VAL HA 3.50 (# 1142:20 Unique 2.97, 2.99 A)
&rst
ixpk= 1142, nxpk= 20, iat=1886,1888, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 LEU HN 125 VAL HA 4.50 (# 1143:20 Unique 3.33, 3.52 A)
&rst
ixpk= 1143, nxpk= 20, iat=1669,1888, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 109 SER HA 125 VAL HA 3.50 (# 1144:20 Unique 2.30, 2.37 A)
&rst
ixpk= 1144, nxpk= 20, iat=1660,1888, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 126 CYS HB- 125 VAL HA 4.50 (# 1145:20 Unique 4.24, 4.57 A)
&rst
ixpk= 1145, nxpk= 20, iat= -1,1888, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1906,1907,
&end
#
# 125 VAL HB 125 VAL HA 4.50 (# 1146:20 Unique 3.03, 3.04 A)
&rst
ixpk= 1146, nxpk= 20, iat=1890,1888, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 125 VAL MGY 125 VAL HA 3.50 (# 1147:20 Unique 2.43, 3.16 A)
&rst
ixpk= 1147, nxpk= 20, iat= -1,1888, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1892,1893,1894,1896,1897,1898,
&end
#
# 125 VAL HN 125 VAL HB 3.50 (# 1148:20 Unique 2.70, 2.92 A)
&rst
ixpk= 1148, nxpk= 20, iat=1886,1890, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 126 CYS HN 125 VAL MGY 4.50 (# 1149:20 Unique 2.67, 4.16 A)
&rst
ixpk= 1149, nxpk= 20, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 125 VAL HN 125 VAL MGY 3.50 (# 1150:20 Unique 2.69, 4.35 A)
&rst
ixpk= 1150, nxpk= 20, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 0 AMB 20-2:1151 125 VAL MGY 4.50 (# 1151:20 Single Ambig)
&rst
ixpk= 1151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1660,1904,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 132 LEU HA 125 VAL MGY 6.50 (# 1152:20 Unique 5.66, 7.23 A)
&rst
ixpk= 1152, nxpk= 20, iat=1982, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 0 AMB 20-2:1153 125 VAL MGY 4.50 (# 1153:20 Single Ambig)
&rst
ixpk= 1153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1662,1663,1662,1663,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 133 ASP HB+ 125 VAL MGY 4.50 (# 1154:20 Unique 3.25, 5.18 A)
&rst
ixpk= 1154, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2003,2004,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 125 VAL HB 125 VAL MGY 3.50 (# 1155:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1155, nxpk= 20, iat=1890, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 123 THR MG2 125 VAL MGY 2.80 (# 1156:20 Unique 2.39, 5.25 A)
&rst
ixpk= 1156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1859,1860,1861,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 127 SER HN 126 CYS HA 4.50 (# 1157:20 Unique 2.11, 2.14 A)
&rst
ixpk= 1157, nxpk= 20, iat=1913,1904, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 126 CYS HB- 126 CYS HA 4.50 (# 1158:20 Unique 2.37, 2.77 A)
&rst
ixpk= 1158, nxpk= 20, iat= -1,1904, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1906,1907,
&end
#
# 126 CYS HB+ 126 CYS HA 4.50 (# 1159:20 Unique 2.37, 2.77 A)
&rst
ixpk= 1159, nxpk= 20, iat= -1,1904, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1906,1907,
&end
#
# 132 LEU HG 126 CYS HA 5.50 (# 1160:20 Unique 2.13, 2.51 A)
&rst
ixpk= 1160, nxpk= 20, iat=1987,1904, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 LEU MDY 126 CYS HA 4.50 (# 1161:20 Unique 3.73, 4.52 A)
&rst
ixpk= 1161, nxpk= 20, iat= -1,1904, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1989,1990,1991,1993,1994,1995,
&end
#
# 126 CYS HN 126 CYS HB- 6.50 (# 1162:20 Unique 2.51, 2.77 A)
&rst
ixpk= 1162, nxpk= 20, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1906,1907,
&end
#
# 126 CYS HN 126 CYS HB+ 4.50 (# 1163:20 Unique 2.51, 2.77 A)
&rst
ixpk= 1163, nxpk= 20, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1906,1907,
&end
#
# 132 LEU MDY 126 CYS HB- 5.50 (# 1164:20 Unique 2.15, 4.14 A)
&rst
ixpk= 1164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1989,1990,1991,1993,1994,1995,
igr2=1906,1907,
&end
#
# 127 SER HN 127 SER HB+ 5.50 (# 1166:20 Unique 2.55, 3.20 A)
&rst
ixpk= 1166, nxpk= 20, iat=1913, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1917,1918,
&end
#
# 127 SER HA 127 SER HB+ 3.50 (# 1167:20 Unique 2.41, 2.51 A)
&rst
ixpk= 1167, nxpk= 20, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1917,1918,
&end
#
# 130 TRP HN 129 SER HA 4.50 (# 1170:20 Unique 2.17, 2.23 A)
&rst
ixpk= 1170, nxpk= 20, iat=1942,1933, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 130 TRP HN 0 AMB 20-1:1172 4.50 (# 1172:20 Single Ambig)
&rst
ixpk= 1172, nxpk= 20, iat=1942, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1935,1936,1935,1936,
&end
#
# 129 SER HN 0 AMB 20-1:1173 4.50 (# 1173:20 Single Ambig)
&rst
ixpk= 1173, nxpk= 20, iat=1931, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1935,1936,1935,1936,
&end
#
# 129 SER HA 0 AMB 20-1:1174 3.50 (# 1174:20 Single Ambig)
&rst
ixpk= 1174, nxpk= 20, iat=1933, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1935,1936,1935,1936,
&end
#
# 130 TRP HA 0 AMB 20-1:1175 4.50 (# 1175:20 Single Ambig)
&rst
ixpk= 1175, nxpk= 20, iat=1944, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1935,1936,1935,1936,
&end
#
# 0 AMB 20-2:1176 0 AMB 20-1:1176 4.50 (# 1176:20 Double Ambig)
&rst
ixpk= 1176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1946,1947,1946,1947,1946,1947,
igr2=1935,1936,1935,1936,1935,1936,
&end
#
# 130 TRP HN 130 TRP HA 5.50 (# 1177:20 Unique 2.76, 2.80 A)
&rst
ixpk= 1177, nxpk= 20, iat=1942,1944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1179 130 TRP HA 3.50 (# 1179:20 Single Ambig)
&rst
ixpk= 1179, nxpk= 20, iat= -1,1944, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1946,1947,1946,1947,
&end
#
# 131 PRO HB- 131 PRO HA 3.50 (# 1180:20 Unique 2.28, 2.54 A)
&rst
ixpk= 1180, nxpk= 20, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1973,1974,
&end
#
# 131 PRO HD+ 131 PRO HG- 3.50 (# 1181:20 Unique 2.30, 2.61 A)
&rst
ixpk= 1181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1967,1968,
igr2=1970,1971,
&end
#
# 131 PRO HD+ 131 PRO HG+ 3.50 (# 1182:20 Unique 2.30, 2.61 A)
&rst
ixpk= 1182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1967,1968,
igr2=1970,1971,
&end
#
# 131 PRO HB+ 131 PRO HG+ 4.50 (# 1183:20 Unique 2.31, 2.61 A)
&rst
ixpk= 1183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1973,1974,
igr2=1970,1971,
&end
#
# 131 PRO HB+ 131 PRO HG- 3.50 (# 1184:20 Unique 2.31, 2.61 A)
&rst
ixpk= 1184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1973,1974,
igr2=1970,1971,
&end
#
# 131 PRO HB+ 131 PRO HD+ 4.50 (# 1185:20 Unique 2.82, 3.72 A)
&rst
ixpk= 1185, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1973,1974,
igr2=1967,1968,
&end
#
# 131 PRO HB+ 131 PRO HD- 4.50 (# 1186:20 Unique 2.82, 3.72 A)
&rst
ixpk= 1186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1973,1974,
igr2=1967,1968,
&end
#
# 131 PRO HG- 131 PRO HD+ 3.50 (# 1187:20 Unique 2.30, 2.61 A)
&rst
ixpk= 1187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1970,1971,
igr2=1967,1968,
&end
#
# 131 PRO HG+ 131 PRO HD+ 3.50 (# 1188:20 Unique 2.30, 2.61 A)
&rst
ixpk= 1188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1970,1971,
igr2=1967,1968,
&end
#
# 131 PRO HG- 131 PRO HD- 3.50 (# 1189:20 Unique 2.30, 2.61 A)
&rst
ixpk= 1189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1970,1971,
igr2=1967,1968,
&end
#
# 131 PRO HG+ 131 PRO HD- 3.50 (# 1190:20 Unique 2.30, 2.61 A)
&rst
ixpk= 1190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1970,1971,
igr2=1967,1968,
&end
#
# 132 LEU MDY 132 LEU HB- 3.50 (# 1191:20 Unique 2.26, 3.30 A)
&rst
ixpk= 1191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1989,1990,1991,1993,1994,1995,
igr2=1984,1985,
&end
#
# 132 LEU MDX 132 LEU HB- 3.50 (# 1192:20 Unique 2.26, 3.30 A)
&rst
ixpk= 1192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1989,1990,1991,1993,1994,1995,
igr2=1984,1985,
&end
#
# 30 ARG HD+ 64 LEU HB+ 6.50 (# 1193:20 Unique 5.33, 7.51 A)
&rst
ixpk= 1193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 453, 454,
igr2= 980, 981,
&end
#
# 132 LEU HA 132 LEU HB- 4.50 (# 1194:20 Unique 2.16, 2.79 A)
&rst
ixpk= 1194, nxpk= 20, iat=1982, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1984,1985,
&end
#
# 132 LEU HN 132 LEU HB- 4.50 (# 1195:20 Unique 2.27, 3.42 A)
&rst
ixpk= 1195, nxpk= 20, iat=1980, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1984,1985,
&end
#
# 133 ASP HN 132 LEU HB- 4.50 (# 1196:20 Unique 2.28, 3.21 A)
&rst
ixpk= 1196, nxpk= 20, iat=1999, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1984,1985,
&end
#
# 133 ASP HN 133 ASP HB- 4.50 (# 1197:20 Unique 2.33, 2.56 A)
&rst
ixpk= 1197, nxpk= 20, iat=1999, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2003,2004,
&end
#
# 133 ASP HN 133 ASP HB+ 3.50 (# 1198:20 Unique 2.33, 2.56 A)
&rst
ixpk= 1198, nxpk= 20, iat=1999, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2003,2004,
&end
#
# 134 GLN HN 133 ASP HB- 4.50 (# 1199:20 Unique 2.53, 3.91 A)
&rst
ixpk= 1199, nxpk= 20, iat=2011, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2003,2004,
&end
#
# 134 GLN HN 133 ASP HB+ 4.50 (# 1200:20 Unique 2.53, 3.91 A)
&rst
ixpk= 1200, nxpk= 20, iat=2011, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2003,2004,
&end
#
# 125 VAL HN 133 ASP HB- 4.50 (# 1201:20 Unique 2.36, 3.46 A)
&rst
ixpk= 1201, nxpk= 20, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2003,2004,
&end
#
# 125 VAL HN 133 ASP HB+ 4.50 (# 1202:20 Unique 2.36, 3.46 A)
&rst
ixpk= 1202, nxpk= 20, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2003,2004,
&end
#
# 132 LEU HA 133 ASP HB- 5.50 (# 1205:20 Unique 4.22, 4.56 A)
&rst
ixpk= 1205, nxpk= 20, iat=1982, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2003,2004,
&end
#
# 132 LEU HA 133 ASP HB+ 5.50 (# 1206:20 Unique 4.22, 4.56 A)
&rst
ixpk= 1206, nxpk= 20, iat=1982, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2003,2004,
&end
#
# 125 VAL HB 133 ASP HB- 4.50 (# 1207:20 Unique 2.23, 2.96 A)
&rst
ixpk= 1207, nxpk= 20, iat=1890, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2003,2004,
&end
#
# 125 VAL HB 133 ASP HB+ 4.50 (# 1208:20 Unique 2.23, 2.96 A)
&rst
ixpk= 1208, nxpk= 20, iat=1890, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2003,2004,
&end
#
# 125 VAL MGY 133 ASP HB- 4.50 (# 1209:20 Unique 3.25, 5.18 A)
&rst
ixpk= 1209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1892,1893,1894,1896,1897,1898,
igr2=2003,2004,
&end
#
# 125 VAL MGY 133 ASP HB+ 4.50 (# 1210:20 Unique 3.25, 5.18 A)
&rst
ixpk= 1210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1892,1893,1894,1896,1897,1898,
igr2=2003,2004,
&end
#
# 125 VAL HN 134 GLN HA 4.50 (# 1211:20 Unique 3.68, 4.08 A)
&rst
ixpk= 1211, nxpk= 20, iat=1886,2013, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 GLN HN 134 GLN HA 4.50 (# 1212:20 Unique 2.89, 2.96 A)
&rst
ixpk= 1212, nxpk= 20, iat=2011,2013, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 GLN HG+ 134 GLN HA 3.50 (# 1213:20 Unique 2.46, 2.92 A)
&rst
ixpk= 1213, nxpk= 20, iat= -1,2013, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2018,2019,
&end
#
# 134 GLN HB+ 134 GLN HA 3.50 (# 1214:20 Unique 2.35, 2.74 A)
&rst
ixpk= 1214, nxpk= 20, iat= -1,2013, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2015,2016,
&end
#
# 124 LEU HG 134 GLN HA 4.50 (# 1215:20 Unique 2.20, 3.15 A)
&rst
ixpk= 1215, nxpk= 20, iat=1874,2013, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 LEU MDX 134 GLN HA 3.50 (# 1216:20 Unique 2.15, 4.62 A)
&rst
ixpk= 1216, nxpk= 20, iat= -1,2013, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1876,1877,1878,1880,1881,1882,
&end
#
# 122 LEU MDX 134 GLN HA 4.50 (# 1217:20 Unique 3.54, 5.57 A)
&rst
ixpk= 1217, nxpk= 20, iat= -1,2013, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1843,1844,1845,1847,1848,1849,
&end
#
# 134 GLN HN 134 GLN HB+ 4.50 (# 1218:20 Unique 2.39, 3.19 A)
&rst
ixpk= 1218, nxpk= 20, iat=2011, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2015,2016,
&end
#
# 134 GLN HN 134 GLN HB- 4.50 (# 1219:20 Unique 2.39, 3.19 A)
&rst
ixpk= 1219, nxpk= 20, iat=2011, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2015,2016,
&end
#
# 134 GLN HA 134 GLN HB- 4.50 (# 1220:20 Unique 2.35, 2.74 A)
&rst
ixpk= 1220, nxpk= 20, iat=2013, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2015,2016,
&end
#
# 134 GLN HA 134 GLN HB+ 4.50 (# 1221:20 Unique 2.35, 2.74 A)
&rst
ixpk= 1221, nxpk= 20, iat=2013, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2015,2016,
&end
#
# 124 LEU MDX 134 GLN HG- 3.50 (# 1222:20 Unique 2.30, 4.62 A)
&rst
ixpk= 1222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1876,1877,1878,1880,1881,1882,
igr2=2018,2019,
&end
#
# 124 LEU MDX 134 GLN HG+ 3.50 (# 1223:20 Unique 2.30, 4.62 A)
&rst
ixpk= 1223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1876,1877,1878,1880,1881,1882,
igr2=2018,2019,
&end
#
# 134 GLN HA 134 GLN HG- 4.50 (# 1224:20 Unique 2.46, 2.92 A)
&rst
ixpk= 1224, nxpk= 20, iat=2013, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2018,2019,
&end
#
# 134 GLN HA 134 GLN HG+ 4.50 (# 1225:20 Unique 2.46, 2.92 A)
&rst
ixpk= 1225, nxpk= 20, iat=2013, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2018,2019,
&end
#
# 134 GLN HE2+ 134 GLN HG- 4.50 (# 1226:20 Unique 2.35, 3.35 A)
&rst
ixpk= 1226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2023,2024,
igr2=2018,2019,
&end
#
# 134 GLN HE2+ 134 GLN HG+ 4.50 (# 1227:20 Unique 2.35, 3.35 A)
&rst
ixpk= 1227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2023,2024,
igr2=2018,2019,
&end
#
# 135 THR HN 134 GLN HG+ 5.50 (# 1228:20 Unique 2.90, 4.09 A)
&rst
ixpk= 1228, nxpk= 20, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2018,2019,
&end
#
# 135 THR HN 135 THR HB 3.50 (# 1229:20 Unique 2.61, 3.16 A)
&rst
ixpk= 1229, nxpk= 20, iat=2028,2032, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 134 GLN HA 135 THR HB 5.50 (# 1230:20 Unique 4.15, 4.43 A)
&rst
ixpk= 1230, nxpk= 20, iat=2013,2032, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 THR HA 135 THR HB 4.50 (# 1231:20 Unique 2.45, 2.52 A)
&rst
ixpk= 1231, nxpk= 20, iat=2030,2032, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 135 THR MG2 135 THR HB 3.50 (# 1232:20 Unique 2.38, 2.65 A)
&rst
ixpk= 1232, nxpk= 20, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2034,2035,2036,
&end
#
# 0 AMB 20-2:1233 135 THR HB 6.50 (# 1233:20 Single Ambig)
&rst
ixpk= 1233, nxpk= 20, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 8.99, r4= 9.49,
igr1=1876,1877,1878,1880,1881,1882,2049,
&end
#
# 0 AMB 20-2:1234 135 THR HB 5.50 (# 1234:20 Single Ambig)
&rst
ixpk= 1234, nxpk= 20, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1892,1893,1894,1896,1897,1898,1843,1844,1845,1847,
1848,1849,
&end
#
# 60 ARG HB+ 55 THR MG2 3.50 (# 1235:20 Unique 3.33, 4.71 A)
&rst
ixpk= 1235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 902, 903,
igr2= 831, 832, 833,
&end
#
# 136 LEU HN 136 LEU HB- 4.50 (# 1237:20 Unique 2.30, 2.98 A)
&rst
ixpk= 1237, nxpk= 20, iat=2042, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2046,2047,
&end
#
# 136 LEU HN 136 LEU HB+ 5.50 (# 1238:20 Unique 2.30, 2.98 A)
&rst
ixpk= 1238, nxpk= 20, iat=2042, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2046,2047,
&end
#
# 137 ALA HN 136 LEU HB+ 6.50 (# 1239:20 Unique 2.59, 3.68 A)
&rst
ixpk= 1239, nxpk= 20, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=2046,2047,
&end
#
# 137 ALA HN 136 LEU HB- 6.50 (# 1240:20 Unique 2.59, 3.68 A)
&rst
ixpk= 1240, nxpk= 20, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=2046,2047,
&end
#
# 136 LEU HA 136 LEU HB- 4.50 (# 1241:20 Unique 2.47, 2.81 A)
&rst
ixpk= 1241, nxpk= 20, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2046,2047,
&end
#
# 136 LEU HA 136 LEU HB+ 4.50 (# 1242:20 Unique 2.47, 2.81 A)
&rst
ixpk= 1242, nxpk= 20, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2046,2047,
&end
#
# 14 ARG HG- 136 LEU MDX 4.50 (# 1246:20 Unique 2.72, 6.18 A)
&rst
ixpk= 1246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 205, 206,
igr2=2051,2052,2053,2055,2056,2057,
&end
#
# 134 GLN HE2+ 136 LEU MDX 5.50 (# 1247:20 Unique 4.36, 7.91 A)
&rst
ixpk= 1247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2023,2024,
igr2=2051,2052,2053,2055,2056,2057,
&end
#
# 137 ALA HN 136 LEU MDX 5.50 (# 1248:20 Unique 3.36, 5.39 A)
&rst
ixpk= 1248, nxpk= 20, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2051,2052,2053,2055,2056,2057,
&end
#
# 136 LEU HN 136 LEU MDX 5.50 (# 1249:20 Unique 2.64, 4.30 A)
&rst
ixpk= 1249, nxpk= 20, iat=2042, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2051,2052,2053,2055,2056,2057,
&end
#
# 138 ARG HN 137 ALA HA 4.50 (# 1250:20 Unique 2.06, 2.69 A)
&rst
ixpk= 1250, nxpk= 20, iat=2071,2063, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 ALA HN 137 ALA HA 3.50 (# 1251:20 Unique 2.22, 2.31 A)
&rst
ixpk= 1251, nxpk= 20, iat=2061,2063, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 LEU HA 137 ALA HA 6.50 (# 1252:20 Unique 3.50, 4.07 A)
&rst
ixpk= 1252, nxpk= 20, iat=1836,2063, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 137 ALA MB 137 ALA HA 3.50 (# 1254:20 Unique 2.41, 2.65 A)
&rst
ixpk= 1254, nxpk= 20, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2065,2066,2067,
&end
#
# 102 ASP HN 101 ALA MB 4.50 (# 1256:20 Unique 2.95, 3.77 A)
&rst
ixpk= 1256, nxpk= 20, iat=1555, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1549,1550,1551,
&end
#
# 102 ASP HB- 101 ALA MB 5.50 (# 1257:20 Unique 3.83, 5.58 A)
&rst
ixpk= 1257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1559,1560,
igr2=1549,1550,1551,
&end
#
# 102 ASP HB+ 101 ALA MB 5.50 (# 1258:20 Unique 3.83, 5.58 A)
&rst
ixpk= 1258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1559,1560,
igr2=1549,1550,1551,
&end
#
# 0 AMB 20-2:1259 138 ARG HA 3.50 (# 1259:20 Single Ambig)
&rst
ixpk= 1259, nxpk= 20, iat= -1,2073, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2071,2095,2121,
&end
#
# 0 AMB 20-2:1261 138 ARG HA 4.50 (# 1261:20 Single Ambig)
&rst
ixpk= 1261, nxpk= 20, iat= -1,2073, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2081,2082,2081,2082,
&end
#
# 141 ARG HB- 138 ARG HA 3.50 (# 1262:20 Unique 2.39, 4.01 A)
&rst
ixpk= 1262, nxpk= 20, iat= -1,2073, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2125,2126,
&end
#
# 139 ASP HN 139 ASP HB- 4.50 (# 1263:20 Unique 2.27, 2.52 A)
&rst
ixpk= 1263, nxpk= 20, iat=2095, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2099,2100,
&end
#
# 141 ARG HN 140 THR HA 4.50 (# 1265:20 Unique 3.21, 3.39 A)
&rst
ixpk= 1265, nxpk= 20, iat=2121,2109, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 140 THR MG2 140 THR HA 3.50 (# 1266:20 Unique 2.47, 3.70 A)
&rst
ixpk= 1266, nxpk= 20, iat= -1,2109, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2113,2114,2115,
&end
#
# 140 THR HN 140 THR MG2 5.50 (# 1268:20 Unique 2.12, 3.48 A)
&rst
ixpk= 1268, nxpk= 20, iat=2107, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2113,2114,2115,
&end
#
# 140 THR HB 140 THR MG2 3.50 (# 1269:20 Unique 2.36, 2.66 A)
&rst
ixpk= 1269, nxpk= 20, iat=2111, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2113,2114,2115,
&end
#
# 135 THR HB 140 THR MG2 4.50 (# 1270:20 Unique 2.31, 3.68 A)
&rst
ixpk= 1270, nxpk= 20, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2113,2114,2115,
&end
#
# 141 ARG HA 141 ARG HB+ 3.50 (# 1271:20 Unique 2.34, 2.76 A)
&rst
ixpk= 1271, nxpk= 20, iat=2123, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2125,2126,
&end
#
# 141 ARG HA 141 ARG HB- 4.50 (# 1272:20 Unique 2.34, 2.76 A)
&rst
ixpk= 1272, nxpk= 20, iat=2123, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2125,2126,
&end
#
# 0 AMB 20-2:1274 0 AMB 20-1:1274 2.80 (# 1274:20 Double Ambig)
&rst
ixpk= 1274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2078,2079,2078,2079,2078,2079,
igr2=2081,2082,2081,2082,2081,2082,
&end
#
# 0 AMB 20-2:1275 0 AMB 20-1:1275 2.80 (# 1275:20 Double Ambig)
&rst
ixpk= 1275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=2125,2126,2075,2076,2075,2076,2075,2076,
igr2=2081,2082,2081,2082,2081,2082,2081,2082,
&end
#
# 117 THR HA 117 THR HB 3.50 (# 1276:20 Unique 2.44, 2.60 A)
&rst
ixpk= 1276, nxpk= 20, iat=1767,1769, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1277 117 THR HB 4.50 (# 1277:20 Single Ambig)
&rst
ixpk= 1277, nxpk= 20, iat= -1,1769, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1793,1794,1793,1794,
&end
#
# 117 THR MG2 117 THR HB 3.50 (# 1278:20 Unique 2.40, 2.66 A)
&rst
ixpk= 1278, nxpk= 20, iat= -1,1769, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1771,1772,1773,
&end
#
# 92 SER HN 92 SER HB+ 6.50 (# 1279:20 Unique 2.42, 2.76 A)
&rst
ixpk= 1279, nxpk= 20, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1406,1407,
&end
#
# 92 SER HN 92 SER HB- 5.50 (# 1280:20 Unique 2.42, 2.76 A)
&rst
ixpk= 1280, nxpk= 20, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1406,1407,
&end
#
# 0 AMB 20-2:1285 86 PRO HA 6.50 (# 1285:20 Single Ambig)
&rst
ixpk= 1285, nxpk= 20, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1298,1299,1298,1299,
&end
#
# 0 AMB 20-2:1286 86 PRO HA 5.50 (# 1286:20 Single Ambig)
&rst
ixpk= 1286, nxpk= 20, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1295,1296,1312,1313,
&end
#
# 76 TRP HB+ 76 TRP HA 4.50 (# 1287:20 Unique 2.38, 2.77 A)
&rst
ixpk= 1287, nxpk= 20, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1144,1145,
&end
#
# 0 AMB 20-2:1288 76 TRP HA 5.50 (# 1288:20 Single Ambig)
&rst
ixpk= 1288, nxpk= 20, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1168,1169,1168,1169, 686, 687,
&end
#
# 16 THR MG2 76 TRP HA 5.50 (# 1289:20 Unique 2.33, 5.60 A)
&rst
ixpk= 1289, nxpk= 20, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 243, 244, 245,
&end
#
# 93 ASN HB+ 93 ASN HA 4.50 (# 1309:20 Unique 2.38, 2.72 A)
&rst
ixpk= 1309, nxpk= 20, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1417,1418,
&end
#
# 94 GLN HG+ 94 GLN HA 4.50 (# 1315:20 Unique 3.70, 3.83 A)
&rst
ixpk= 1315, nxpk= 20, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1434,1435,
&end
#
# 76 TRP HZ2 0 AMB 20-1:1316 5.50 (# 1316:20 Single Ambig)
&rst
ixpk= 1316, nxpk= 20, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 281, 282, 281, 282,
&end
#
# 88 LYS HN 87 PHE HB- 4.50 (# 1317:20 Unique 2.60, 3.52 A)
&rst
ixpk= 1317, nxpk= 20, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1326,1327,
&end
#
# 88 LYS HN 87 PHE HB+ 4.50 (# 1318:20 Unique 2.60, 3.52 A)
&rst
ixpk= 1318, nxpk= 20, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1326,1327,
&end
#
# 87 PHE HD 87 PHE HB- 4.50 (# 1319:20 Unique 2.32, 3.08 A)
&rst
ixpk= 1319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1330,1338,
igr2=1326,1327,
&end
#
# 87 PHE HD 87 PHE HB+ 4.50 (# 1320:20 Unique 2.32, 3.08 A)
&rst
ixpk= 1320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1330,1338,
igr2=1326,1327,
&end
#
# 87 PHE HN 87 PHE HB- 5.50 (# 1321:20 Unique 2.38, 3.16 A)
&rst
ixpk= 1321, nxpk= 20, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1326,1327,
&end
#
# 87 PHE HN 87 PHE HB+ 5.50 (# 1322:20 Unique 2.38, 3.16 A)
&rst
ixpk= 1322, nxpk= 20, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1326,1327,
&end
#
# 87 PHE HA 87 PHE HB- 4.50 (# 1323:20 Unique 2.26, 2.67 A)
&rst
ixpk= 1323, nxpk= 20, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1326,1327,
&end
#
# 87 PHE HA 87 PHE HB+ 4.50 (# 1324:20 Unique 2.26, 2.67 A)
&rst
ixpk= 1324, nxpk= 20, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1326,1327,
&end
#
# 0 AMB 20-2:1325 0 AMB 20-1:1325 5.50 (# 1325:20 Double Ambig)
&rst
ixpk= 1325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 760, 761, 762, 171, 172,
igr2=1417,1418, 140, 141,
&end
#
# 0 AMB 20-2:1326 10 ASN HB- 4.50 (# 1326:20 Single Ambig)
&rst
ixpk= 1326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 130, 131, 132, 192, 193, 194,
igr2= 140, 141,
&end
#
# 0 AMB 20-2:1327 0 AMB 20-1:1327 4.50 (# 1327:20 Double Ambig)
&rst
ixpk= 1327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 130, 131, 132, 192, 193, 194,
igr2= 140, 141, 140, 141,
&end
#
# 121 LEU MDY 10 ASN HB+ 5.50 (# 1328:20 Unique 2.28, 5.14 A)
&rst
ixpk= 1328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1824,1825,1826,1828,1829,1830,
igr2= 140, 141,
&end
#
# 130 TRP HN 0 AMB 20-1:1330 4.50 (# 1330:20 Single Ambig)
&rst
ixpk= 1330, nxpk= 20, iat=1942, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1946,1947,1946,1947,
&end
#
# 130 TRP HE3 0 AMB 20-1:1331 4.50 (# 1331:20 Single Ambig)
&rst
ixpk= 1331, nxpk= 20, iat=1961, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1946,1947,1946,1947,
&end
#
# 76 TRP HA 76 TRP HB+ 4.50 (# 1332:20 Unique 2.38, 2.77 A)
&rst
ixpk= 1332, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1144,1145,
&end
#
# 130 TRP HA 0 AMB 20-1:1333 4.50 (# 1333:20 Single Ambig)
&rst
ixpk= 1333, nxpk= 20, iat=1944, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1946,1947,1946,1947,
&end
#
# 105 ILE QD1 0 AMB 20-1:1334 4.50 (# 1334:20 Single Ambig)
&rst
ixpk= 1334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1604,1605,1606,
igr2=1946,1947,1946,1947,
&end
#
# 28 ILE QD1 0 AMB 20-1:1335 4.50 (# 1335:20 Single Ambig)
&rst
ixpk= 1335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 425, 426, 427,
igr2=1946,1947,1946,1947,
&end
#
# 107 PRO HA 107 PRO HG+ 3.50 (# 1337:20 Unique 2.75, 3.56 A)
&rst
ixpk= 1337, nxpk= 20, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1628,1629,
&end
#
# 27 ALA HN 26 LEU HG 4.50 (# 1341:20 Unique 2.88, 3.07 A)
&rst
ixpk= 1341, nxpk= 20, iat= 402, 390, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 ILE HN 0 AMB 20-1:1344 5.50 (# 1344:20 Single Ambig)
&rst
ixpk= 1344, nxpk= 20, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1601,1602,1601,1602,
&end
#
# 30 ARG HN 30 ARG HG- 6.50 (# 1345:20 Unique 2.39, 3.75 A)
&rst
ixpk= 1345, nxpk= 20, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 450, 451,
&end
#
# 24 LEU HA 24 LEU MDY 4.50 (# 1349:20 Unique 2.19, 3.89 A)
&rst
ixpk= 1349, nxpk= 20, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 358, 359, 360, 362, 363, 364,
&end
#
# 0 AMB 20-2:1350 24 LEU MDY 4.50 (# 1350:20 Single Ambig)
&rst
ixpk= 1350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 595, 596, 597, 425, 426, 427,
igr2= 358, 359, 360, 362, 363, 364,
&end
#
# 130 TRP HZ3 24 LEU MDY 4.50 (# 1352:20 Unique 2.43, 4.50 A)
&rst
ixpk= 1352, nxpk= 20, iat=1959, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 358, 359, 360, 362, 363, 364,
&end
#
# 130 TRP HE3 24 LEU MDY 3.50 (# 1353:20 Unique 2.35, 4.16 A)
&rst
ixpk= 1353, nxpk= 20, iat=1961, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 358, 359, 360, 362, 363, 364,
&end
#
# 132 LEU HN 0 AMB 20-1:1355 4.50 (# 1355:20 Single Ambig)
&rst
ixpk= 1355, nxpk= 20, iat=1980, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1989,1990,1991,1993,1994,1995, 358, 359, 360, 362,
363, 364,
&end
#
# 95 PRO HB- 95 PRO HG+ 5.50 (# 1356:20 Unique 2.35, 2.64 A)
&rst
ixpk= 1356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1451,1452,
igr2=1448,1449,
&end
#
# 94 GLN HG- 95 PRO HG+ 4.50 (# 1357:20 Unique 4.73, 6.13 A)
&rst
ixpk= 1357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1434,1435,
igr2=1448,1449,
&end
#
# 95 PRO HD+ 95 PRO HG+ 4.50 (# 1358:20 Unique 2.29, 2.60 A)
&rst
ixpk= 1358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1445,1446,
igr2=1448,1449,
&end
#
# 111 LEU HN 84 LEU MDX 5.50 (# 1359:20 Unique 3.20, 6.28 A)
&rst
ixpk= 1359, nxpk= 20, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 85 GLN HN 84 LEU MDX 5.50 (# 1360:20 Unique 1.92, 4.04 A)
&rst
ixpk= 1360, nxpk= 20, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 108 PHE HD 84 LEU MDX 5.50 (# 1361:20 Unique 2.31, 5.23 A)
&rst
ixpk= 1361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1646,1654,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 42 PHE HD 84 LEU MDX 5.50 (# 1362:20 Unique 2.41, 5.05 A)
&rst
ixpk= 1362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 626, 634,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 84 LEU HA 84 LEU MDX 4.50 (# 1365:20 Unique 2.18, 3.80 A)
&rst
ixpk= 1365, nxpk= 20, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 0 AMB 20-2:1366 84 LEU MDX 5.50 (# 1366:20 Single Ambig)
&rst
ixpk= 1366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1368,1369,1479,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 110 LEU HB- 84 LEU MDX 4.50 (# 1367:20 Unique 2.32, 5.18 A)
&rst
ixpk= 1367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1673,1674,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 0 AMB 20-2:1370 84 LEU MDX 4.50 (# 1370:20 Single Ambig)
&rst
ixpk= 1370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1276,1277,1462,1463,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 82 ILE QG2 84 LEU MDX 4.50 (# 1373:20 Unique 2.96, 6.27 A)
&rst
ixpk= 1373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1242,1243,1244,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 17 ALA HN 112 MET ME 5.50 (# 1376:20 Unique 2.55, 3.98 A)
&rst
ixpk= 1376, nxpk= 20, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1718,1719,1720,
&end
#
# 0 AMB 20-2:1378 112 MET ME 6.50 (# 1378:20 Single Ambig)
&rst
ixpk= 1378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1709,1690,
igr2=1718,1719,1720,
&end
#
# 16 THR HB 112 MET ME 4.50 (# 1379:20 Unique 2.30, 3.47 A)
&rst
ixpk= 1379, nxpk= 20, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1718,1719,1720,
&end
#
# 17 ALA HA 112 MET ME 5.50 (# 1381:20 Unique 2.37, 3.78 A)
&rst
ixpk= 1381, nxpk= 20, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1718,1719,1720,
&end
#
# 80 LEU HB+ 112 MET ME 6.50 (# 1383:20 Unique 4.64, 6.38 A)
&rst
ixpk= 1383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1210,1211,
igr2=1718,1719,1720,
&end
#
# 0 AMB 20-2:1384 112 MET ME 3.50 (# 1384:20 Single Ambig)
&rst
ixpk= 1384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1215,1216,1217,1219,1220,1221,1876,1877,1878,1880,
1881,1882,
igr2=1718,1719,1720,
&end
#
# 0 AMB 20-2:1385 112 MET ME 3.50 (# 1385:20 Single Ambig)
&rst
ixpk= 1385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1215,1216,1217,1219,1220,1221,1843,1844,1845,1847,
1848,1849,
igr2=1718,1719,1720,
&end
#
# 110 LEU MDX 112 MET ME 4.50 (# 1386:20 Unique 2.69, 5.55 A)
&rst
ixpk= 1386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1678,1679,1680,1682,1683,1684,
igr2=1718,1719,1720,
&end
#
# 82 ILE QD1 112 MET ME 4.50 (# 1387:20 Unique 2.29, 4.85 A)
&rst
ixpk= 1387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1249,1250,1251,
igr2=1718,1719,1720,
&end
#
# 114 ASN HD2+ 9 ALA MB 4.50 (# 1388:20 Unique 2.14, 3.83 A)
&rst
ixpk= 1388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1743,1744,
igr2= 130, 131, 132,
&end
#
# 28 ILE HN 28 ILE QD1 4.50 (# 1389:20 Unique 2.70, 4.21 A)
&rst
ixpk= 1389, nxpk= 20, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 425, 426, 427,
&end
#
# 130 TRP HE3 28 ILE QD1 4.50 (# 1390:20 Unique 2.40, 3.07 A)
&rst
ixpk= 1390, nxpk= 20, iat=1961, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 425, 426, 427,
&end
#
# 28 ILE HA 28 ILE QD1 4.50 (# 1391:20 Unique 3.04, 4.62 A)
&rst
ixpk= 1391, nxpk= 20, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 425, 426, 427,
&end
#
# 0 AMB 20-2:1392 28 ILE QD1 4.50 (# 1392:20 Single Ambig)
&rst
ixpk= 1392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1946,1947,1946,1947,
igr2= 425, 426, 427,
&end
#
# 25 GLU HA 28 ILE QD1 4.50 (# 1393:20 Unique 2.28, 3.54 A)
&rst
ixpk= 1393, nxpk= 20, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 425, 426, 427,
&end
#
# 28 ILE HG1+ 28 ILE QD1 3.50 (# 1394:20 Unique 2.30, 2.63 A)
&rst
ixpk= 1394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 422, 423,
igr2= 425, 426, 427,
&end
#
# 0 AMB 20-2:1395 28 ILE QD1 3.50 (# 1395:20 Single Ambig)
&rst
ixpk= 1395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 416, 356,
igr2= 425, 426, 427,
&end
#
# 24 LEU MDX 28 ILE QD1 4.50 (# 1396:20 Unique 3.59, 5.64 A)
&rst
ixpk= 1396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 358, 359, 360, 362, 363, 364,
igr2= 425, 426, 427,
&end
#
# 122 LEU HA 135 THR HB 6.50 (# 1397:20 Unique 6.15, 6.51 A)
&rst
ixpk= 1397, nxpk= 20, iat=1836,2032, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 135 THR MG2 123 THR HB 4.50 (# 1398:20 Unique 2.07, 2.67 A)
&rst
ixpk= 1398, nxpk= 20, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2034,2035,2036,
&end
#
# 33 LEU HB- 30 ARG HA 3.50 (# 1400:20 Unique 2.34, 3.43 A)
&rst
ixpk= 1400, nxpk= 20, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 495, 496,
&end
#
# 25 GLU HN 24 LEU HA 4.50 (# 1401:20 Unique 3.57, 3.58 A)
&rst
ixpk= 1401, nxpk= 20, iat= 368, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1402 24 LEU HA 5.50 (# 1402:20 Single Ambig)
&rst
ixpk= 1402, nxpk= 20, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 592, 593,1597,1598,1599,
&end
#
# 99 ILE QD1 24 LEU HA 4.50 (# 1404:20 Unique 3.78, 5.04 A)
&rst
ixpk= 1404, nxpk= 20, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1520,1521,1522,
&end
#
# 13 ALA HN 10 ASN HA 4.50 (# 1410:20 Unique 3.23, 3.45 A)
&rst
ixpk= 1410, nxpk= 20, iat= 188, 138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 GLU HN 65 GLN HA 4.50 (# 1412:20 Unique 2.30, 3.33 A)
&rst
ixpk= 1412, nxpk= 20, iat=1012, 997, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 VAL MGY 27 ALA HA 3.50 (# 1413:20 Unique 2.20, 3.90 A)
&rst
ixpk= 1413, nxpk= 20, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 565, 566, 567, 569, 570, 571,
&end
#
# 50 MET HG- 50 MET HA 4.50 (# 1414:20 Unique 2.39, 2.76 A)
&rst
ixpk= 1414, nxpk= 20, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 756, 757,
&end
#
# 84 LEU HN 84 LEU HB+ 4.50 (# 1415:20 Unique 2.23, 2.92 A)
&rst
ixpk= 1415, nxpk= 20, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1276,1277,
&end
#
# 84 LEU MDY 84 LEU HB+ 4.50 (# 1416:20 Unique 2.26, 3.43 A)
&rst
ixpk= 1416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1281,1282,1283,1285,1286,1287,
igr2=1276,1277,
&end
#
# 84 LEU MDX 84 LEU HB+ 4.50 (# 1417:20 Unique 2.26, 3.43 A)
&rst
ixpk= 1417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1281,1282,1283,1285,1286,1287,
igr2=1276,1277,
&end
#
# 112 MET HN 111 LEU HB+ 5.50 (# 1419:20 Unique 3.67, 4.06 A)
&rst
ixpk= 1419, nxpk= 20, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1692,1693,
&end
#
# 14 ARG HN 0 AMB 20-1:1420 5.50 (# 1420:20 Single Ambig)
&rst
ixpk= 1420, nxpk= 20, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 208, 209, 208, 209,
&end
#
# 132 LEU MDX 132 LEU HB+ 3.50 (# 1425:20 Unique 2.26, 3.30 A)
&rst
ixpk= 1425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1989,1990,1991,1993,1994,1995,
igr2=1984,1985,
&end
#
# 12 ARG HN 12 ARG HD+ 5.50 (# 1428:20 Unique 3.14, 4.41 A)
&rst
ixpk= 1428, nxpk= 20, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 174, 175,
&end
#
# 0 AMB 20-2:1429 0 AMB 20-1:1429 4.50 (# 1429:20 Double Ambig)
&rst
ixpk= 1429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1183,1184,1198,1199,
igr2= 174, 175, 174, 175,
&end
#
# 80 LEU HG 12 ARG HD+ 5.50 (# 1430:20 Unique 4.60, 5.99 A)
&rst
ixpk= 1430, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 174, 175,
&end
#
# 80 LEU HG 12 ARG HD- 5.50 (# 1431:20 Unique 4.60, 5.99 A)
&rst
ixpk= 1431, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 174, 175,
&end
#
# 10 ASN HN 10 ASN HB- 3.50 (# 1432:20 Unique 2.31, 2.54 A)
&rst
ixpk= 1432, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 140, 141,
&end
#
# 10 ASN HN 10 ASN HB+ 3.50 (# 1433:20 Unique 2.31, 2.54 A)
&rst
ixpk= 1433, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 140, 141,
&end
#
# 9 ALA MB 79 GLU HG+ 5.50 (# 1434:20 Unique 2.23, 4.31 A)
&rst
ixpk= 1434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 130, 131, 132,
igr2=1198,1199,
&end
#
# 115 ALA MB 79 GLU HG- 6.50 (# 1435:20 Unique 2.62, 5.97 A)
&rst
ixpk= 1435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1752,1753,1754,
igr2=1198,1199,
&end
#
# 0 AMB 20-2:1436 0 AMB 20-1:1436 4.50 (# 1436:20 Double Ambig)
&rst
ixpk= 1436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 116, 117, 118, 120, 121, 122,1213,
igr2=1198,1199,1198,1199,
&end
#
# 0 AMB 20-2:1437 79 GLU HG- 4.50 (# 1437:20 Single Ambig)
&rst
ixpk= 1437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 116, 117, 118, 120, 121, 122,1213,
igr2=1198,1199,
&end
#
# 104 GLN HE2- 104 GLN HG- 5.50 (# 1438:20 Unique 2.12, 3.36 A)
&rst
ixpk= 1438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1586,1587,
igr2=1581,1582,
&end
#
# 82 ILE QD1 0 AMB 20-1:1439 5.50 (# 1439:20 Single Ambig)
&rst
ixpk= 1439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1249,1250,1251,
igr2=1711,1712,1711,1712,
&end
#
# 82 ILE QD1 76 TRP HB+ 5.50 (# 1440:20 Unique 2.57, 6.17 A)
&rst
ixpk= 1440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1249,1250,1251,
igr2=1144,1145,
&end
#
# 105 ILE QG2 0 AMB 20-1:1444 4.50 (# 1444:20 Single Ambig)
&rst
ixpk= 1444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1597,1598,1599,
igr2=1601,1602,1601,1602,
&end
#
# 99 ILE QG2 0 AMB 20-1:1445 3.50 (# 1445:20 Single Ambig)
&rst
ixpk= 1445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1513,1514,1515,
igr2=1601,1602,1601,1602,
&end
#
# 111 LEU HN 110 LEU MDY 4.50 (# 1447:20 Unique 2.17, 4.92 A)
&rst
ixpk= 1447, nxpk= 20, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 0 AMB 20-2:1449 110 LEU MDY 5.50 (# 1449:20 Single Ambig)
&rst
ixpk= 1449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1157,1268,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 0 AMB 20-2:1450 110 LEU MDY 4.50 (# 1450:20 Single Ambig)
&rst
ixpk= 1450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1=1697,1698,1699,1701,1702,1703,1215,1216,1217,1219,
1220,1221,1892,1893,1894,1896,1897,1898,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 133 ASP HN 132 LEU MDX 5.50 (# 1451:20 Unique 3.36, 5.05 A)
&rst
ixpk= 1451, nxpk= 20, iat=1999, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 108 PHE HA 132 LEU MDX 5.50 (# 1455:20 Unique 6.28, 7.96 A)
&rst
ixpk= 1455, nxpk= 20, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 132 LEU HA 132 LEU MDX 4.50 (# 1456:20 Unique 2.87, 4.16 A)
&rst
ixpk= 1456, nxpk= 20, iat=1982, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 0 AMB 20-2:1457 0 AMB 20-1:1457 4.50 (# 1457:20 Double Ambig)
&rst
ixpk= 1457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1946,1947,1946,1947,1946,1947,
igr2= 358, 359, 360, 362, 363, 364,1989,1990,1991,1993,
1994,1995,
&end
#
# 122 LEU HN 111 LEU MDY 6.50 (# 1458:20 Unique 3.84, 6.02 A)
&rst
ixpk= 1458, nxpk= 20, iat=1834, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 123 THR HA 111 LEU MDY 6.50 (# 1459:20 Unique 3.72, 5.38 A)
&rst
ixpk= 1459, nxpk= 20, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 13 ALA HA 122 LEU MDX 5.50 (# 1460:20 Unique 3.80, 5.94 A)
&rst
ixpk= 1460, nxpk= 20, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1843,1844,1845,1847,1848,1849,
&end
#
# 0 AMB 20-2:1461 111 LEU MDY 6.50 (# 1461:20 Single Ambig)
&rst
ixpk= 1461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.04, r4=11.54,
igr1=1676,1752,1753,1754,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 95 PRO HB- 95 PRO HG- 5.50 (# 1462:20 Unique 2.35, 2.64 A)
&rst
ixpk= 1462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1451,1452,
igr2=1448,1449,
&end
#
# 95 PRO HB+ 95 PRO HG- 5.50 (# 1463:20 Unique 2.35, 2.64 A)
&rst
ixpk= 1463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1451,1452,
igr2=1448,1449,
&end
#
# 95 PRO HD+ 95 PRO HG- 5.50 (# 1464:20 Unique 2.29, 2.60 A)
&rst
ixpk= 1464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1445,1446,
igr2=1448,1449,
&end
#
# 108 PHE HE 110 LEU MDX 5.50 (# 1465:20 Unique 2.51, 6.15 A)
&rst
ixpk= 1465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1648,1652,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 0 AMB 20-2:1468 84 LEU MDY 5.50 (# 1468:20 Single Ambig)
&rst
ixpk= 1468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1298,1299,1298,1299,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 0 AMB 20-2:1469 84 LEU MDY 4.50 (# 1469:20 Single Ambig)
&rst
ixpk= 1469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1368,1369,1479,1295,1296,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 84 LEU HB- 84 LEU MDY 3.50 (# 1470:20 Unique 2.26, 3.43 A)
&rst
ixpk= 1470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1276,1277,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 84 LEU HG 84 LEU MDY 3.50 (# 1471:20 Unique 2.34, 2.65 A)
&rst
ixpk= 1471, nxpk= 20, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 97 VAL MGY 84 LEU MDY 4.50 (# 1472:20 Unique 2.46, 5.91 A)
&rst
ixpk= 1472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1481,1482,1483,1485,1486,1487,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 82 ILE QG2 84 LEU MDY 4.50 (# 1473:20 Unique 2.96, 6.27 A)
&rst
ixpk= 1473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1242,1243,1244,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 124 LEU HN 124 LEU MDX 6.50 (# 1474:20 Unique 2.91, 4.52 A)
&rst
ixpk= 1474, nxpk= 20, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2=1876,1877,1878,1880,1881,1882,
&end
#
# 0 AMB 20-2:1476 132 LEU MDY 5.50 (# 1476:20 Single Ambig)
&rst
ixpk= 1476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 305, 309,1650,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 84 LEU MDY 132 LEU MDY 5.50 (# 1477:20 Unique 5.81, 8.99 A)
&rst
ixpk= 1477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1281,1282,1283,1285,1286,1287,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 12 ARG HD- 80 LEU MDX 5.50 (# 1478:20 Unique 3.70, 7.02 A)
&rst
ixpk= 1478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 174, 175,
igr2=1215,1216,1217,1219,1220,1221,
&end
#
# 77 ASP HB+ 80 LEU MDX 4.50 (# 1479:20 Unique 2.16, 4.58 A)
&rst
ixpk= 1479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1168,1169,
igr2=1215,1216,1217,1219,1220,1221,
&end
#
# 79 GLU HB- 80 LEU MDX 4.50 (# 1480:20 Unique 2.67, 6.26 A)
&rst
ixpk= 1480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1195,1196,
igr2=1215,1216,1217,1219,1220,1221,
&end
#
# 0 AMB 20-2:1481 21 THR MG2 5.50 (# 1481:20 Single Ambig)
&rst
ixpk= 1481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 349, 261,
igr2= 321, 322, 323,
&end
#
# 132 LEU HN 21 THR MG2 5.50 (# 1482:20 Unique 3.49, 5.85 A)
&rst
ixpk= 1482, nxpk= 20, iat=1980, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 321, 322, 323,
&end
#
# 95 PRO HG+ 98 VAL MGY 5.50 (# 1483:20 Unique 2.46, 4.85 A)
&rst
ixpk= 1483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1448,1449,
igr2=1497,1498,1499,1501,1502,1503,
&end
#
# 130 TRP HA 105 ILE QD1 4.50 (# 1485:20 Unique 2.69, 4.21 A)
&rst
ixpk= 1485, nxpk= 20, iat=1944, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1604,1605,1606,
&end
#
# 0 AMB 20-2:1486 105 ILE QD1 6.50 (# 1486:20 Single Ambig)
&rst
ixpk= 1486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1=1935,1936,1935,1936,
igr2=1604,1605,1606,
&end
#
# 5 ARG HA 0 AMB 20-1:1487 4.50 (# 1487:20 Single Ambig)
&rst
ixpk= 1487, nxpk= 20, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 69, 70, 69, 70,
&end
#
# 0 AMB 20-2:1489 0 AMB 20-1:1489 2.80 (# 1489:20 Double Ambig)
&rst
ixpk= 1489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 87, 88, 87, 88,
igr2= 90, 91, 90, 91,
&end
#
# 10 ASN HB- 0 AMB 20-1:1490 6.50 (# 1490:20 Single Ambig)
&rst
ixpk= 1490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
igr1= 140, 141,
igr2= 90, 91, 90, 91,
&end
#
# 10 ASN HN 0 AMB 20-1:1491 6.50 (# 1491:20 Single Ambig)
&rst
ixpk= 1491, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr2= 90, 91, 90, 91,
&end
#
# 6 GLU HN 0 AMB 20-1:1492 4.50 (# 1492:20 Single Ambig)
&rst
ixpk= 1492, nxpk= 20, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 90, 91, 90, 91,
&end
#
# 7 ASP HA 7 ASP HB- 3.50 (# 1493:20 Unique 2.33, 2.69 A)
&rst
ixpk= 1493, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 102, 103,
&end
#
# 8 VAL HN 7 ASP HB- 4.50 (# 1494:20 Unique 2.02, 4.13 A)
&rst
ixpk= 1494, nxpk= 20, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 102, 103,
&end
#
# 8 VAL HA 7 ASP HB- 5.50 (# 1496:20 Unique 4.41, 5.69 A)
&rst
ixpk= 1496, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 102, 103,
&end
#
# 11 THR MG2 8 VAL HA 4.50 (# 1498:20 Unique 4.34, 5.47 A)
&rst
ixpk= 1498, nxpk= 20, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 156, 157, 158,
&end
#
# 8 VAL MGX 8 VAL HB 2.80 (# 1500:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1500, nxpk= 20, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 9 ALA MB 8 VAL HB 4.50 (# 1501:20 Unique 4.23, 5.38 A)
&rst
ixpk= 1501, nxpk= 20, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 130, 131, 132,
&end
#
# 0 AMB 20-2:1502 113 ALA MB 4.50 (# 1502:20 Single Ambig)
&rst
ixpk= 1502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1229,1230,1229,1230,
igr2=1728,1729,1730,
&end
#
# 113 ALA HA 113 ALA MB 3.50 (# 1503:20 Unique 2.43, 2.65 A)
&rst
ixpk= 1503, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1728,1729,1730,
&end
#
# 114 ASN HN 113 ALA MB 3.50 (# 1504:20 Unique 2.74, 3.66 A)
&rst
ixpk= 1504, nxpk= 20, iat=1734, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1728,1729,1730,
&end
#
# 8 VAL HA 8 VAL MGX 3.50 (# 1505:20 Unique 2.37, 3.15 A)
&rst
ixpk= 1505, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 8 VAL HB 8 VAL MGX 3.50 (# 1506:20 Unique 2.37, 2.66 A)
&rst
ixpk= 1506, nxpk= 20, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 0 AMB 20-2:1507 8 VAL MGX 4.50 (# 1507:20 Single Ambig)
&rst
ixpk= 1507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 69, 70, 69, 70,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 0 AMB 20-2:1509 8 VAL MGY 5.50 (# 1509:20 Single Ambig)
&rst
ixpk= 1509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 59,1743,1744,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 12 ARG HN 9 ALA HA 4.50 (# 1510:20 Unique 3.30, 3.54 A)
&rst
ixpk= 1510, nxpk= 20, iat= 164, 128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1511 9 ALA HA 5.50 (# 1511:20 Single Ambig)
&rst
ixpk= 1511, nxpk= 20, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 188,1748,
&end
#
# 121 LEU HG 9 ALA MB 3.50 (# 1512:20 Unique 3.06, 4.14 A)
&rst
ixpk= 1512, nxpk= 20, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 130, 131, 132,
&end
#
# 122 LEU HB- 13 ALA MB 2.80 (# 1513:20 Unique 2.34, 3.82 A)
&rst
ixpk= 1513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1838,1839,
igr2= 192, 193, 194,
&end
#
# 80 LEU HG 0 AMB 20-1:1514 4.50 (# 1514:20 Single Ambig)
&rst
ixpk= 1514, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 192, 193, 194, 130, 131, 132,
&end
#
# 13 ALA HA 13 ALA MB 3.50 (# 1515:20 Unique 2.40, 2.65 A)
&rst
ixpk= 1515, nxpk= 20, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 192, 193, 194,
&end
#
# 13 ALA HN 13 ALA MB 3.50 (# 1516:20 Unique 2.45, 2.89 A)
&rst
ixpk= 1516, nxpk= 20, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 192, 193, 194,
&end
#
# 93 ASN HA 93 ASN HB+ 4.50 (# 1517:20 Unique 2.38, 2.72 A)
&rst
ixpk= 1517, nxpk= 20, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1417,1418,
&end
#
# 121 LEU HG 10 ASN HB+ 6.50 (# 1518:20 Unique 3.11, 4.30 A)
&rst
ixpk= 1518, nxpk= 20, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 140, 141,
&end
#
# 121 LEU MDY 10 ASN HB- 5.50 (# 1519:20 Unique 2.28, 5.14 A)
&rst
ixpk= 1519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1824,1825,1826,1828,1829,1830,
igr2= 140, 141,
&end
#
# 14 ARG HG+ 11 THR HA 4.50 (# 1520:20 Unique 2.43, 4.58 A)
&rst
ixpk= 1520, nxpk= 20, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 205, 206,
&end
#
# 0 AMB 20-2:1521 11 THR MG2 4.50 (# 1521:20 Single Ambig)
&rst
ixpk= 1521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 202, 203, 202, 203,
igr2= 156, 157, 158,
&end
#
# 79 GLU HN 79 GLU HA 3.50 (# 1524:20 Unique 2.82, 2.95 A)
&rst
ixpk= 1524, nxpk= 20, iat=1191,1193, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 GLU HG+ 12 ARG HA 3.50 (# 1525:20 Unique 3.41, 4.16 A)
&rst
ixpk= 1525, nxpk= 20, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 229, 230,
&end
#
# 132 LEU MDY 126 CYS HB+ 3.50 (# 1526:20 Unique 2.15, 4.14 A)
&rst
ixpk= 1526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1989,1990,1991,1993,1994,1995,
igr2=1906,1907,
&end
#
# 79 GLU HN 79 GLU HB+ 4.50 (# 1527:20 Unique 2.33, 3.21 A)
&rst
ixpk= 1527, nxpk= 20, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1195,1196,
&end
#
# 12 ARG HN 12 ARG HB+ 5.50 (# 1528:20 Unique 2.21, 3.01 A)
&rst
ixpk= 1528, nxpk= 20, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 168, 169,
&end
#
# 16 THR HN 0 AMB 20-1:1529 5.50 (# 1529:20 Single Ambig)
&rst
ixpk= 1529, nxpk= 20, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 278, 279, 205, 206,
&end
#
# 13 ALA HN 14 ARG HG+ 4.50 (# 1530:20 Unique 4.28, 5.42 A)
&rst
ixpk= 1530, nxpk= 20, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 205, 206,
&end
#
# 88 LYS HA 88 LYS HD+ 4.50 (# 1531:20 Unique 3.98, 4.72 A)
&rst
ixpk= 1531, nxpk= 20, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1352,1353,
&end
#
# 88 LYS HA 88 LYS HD- 4.50 (# 1532:20 Unique 3.98, 4.72 A)
&rst
ixpk= 1532, nxpk= 20, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1352,1353,
&end
#
# 0 AMB 20-2:1533 119 GLU HB- 3.50 (# 1533:20 Single Ambig)
&rst
ixpk= 1533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1802,1803,1802,1803,
igr2=1790,1791,
&end
#
# 0 AMB 20-2:1534 0 AMB 20-1:1534 4.50 (# 1534:20 Double Ambig)
&rst
ixpk= 1534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1090,1091,1802,1803,1802,1803,
igr2= 999,1000,1790,1791,1790,1791,
&end
#
# 37 PRO HD- 36 GLN HB- 4.50 (# 1535:20 Unique 2.29, 4.28 A)
&rst
ixpk= 1535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 546, 547,
igr2= 532, 533,
&end
#
# 0 AMB 20-2:1536 0 AMB 20-1:1536 2.80 (# 1536:20 Double Ambig)
&rst
ixpk= 1536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 392, 393, 394, 396, 397, 398,1215,1216,1217,1219,
1220,1221,
igr2= 390, 171, 172,
&end
#
# 33 LEU MDX 33 LEU HG 2.80 (# 1537:20 Unique 2.44, 2.66 A)
&rst
ixpk= 1537, nxpk= 20, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 500, 501, 502, 504, 505, 506,
&end
#
# 26 LEU HN 26 LEU HG 4.50 (# 1539:20 Unique 4.10, 4.24 A)
&rst
ixpk= 1539, nxpk= 20, iat= 383, 390, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1540 33 LEU HG 4.50 (# 1540:20 Single Ambig)
&rst
ixpk= 1540, nxpk= 20, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 491, 510,
&end
#
# 26 LEU HA 26 LEU HG 3.50 (# 1542:20 Unique 3.33, 3.42 A)
&rst
ixpk= 1542, nxpk= 20, iat= 385, 390, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 ARG HA 49 ILE HG1- 3.50 (# 1544:20 Unique 3.51, 4.39 A)
&rst
ixpk= 1544, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 740, 741,
&end
#
# 0 AMB 20-2:1545 0 AMB 20-1:1545 3.50 (# 1545:20 Double Ambig)
&rst
ixpk= 1545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 171, 172,1195,1196,
igr2= 174, 175, 174, 175,
&end
#
# 0 AMB 20-2:1546 12 ARG HD- 3.50 (# 1546:20 Single Ambig)
&rst
ixpk= 1546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 171, 172,1195,1196,
igr2= 174, 175,
&end
#
# 17 ALA HN 13 ALA MB 5.50 (# 1547:20 Unique 4.85, 5.55 A)
&rst
ixpk= 1547, nxpk= 20, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 192, 193, 194,
&end
#
# 31 ALA HN 30 ARG HB+ 4.50 (# 1548:20 Unique 2.76, 3.49 A)
&rst
ixpk= 1548, nxpk= 20, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 447, 448,
&end
#
# 0 AMB 20-2:1551 0 AMB 20-1:1551 3.50 (# 1551:20 Double Ambig)
&rst
ixpk= 1551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 447, 448, 202, 203, 202, 203, 202, 203,
igr2= 453, 454, 208, 209, 208, 209, 208, 209,
&end
#
# 0 AMB 20-2:1552 15 GLU HA 4.50 (# 1552:20 Single Ambig)
&rst
ixpk= 1552, nxpk= 20, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 202, 203, 202, 203,
&end
#
# 12 ARG HA 15 GLU HB- 3.50 (# 1553:20 Unique 2.18, 2.98 A)
&rst
ixpk= 1553, nxpk= 20, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 226, 227,
&end
#
# 0 AMB 20-2:1554 0 AMB 20-1:1554 2.80 (# 1554:20 Double Ambig)
&rst
ixpk= 1554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 166,1178,
igr2= 226, 227,1180,1181,1180,1181,
&end
#
# 78 GLU HN 0 AMB 20-1:1555 3.50 (# 1555:20 Single Ambig)
&rst
ixpk= 1555, nxpk= 20, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1180,1181,1180,1181,
&end
#
# 79 GLU HN 0 AMB 20-1:1556 4.50 (# 1556:20 Single Ambig)
&rst
ixpk= 1556, nxpk= 20, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1180,1181,1180,1181,
&end
#
# 16 THR MG2 16 THR HA 3.50 (# 1557:20 Unique 2.56, 3.25 A)
&rst
ixpk= 1557, nxpk= 20, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 243, 244, 245,
&end
#
# 15 GLU HB- 16 THR HA 4.50 (# 1558:20 Unique 4.07, 4.65 A)
&rst
ixpk= 1558, nxpk= 20, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 226, 227,
&end
#
# 19 ARG HG+ 16 THR HA 4.50 (# 1559:20 Unique 2.92, 4.44 A)
&rst
ixpk= 1559, nxpk= 20, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 278, 279,
&end
#
# 19 ARG HN 16 THR HA 4.50 (# 1560:20 Unique 3.22, 3.48 A)
&rst
ixpk= 1560, nxpk= 20, iat= 271, 239, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 ALA HN 16 THR HA 5.50 (# 1561:20 Unique 3.55, 3.57 A)
&rst
ixpk= 1561, nxpk= 20, iat= 251, 239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1562 21 THR HB 5.50 (# 1562:20 Single Ambig)
&rst
ixpk= 1562, nxpk= 20, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 265, 266, 267,1970,1971,
&end
#
# 16 THR HN 16 THR MG2 4.50 (# 1563:20 Unique 4.35, 4.54 A)
&rst
ixpk= 1563, nxpk= 20, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 243, 244, 245,
&end
#
# 17 ALA HN 16 THR MG2 5.50 (# 1564:20 Unique 3.51, 4.49 A)
&rst
ixpk= 1564, nxpk= 20, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 243, 244, 245,
&end
#
# 76 TRP HZ3 16 THR MG2 4.50 (# 1566:20 Unique 3.77, 4.93 A)
&rst
ixpk= 1566, nxpk= 20, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 243, 244, 245,
&end
#
# 16 THR HB 16 THR MG2 3.50 (# 1568:20 Unique 2.34, 2.65 A)
&rst
ixpk= 1568, nxpk= 20, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 243, 244, 245,
&end
#
# 16 THR HA 16 THR MG2 3.50 (# 1569:20 Unique 2.56, 3.25 A)
&rst
ixpk= 1569, nxpk= 20, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 243, 244, 245,
&end
#
# 0 AMB 20-2:1570 16 THR MG2 5.50 (# 1570:20 Single Ambig)
&rst
ixpk= 1570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1168,1169, 299, 300,
igr2= 243, 244, 245,
&end
#
# 0 AMB 20-2:1571 16 THR MG2 5.50 (# 1571:20 Single Ambig)
&rst
ixpk= 1571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 275, 276,1714,1715,
igr2= 243, 244, 245,
&end
#
# 80 LEU HG 16 THR MG2 4.50 (# 1572:20 Unique 3.07, 5.40 A)
&rst
ixpk= 1572, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 243, 244, 245,
&end
#
# 112 MET ME 17 ALA MB 4.50 (# 1573:20 Unique 2.46, 4.56 A)
&rst
ixpk= 1573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1718,1719,1720,
igr2= 255, 256, 257,
&end
#
# 0 AMB 20-2:1575 0 AMB 20-1:1575 6.50 (# 1575:20 Double Ambig)
&rst
ixpk= 1575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.04, r4=11.54,
igr1= 275, 276,1714,1715,
igr2= 343, 344, 345, 255, 256, 257,
&end
#
# 23 ALA HN 23 ALA MB 3.50 (# 1577:20 Unique 2.45, 2.88 A)
&rst
ixpk= 1577, nxpk= 20, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 343, 344, 345,
&end
#
# 0 AMB 20-2:1578 0 AMB 20-1:1578 3.50 (# 1578:20 Double Ambig)
&rst
ixpk= 1578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 261, 349,
igr2= 255, 256, 257, 343, 344, 345,
&end
#
# 21 THR MG2 18 ALA HA 4.50 (# 1579:20 Unique 4.27, 5.07 A)
&rst
ixpk= 1579, nxpk= 20, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 321, 322, 323,
&end
#
# 15 GLU HA 18 ALA MB 3.50 (# 1581:20 Unique 2.65, 3.71 A)
&rst
ixpk= 1581, nxpk= 20, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 265, 266, 267,
&end
#
# 18 ALA HA 18 ALA MB 3.50 (# 1582:20 Unique 2.44, 2.66 A)
&rst
ixpk= 1582, nxpk= 20, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 265, 266, 267,
&end
#
# 0 AMB 20-2:1583 18 ALA MB 3.50 (# 1583:20 Single Ambig)
&rst
ixpk= 1583, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 261, 271,
igr2= 265, 266, 267,
&end
#
# 22 ALA MB 19 ARG HA 3.50 (# 1585:20 Unique 2.56, 3.63 A)
&rst
ixpk= 1585, nxpk= 20, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 333, 334, 335,
&end
#
# 19 ARG HG+ 19 ARG HA 3.50 (# 1586:20 Unique 2.34, 3.05 A)
&rst
ixpk= 1586, nxpk= 20, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 278, 279,
&end
#
# 19 ARG HG- 19 ARG HA 3.50 (# 1587:20 Unique 2.34, 3.05 A)
&rst
ixpk= 1587, nxpk= 20, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 278, 279,
&end
#
# 19 ARG HB+ 19 ARG HA 3.50 (# 1588:20 Unique 2.44, 2.79 A)
&rst
ixpk= 1588, nxpk= 20, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 275, 276,
&end
#
# 34 SER HB+ 34 SER HA 2.80 (# 1589:20 Unique 2.36, 2.72 A)
&rst
ixpk= 1589, nxpk= 20, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 514, 515,
&end
#
# 34 SER HB- 34 SER HA 3.50 (# 1590:20 Unique 2.36, 2.72 A)
&rst
ixpk= 1590, nxpk= 20, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 514, 515,
&end
#
# 22 ALA HN 19 ARG HA 5.50 (# 1591:20 Unique 3.09, 3.37 A)
&rst
ixpk= 1591, nxpk= 20, iat= 329, 273, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1592 0 AMB 20-1:1592 3.50 (# 1592:20 Double Ambig)
&rst
ixpk= 1592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 271, 521,
igr2= 273, 512,
&end
#
# 0 AMB 20-2:1593 34 SER HA 3.50 (# 1593:20 Single Ambig)
&rst
ixpk= 1593, nxpk= 20, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 510, 528,
&end
#
# 0 AMB 20-2:1596 19 ARG HA 5.50 (# 1596:20 Single Ambig)
&rst
ixpk= 1596, nxpk= 20, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 281, 282, 281, 282,
&end
#
# 19 ARG HN 19 ARG HB+ 4.50 (# 1597:20 Unique 2.21, 2.80 A)
&rst
ixpk= 1597, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 275, 276,
&end
#
# 19 ARG HN 19 ARG HB- 4.50 (# 1598:20 Unique 2.21, 2.80 A)
&rst
ixpk= 1598, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 275, 276,
&end
#
# 0 AMB 20-2:1599 19 ARG HG- 4.50 (# 1599:20 Single Ambig)
&rst
ixpk= 1599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 281, 282, 281, 282,
igr2= 278, 279,
&end
#
# 0 AMB 20-2:1600 0 AMB 20-1:1600 3.50 (# 1600:20 Double Ambig)
&rst
ixpk= 1600, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 281, 282, 281, 282,
igr2= 278, 279, 278, 279,
&end
#
# 12 ARG HN 11 THR HB 4.50 (# 1603:20 Unique 2.39, 2.46 A)
&rst
ixpk= 1603, nxpk= 20, iat= 164, 154, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 THR HN 11 THR HB 4.50 (# 1604:20 Unique 2.49, 2.59 A)
&rst
ixpk= 1604, nxpk= 20, iat= 150, 154, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 VAL HA 11 THR HB 3.50 (# 1605:20 Unique 2.53, 3.14 A)
&rst
ixpk= 1605, nxpk= 20, iat= 112, 154, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 THR MG2 11 THR HB 3.50 (# 1606:20 Unique 2.45, 2.67 A)
&rst
ixpk= 1606, nxpk= 20, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 156, 157, 158,
&end
#
# 12 ARG HD+ 11 THR MG2 5.50 (# 1607:20 Unique 3.22, 6.53 A)
&rst
ixpk= 1607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 174, 175,
igr2= 156, 157, 158,
&end
#
# 0 AMB 20-2:1608 0 AMB 20-1:1608 4.50 (# 1608:20 Double Ambig)
&rst
ixpk= 1608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1748, 188,1176,
igr2=1193, 166,
&end
#
# 80 LEU MDX 12 ARG HA 4.50 (# 1609:20 Unique 4.35, 6.19 A)
&rst
ixpk= 1609, nxpk= 20, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1215,1216,1217,1219,1220,1221,
&end
#
# 0 AMB 20-2:1611 13 ALA MB 4.50 (# 1611:20 Single Ambig)
&rst
ixpk= 1611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 164, 237,
igr2= 192, 193, 194,
&end
#
# 0 AMB 20-2:1612 13 ALA MB 4.50 (# 1612:20 Single Ambig)
&rst
ixpk= 1612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 202, 203, 202, 203,
igr2= 192, 193, 194,
&end
#
# 17 ALA HA 16 THR MG2 5.50 (# 1614:20 Unique 3.68, 4.90 A)
&rst
ixpk= 1614, nxpk= 20, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 243, 244, 245,
&end
#
# 80 LEU MDX 16 THR MG2 6.50 (# 1615:20 Unique 2.32, 5.59 A)
&rst
ixpk= 1615, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
igr1=1215,1216,1217,1219,1220,1221,
igr2= 243, 244, 245,
&end
#
# 17 ALA HN 17 ALA MB 3.50 (# 1616:20 Unique 2.42, 2.86 A)
&rst
ixpk= 1616, nxpk= 20, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 255, 256, 257,
&end
#
# 0 AMB 20-2:1617 0 AMB 20-1:1617 4.50 (# 1617:20 Double Ambig)
&rst
ixpk= 1617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 329, 198,
igr2= 343, 344, 345, 255, 256, 257,
&end
#
# 17 ALA HN 18 ALA MB 5.50 (# 1619:20 Unique 4.85, 5.50 A)
&rst
ixpk= 1619, nxpk= 20, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 265, 266, 267,
&end
#
# 21 THR HB 18 ALA MB 5.50 (# 1620:20 Unique 4.39, 5.21 A)
&rst
ixpk= 1620, nxpk= 20, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 265, 266, 267,
&end
#
# 14 ARG HA 18 ALA MB 5.50 (# 1621:20 Unique 4.93, 6.07 A)
&rst
ixpk= 1621, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 265, 266, 267,
&end
#
# 15 GLU HG+ 18 ALA MB 4.50 (# 1622:20 Unique 4.57, 6.19 A)
&rst
ixpk= 1622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 229, 230,
igr2= 265, 266, 267,
&end
#
# 15 GLU HB- 18 ALA MB 5.50 (# 1623:20 Unique 4.59, 6.26 A)
&rst
ixpk= 1623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 226, 227,
igr2= 265, 266, 267,
&end
#
# 0 AMB 20-2:1625 0 AMB 20-1:1625 4.50 (# 1625:20 Double Ambig)
&rst
ixpk= 1625, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 281, 282, 281, 282,
igr2= 275, 276, 275, 276,
&end
#
# 24 LEU HB- 21 THR HA 4.50 (# 1626:20 Unique 2.46, 3.02 A)
&rst
ixpk= 1626, nxpk= 20, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 353, 354,
&end
#
# 0 AMB 20-2:1627 21 THR HA 4.50 (# 1627:20 Single Ambig)
&rst
ixpk= 1627, nxpk= 20, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1973,1974, 356,
&end
#
# 21 THR HN 21 THR HB 4.50 (# 1628:20 Unique 2.54, 2.68 A)
&rst
ixpk= 1628, nxpk= 20, iat= 315, 319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 ALA HN 22 ALA HA 4.50 (# 1629:20 Unique 3.57, 3.58 A)
&rst
ixpk= 1629, nxpk= 20, iat= 339, 331, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 THR HN 22 ALA MB 5.50 (# 1630:20 Unique 5.00, 5.61 A)
&rst
ixpk= 1630, nxpk= 20, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 333, 334, 335,
&end
#
# 130 TRP HZ2 22 ALA MB 6.50 (# 1632:20 Unique 7.12, 7.79 A)
&rst
ixpk= 1632, nxpk= 20, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 333, 334, 335,
&end
#
# 3 TYR HD 3 TYR HB- 4.50 (# 1634:20 Unique 2.33, 3.08 A)
&rst
ixpk= 1634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 39, 48,
igr2= 35, 36,
&end
#
# 3 TYR HD 3 TYR HB+ 4.50 (# 1635:20 Unique 2.33, 3.08 A)
&rst
ixpk= 1635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 39, 48,
igr2= 35, 36,
&end
#
# 3 TYR HA 3 TYR HB- 4.50 (# 1636:20 Unique 2.30, 2.48 A)
&rst
ixpk= 1636, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 35, 36,
&end
#
# 3 TYR HA 3 TYR HB+ 4.50 (# 1637:20 Unique 2.30, 2.48 A)
&rst
ixpk= 1637, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 35, 36,
&end
#
# 6 GLU HB+ 6 GLU HA 2.80 (# 1640:20 Unique 2.37, 2.63 A)
&rst
ixpk= 1640, nxpk= 20, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 87, 88,
&end
#
# 114 ASN HA 9 ALA MB 3.50 (# 1641:20 Unique 2.20, 2.97 A)
&rst
ixpk= 1641, nxpk= 20, iat=1736, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 130, 131, 132,
&end
#
# 0 AMB 20-2:1642 0 AMB 20-1:1642 4.50 (# 1642:20 Double Ambig)
&rst
ixpk= 1642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1738,1739, 69, 70, 69, 70, 208, 209,
igr2= 130, 131, 132, 192, 193, 194,
&end
#
# 0 AMB 20-2:1643 0 AMB 20-1:1643 5.50 (# 1643:20 Double Ambig)
&rst
ixpk= 1643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1168,1169,1168,1169,
igr2= 130, 131, 132, 192, 193, 194,
&end
#
# 114 ASN HB+ 9 ALA MB 4.50 (# 1644:20 Unique 2.27, 3.83 A)
&rst
ixpk= 1644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1738,1739,
igr2= 130, 131, 132,
&end
#
# 0 AMB 20-2:1645 13 ALA MB 2.80 (# 1645:20 Single Ambig)
&rst
ixpk= 1645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1215,1216,1217,1219,1220,1221,1824,1825,1826,1828,
1829,1830,
igr2= 192, 193, 194,
&end
#
# 10 ASN HB+ 10 ASN HA 2.80 (# 1646:20 Unique 2.44, 2.77 A)
&rst
ixpk= 1646, nxpk= 20, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 140, 141,
&end
#
# 0 AMB 20-2:1647 10 ASN HA 5.50 (# 1647:20 Single Ambig)
&rst
ixpk= 1647, nxpk= 20, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 128, 112,
&end
#
# 10 ASN HD2- 10 ASN HA 3.50 (# 1648:20 Unique 3.06, 3.83 A)
&rst
ixpk= 1648, nxpk= 20, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 145, 146,
&end
#
# 14 ARG HN 13 ALA MB 4.50 (# 1650:20 Unique 2.49, 3.41 A)
&rst
ixpk= 1650, nxpk= 20, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 192, 193, 194,
&end
#
# 18 ALA HN 14 ARG HA 4.50 (# 1651:20 Unique 3.86, 4.16 A)
&rst
ixpk= 1651, nxpk= 20, iat= 261, 200, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 ALA HA 14 ARG HA 5.50 (# 1652:20 Unique 5.35, 5.51 A)
&rst
ixpk= 1652, nxpk= 20, iat= 253, 200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1653 14 ARG HA 3.50 (# 1653:20 Single Ambig)
&rst
ixpk= 1653, nxpk= 20, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 202, 203, 202, 203,
&end
#
# 14 ARG HN 0 AMB 20-1:1654 5.50 (# 1654:20 Single Ambig)
&rst
ixpk= 1654, nxpk= 20, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 208, 209, 208, 209,
&end
#
# 0 AMB 20-2:1655 15 GLU HA 6.50 (# 1655:20 Single Ambig)
&rst
ixpk= 1655, nxpk= 20, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 208, 209, 208, 209,
&end
#
# 12 ARG HD- 16 THR MG2 6.50 (# 1658:20 Unique 6.85, 8.54 A)
&rst
ixpk= 1658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 174, 175,
igr2= 243, 244, 245,
&end
#
# 80 LEU HB- 16 THR MG2 4.50 (# 1659:20 Unique 3.64, 5.44 A)
&rst
ixpk= 1659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1210,1211,
igr2= 243, 244, 245,
&end
#
# 19 ARG HB- 19 ARG HA 3.50 (# 1661:20 Unique 2.44, 2.79 A)
&rst
ixpk= 1661, nxpk= 20, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 275, 276,
&end
#
# 49 ILE QD1 23 ALA HA 4.50 (# 1663:20 Unique 4.03, 5.19 A)
&rst
ixpk= 1663, nxpk= 20, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 743, 744, 745,
&end
#
# 24 LEU HN 24 LEU HG 4.50 (# 1665:20 Unique 4.42, 4.46 A)
&rst
ixpk= 1665, nxpk= 20, iat= 349, 356, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 ILE QD1 24 LEU HG 4.50 (# 1666:20 Unique 2.61, 3.67 A)
&rst
ixpk= 1666, nxpk= 20, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 425, 426, 427,
&end
#
# 24 LEU HN 24 LEU MDX 5.50 (# 1667:20 Unique 4.49, 5.12 A)
&rst
ixpk= 1667, nxpk= 20, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 358, 359, 360, 362, 363, 364,
&end
#
# 42 PHE HD 24 LEU MDX 6.50 (# 1668:20 Unique 7.40,10.32 A)
&rst
ixpk= 1668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1= 626, 634,
igr2= 358, 359, 360, 362, 363, 364,
&end
#
# 0 AMB 20-2:1669 24 LEU MDX 5.50 (# 1669:20 Single Ambig)
&rst
ixpk= 1669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1959, 307,
igr2= 358, 359, 360, 362, 363, 364,
&end
#
# 0 AMB 20-2:1670 24 LEU MDX 4.50 (# 1670:20 Single Ambig)
&rst
ixpk= 1670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 595, 596, 597, 425, 426, 427,
igr2= 358, 359, 360, 362, 363, 364,
&end
#
# 28 ILE HB 25 GLU HA 3.50 (# 1671:20 Unique 2.52, 2.74 A)
&rst
ixpk= 1671, nxpk= 20, iat= 416, 370, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1672 25 GLU HB- 3.50 (# 1672:20 Single Ambig)
&rst
ixpk= 1672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 383,1955,
igr2= 372, 373,
&end
#
# 25 GLU HA 25 GLU HG- 4.50 (# 1673:20 Unique 2.35, 2.69 A)
&rst
ixpk= 1673, nxpk= 20, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 375, 376,
&end
#
# 25 GLU HA 25 GLU HG+ 4.50 (# 1674:20 Unique 2.35, 2.69 A)
&rst
ixpk= 1674, nxpk= 20, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 375, 376,
&end
#
# 0 AMB 20-2:1675 25 GLU HG- 4.50 (# 1675:20 Single Ambig)
&rst
ixpk= 1675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1955, 383,
igr2= 375, 376,
&end
#
# 0 AMB 20-2:1676 0 AMB 20-1:1676 5.50 (# 1676:20 Double Ambig)
&rst
ixpk= 1676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1955, 383,
igr2= 375, 376, 375, 376,
&end
#
# 25 GLU HN 25 GLU HG+ 4.50 (# 1677:20 Unique 4.17, 4.45 A)
&rst
ixpk= 1677, nxpk= 20, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 375, 376,
&end
#
# 25 GLU HN 25 GLU HG- 4.50 (# 1678:20 Unique 4.17, 4.45 A)
&rst
ixpk= 1678, nxpk= 20, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 375, 376,
&end
#
# 26 LEU HN 26 LEU HB- 4.50 (# 1679:20 Unique 2.03, 2.41 A)
&rst
ixpk= 1679, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 387, 388,
&end
#
# 27 ALA HN 26 LEU HB- 3.50 (# 1680:20 Unique 2.56, 3.37 A)
&rst
ixpk= 1680, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 387, 388,
&end
#
# 0 AMB 20-2:1681 0 AMB 20-1:1681 5.50 (# 1681:20 Double Ambig)
&rst
ixpk= 1681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1007,1008, 383,
igr2= 985, 986, 987, 989, 990, 991, 392, 393, 394, 396,
397, 398,
&end
#
# 26 LEU HA 26 LEU MDX 3.50 (# 1684:20 Unique 2.53, 4.19 A)
&rst
ixpk= 1684, nxpk= 20, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 0 AMB 20-2:1685 0 AMB 20-1:1685 4.50 (# 1685:20 Double Ambig)
&rst
ixpk= 1685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 453, 454, 453, 454,
igr2= 392, 393, 394, 396, 397, 398, 985, 986, 987, 989,
990, 991,
&end
#
# 0 AMB 20-2:1686 0 AMB 20-1:1686 3.50 (# 1686:20 Double Ambig)
&rst
ixpk= 1686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1016,1017, 447, 448,
igr2= 985, 986, 987, 989, 990, 991, 392, 393, 394, 396,
397, 398,
&end
#
# 0 AMB 20-2:1687 0 AMB 20-1:1687 2.80 (# 1687:20 Double Ambig)
&rst
ixpk= 1687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 983, 450, 451,
igr2= 985, 986, 987, 989, 990, 991, 392, 393, 394, 396,
397, 398,
&end
#
# 26 LEU HB- 26 LEU MDX 2.80 (# 1688:20 Unique 2.35, 3.28 A)
&rst
ixpk= 1688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 387, 388,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 0 AMB 20-2:1690 26 LEU MDY 3.50 (# 1690:20 Single Ambig)
&rst
ixpk= 1690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 447, 448, 447, 448,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 27 ALA HN 27 ALA MB 3.50 (# 1691:20 Unique 2.44, 2.87 A)
&rst
ixpk= 1691, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 406, 407, 408,
&end
#
# 28 ILE HN 27 ALA MB 3.50 (# 1692:20 Unique 2.60, 3.54 A)
&rst
ixpk= 1692, nxpk= 20, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 406, 407, 408,
&end
#
# 27 ALA HA 27 ALA MB 3.50 (# 1693:20 Unique 2.43, 2.65 A)
&rst
ixpk= 1693, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 406, 407, 408,
&end
#
# 24 LEU HA 27 ALA MB 3.50 (# 1694:20 Unique 2.31, 3.12 A)
&rst
ixpk= 1694, nxpk= 20, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 406, 407, 408,
&end
#
# 24 LEU MDX 27 ALA MB 2.80 (# 1696:20 Unique 2.43, 5.79 A)
&rst
ixpk= 1696, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 358, 359, 360, 362, 363, 364,
igr2= 406, 407, 408,
&end
#
# 38 VAL MGX 27 ALA MB 2.80 (# 1697:20 Unique 2.37, 4.94 A)
&rst
ixpk= 1697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 565, 566, 567, 569, 570, 571,
igr2= 406, 407, 408,
&end
#
# 28 ILE HB 28 ILE HA 4.50 (# 1698:20 Unique 3.00, 3.04 A)
&rst
ixpk= 1698, nxpk= 20, iat= 416, 414, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1699 28 ILE QG2 5.50 (# 1699:20 Single Ambig)
&rst
ixpk= 1699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 412, 443,
igr2= 418, 419, 420,
&end
#
# 0 AMB 20-2:1701 28 ILE QG2 5.50 (# 1701:20 Single Ambig)
&rst
ixpk= 1701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 433, 481,
igr2= 418, 419, 420,
&end
#
# 28 ILE HA 28 ILE QG2 3.50 (# 1703:20 Unique 2.37, 3.21 A)
&rst
ixpk= 1703, nxpk= 20, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 418, 419, 420,
&end
#
# 0 AMB 20-2:1704 28 ILE QG2 6.50 (# 1704:20 Single Ambig)
&rst
ixpk= 1704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1=1946,1947,1946,1947,
igr2= 418, 419, 420,
&end
#
# 25 GLU HA 28 ILE QG2 4.50 (# 1705:20 Unique 4.44, 5.08 A)
&rst
ixpk= 1705, nxpk= 20, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 418, 419, 420,
&end
#
# 104 GLN HG- 28 ILE QG2 6.50 (# 1707:20 Unique 7.01, 8.85 A)
&rst
ixpk= 1707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1581,1582,
igr2= 418, 419, 420,
&end
#
# 28 ILE HB 28 ILE QG2 3.50 (# 1708:20 Unique 2.43, 2.68 A)
&rst
ixpk= 1708, nxpk= 20, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 418, 419, 420,
&end
#
# 28 ILE QD1 28 ILE QG2 2.80 (# 1710:20 Unique 2.25, 3.87 A)
&rst
ixpk= 1710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 425, 426, 427,
igr2= 418, 419, 420,
&end
#
# 24 LEU HB+ 28 ILE QD1 4.50 (# 1712:20 Unique 4.55, 5.99 A)
&rst
ixpk= 1712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 353, 354,
igr2= 425, 426, 427,
&end
#
# 105 ILE QG2 28 ILE QD1 5.50 (# 1713:20 Unique 5.32, 7.08 A)
&rst
ixpk= 1713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1597,1598,1599,
igr2= 425, 426, 427,
&end
#
# 99 ILE QG2 28 ILE QD1 3.50 (# 1715:20 Unique 2.18, 4.66 A)
&rst
ixpk= 1715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1513,1514,1515,
igr2= 425, 426, 427,
&end
#
# 29 ASP HB+ 29 ASP HA 3.50 (# 1717:20 Unique 2.37, 2.73 A)
&rst
ixpk= 1717, nxpk= 20, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 435, 436,
&end
#
# 29 ASP HB- 29 ASP HA 2.80 (# 1718:20 Unique 2.37, 2.73 A)
&rst
ixpk= 1718, nxpk= 20, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 435, 436,
&end
#
# 0 AMB 20-2:1719 0 AMB 20-1:1719 3.50 (# 1719:20 Double Ambig)
&rst
ixpk= 1719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 483, 484, 485,1819,1820,
igr2= 433, 138,
&end
#
# 28 ILE QG2 29 ASP HA 4.50 (# 1720:20 Unique 3.57, 4.75 A)
&rst
ixpk= 1720, nxpk= 20, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 418, 419, 420,
&end
#
# 0 AMB 20-2:1721 0 AMB 20-1:1721 3.50 (# 1721:20 Double Ambig)
&rst
ixpk= 1721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 443,1086,
igr2= 435, 436,1063,1064,
&end
#
# 0 AMB 20-2:1722 29 ASP HB- 4.50 (# 1722:20 Single Ambig)
&rst
ixpk= 1722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 392, 393, 394, 396, 397, 398, 500, 501, 502, 504,
505, 506,
igr2= 435, 436,
&end
#
# 26 LEU MDX 29 ASP HB+ 5.50 (# 1723:20 Unique 3.56, 6.70 A)
&rst
ixpk= 1723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 392, 393, 394, 396, 397, 398,
igr2= 435, 436,
&end
#
# 0 AMB 20-2:1725 0 AMB 20-1:1725 4.50 (# 1725:20 Double Ambig)
&rst
ixpk= 1725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1371,1372, 999,1000,1075,1076,
igr2= 653, 654, 653, 654,1063,1064,
&end
#
# 0 AMB 20-2:1726 0 AMB 20-1:1726 5.50 (# 1726:20 Double Ambig)
&rst
ixpk= 1726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 447, 448, 372, 373,
igr2= 435, 436, 435, 436,
&end
#
# 0 AMB 20-2:1727 30 ARG HB- 3.50 (# 1727:20 Single Ambig)
&rst
ixpk= 1727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 445, 514, 515,
igr2= 447, 448,
&end
#
# 0 AMB 20-2:1728 30 ARG HB- 4.50 (# 1728:20 Single Ambig)
&rst
ixpk= 1728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 565, 566, 567, 569, 570, 571, 772, 773, 774, 776,
777, 778,
igr2= 447, 448,
&end
#
# 0 AMB 20-2:1729 0 AMB 20-1:1729 3.50 (# 1729:20 Double Ambig)
&rst
ixpk= 1729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 445, 514, 515,
igr2= 450, 451, 450, 451,
&end
#
# 30 ARG HD+ 30 ARG HG+ 3.50 (# 1730:20 Unique 2.21, 2.70 A)
&rst
ixpk= 1730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 453, 454,
igr2= 450, 451,
&end
#
# 30 ARG HD+ 30 ARG HG- 4.50 (# 1732:20 Unique 2.21, 2.70 A)
&rst
ixpk= 1732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 453, 454,
igr2= 450, 451,
&end
#
# 30 ARG HD- 30 ARG HG- 4.50 (# 1733:20 Unique 2.21, 2.70 A)
&rst
ixpk= 1733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 453, 454,
igr2= 450, 451,
&end
#
# 31 ALA MB 31 ALA HA 5.50 (# 1734:20 Unique 2.35, 2.66 A)
&rst
ixpk= 1734, nxpk= 20, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 471, 472, 473,
&end
#
# 0 AMB 20-2:1735 31 ALA MB 4.50 (# 1735:20 Single Ambig)
&rst
ixpk= 1735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 514, 515, 404,
igr2= 471, 472, 473,
&end
#
# 0 AMB 20-2:1736 0 AMB 20-1:1736 5.50 (# 1736:20 Double Ambig)
&rst
ixpk= 1736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1892,1893,1894,1896,1897,1898, 418, 419, 420,
igr2=2111, 481,
&end
#
# 0 AMB 20-2:1737 0 AMB 20-1:1737 3.50 (# 1737:20 Double Ambig)
&rst
ixpk= 1737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 477,2121,
igr2= 481,2111,
&end
#
# 0 AMB 20-2:1738 32 THR HB 4.50 (# 1738:20 Single Ambig)
&rst
ixpk= 1738, nxpk= 20, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 491,1545,
&end
#
# 0 AMB 20-2:1739 33 LEU HA 3.50 (# 1739:20 Single Ambig)
&rst
ixpk= 1739, nxpk= 20, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 491, 510,
&end
#
# 33 LEU HB+ 33 LEU HA 3.50 (# 1741:20 Unique 2.28, 2.73 A)
&rst
ixpk= 1741, nxpk= 20, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 495, 496,
&end
#
# 33 LEU HG 33 LEU HA 4.50 (# 1742:20 Unique 2.97, 3.14 A)
&rst
ixpk= 1742, nxpk= 20, iat= 498, 493, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 LEU HB- 33 LEU HA 2.80 (# 1743:20 Unique 2.28, 2.73 A)
&rst
ixpk= 1743, nxpk= 20, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 495, 496,
&end
#
# 32 THR MG2 33 LEU HA 3.50 (# 1744:20 Unique 3.64, 4.69 A)
&rst
ixpk= 1744, nxpk= 20, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 483, 484, 485,
&end
#
# 33 LEU MDX 33 LEU HA 3.50 (# 1745:20 Unique 2.15, 3.96 A)
&rst
ixpk= 1745, nxpk= 20, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 500, 501, 502, 504, 505, 506,
&end
#
# 0 AMB 20-2:1746 33 LEU HB- 5.50 (# 1746:20 Single Ambig)
&rst
ixpk= 1746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 512, 433,
igr2= 495, 496,
&end
#
# 0 AMB 20-2:1747 0 AMB 20-1:1747 4.50 (# 1747:20 Double Ambig)
&rst
ixpk= 1747, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 512, 433,
igr2= 495, 496, 495, 496,
&end
#
# 30 ARG HA 33 LEU HB- 3.50 (# 1748:20 Unique 2.34, 3.43 A)
&rst
ixpk= 1748, nxpk= 20, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 495, 496,
&end
#
# 0 AMB 20-2:1749 0 AMB 20-1:1749 4.50 (# 1749:20 Double Ambig)
&rst
ixpk= 1749, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 510, 491, 402,
igr2= 500, 501, 502, 504, 505, 506, 392, 393, 394, 396,
397, 398,
&end
#
# 0 AMB 20-2:1750 0 AMB 20-1:1750 3.50 (# 1750:20 Double Ambig)
&rst
ixpk= 1750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 493, 341,
igr2= 500, 501, 502, 504, 505, 506, 392, 393, 394, 396,
397, 398,
&end
#
# 29 ASP HB+ 33 LEU MDX 4.50 (# 1751:20 Unique 4.26, 6.80 A)
&rst
ixpk= 1751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 435, 436,
igr2= 500, 501, 502, 504, 505, 506,
&end
#
# 88 LYS HG- 88 LYS HA 6.50 (# 1754:20 Unique 2.67, 3.85 A)
&rst
ixpk= 1754, nxpk= 20, iat= -1,1344, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1349,1350,
&end
#
# 88 LYS HB+ 88 LYS HA 5.50 (# 1755:20 Unique 2.26, 2.43 A)
&rst
ixpk= 1755, nxpk= 20, iat= -1,1344, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1346,1347,
&end
#
# 88 LYS HB- 88 LYS HA 5.50 (# 1756:20 Unique 2.26, 2.43 A)
&rst
ixpk= 1756, nxpk= 20, iat= -1,1344, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1346,1347,
&end
#
# 38 VAL HN 37 PRO HA 4.50 (# 1757:20 Unique 2.18, 2.26 A)
&rst
ixpk= 1757, nxpk= 20, iat= 559, 555, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 PRO HB- 37 PRO HA 5.50 (# 1758:20 Unique 2.27, 2.70 A)
&rst
ixpk= 1758, nxpk= 20, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 552, 553,
&end
#
# 0 AMB 20-2:1759 37 PRO HA 5.50 (# 1759:20 Single Ambig)
&rst
ixpk= 1759, nxpk= 20, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 552, 553, 549, 550,
&end
#
# 0 AMB 20-2:1760 37 PRO HA 5.50 (# 1760:20 Single Ambig)
&rst
ixpk= 1760, nxpk= 20, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 563,1511, 532, 533,
&end
#
# 0 AMB 20-2:1761 0 AMB 20-1:1761 5.50 (# 1761:20 Double Ambig)
&rst
ixpk= 1761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 969, 970, 549, 550,
igr2= 972, 555,
&end
#
# 38 VAL HN 37 PRO HB- 4.50 (# 1762:20 Unique 2.84, 3.31 A)
&rst
ixpk= 1762, nxpk= 20, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 552, 553,
&end
#
# 38 VAL HN 37 PRO HB+ 4.50 (# 1763:20 Unique 2.84, 3.31 A)
&rst
ixpk= 1763, nxpk= 20, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 552, 553,
&end
#
# 61 TRP HH2 37 PRO HB- 5.50 (# 1764:20 Unique 2.95, 3.83 A)
&rst
ixpk= 1764, nxpk= 20, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 552, 553,
&end
#
# 61 TRP HH2 37 PRO HB+ 5.50 (# 1765:20 Unique 2.95, 3.83 A)
&rst
ixpk= 1765, nxpk= 20, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 552, 553,
&end
#
# 37 PRO HA 37 PRO HB- 3.50 (# 1766:20 Unique 2.27, 2.70 A)
&rst
ixpk= 1766, nxpk= 20, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 552, 553,
&end
#
# 37 PRO HA 37 PRO HB+ 3.50 (# 1767:20 Unique 2.27, 2.70 A)
&rst
ixpk= 1767, nxpk= 20, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 552, 553,
&end
#
# 39 GLY HN 38 VAL MGX 4.50 (# 1768:20 Unique 2.29, 3.82 A)
&rst
ixpk= 1768, nxpk= 20, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 38 VAL HN 38 VAL MGX 5.50 (# 1769:20 Unique 2.39, 4.20 A)
&rst
ixpk= 1769, nxpk= 20, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 36 GLN HN 38 VAL MGX 6.50 (# 1770:20 Unique 4.66, 7.22 A)
&rst
ixpk= 1770, nxpk= 20, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 98 VAL HA 38 VAL MGX 6.50 (# 1773:20 Unique 4.91, 7.06 A)
&rst
ixpk= 1773, nxpk= 20, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 0 AMB 20-2:1774 38 VAL MGX 4.50 (# 1774:20 Single Ambig)
&rst
ixpk= 1774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 783, 784, 404,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 0 AMB 20-2:1775 38 VAL MGX 4.50 (# 1775:20 Single Ambig)
&rst
ixpk= 1775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 447, 448, 447, 448,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 51 VAL MGX 38 VAL MGX 3.50 (# 1776:20 Unique 2.31, 5.59 A)
&rst
ixpk= 1776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 772, 773, 774, 776, 777, 778,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 39 GLY HN 38 VAL MGY 4.50 (# 1777:20 Unique 2.29, 3.82 A)
&rst
ixpk= 1777, nxpk= 20, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 38 VAL HN 38 VAL MGY 4.50 (# 1778:20 Unique 2.39, 4.20 A)
&rst
ixpk= 1778, nxpk= 20, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 31 ALA HN 38 VAL MGY 3.50 (# 1779:20 Unique 2.74, 4.46 A)
&rst
ixpk= 1779, nxpk= 20, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 36 GLN HN 38 VAL MGY 5.50 (# 1780:20 Unique 4.66, 7.22 A)
&rst
ixpk= 1780, nxpk= 20, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 31 ALA HA 38 VAL MGY 3.50 (# 1781:20 Unique 2.14, 4.32 A)
&rst
ixpk= 1781, nxpk= 20, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 0 AMB 20-2:1783 38 VAL MGY 3.50 (# 1783:20 Single Ambig)
&rst
ixpk= 1783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 783, 784, 404,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 0 AMB 20-2:1784 0 AMB 20-1:1784 4.50 (# 1784:20 Double Ambig)
&rst
ixpk= 1784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 582,1669,
igr2= 592, 593,1676,
&end
#
# 40 ILE HN 40 ILE HG1+ 5.50 (# 1785:20 Unique 2.78, 3.47 A)
&rst
ixpk= 1785, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 592, 593,
&end
#
# 23 ALA MB 40 ILE QD1 6.50 (# 1786:20 Unique 2.79, 5.34 A)
&rst
ixpk= 1786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.37, r4= 9.87,
igr1= 343, 344, 345,
igr2= 595, 596, 597,
&end
#
# 40 ILE QD1 40 ILE QG2 3.50 (# 1787:20 Unique 2.23, 3.71 A)
&rst
ixpk= 1787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 595, 596, 597,
igr2= 588, 589, 590,
&end
#
# 40 ILE HG1+ 40 ILE QG2 4.50 (# 1788:20 Unique 2.55, 3.58 A)
&rst
ixpk= 1788, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 592, 593,
igr2= 588, 589, 590,
&end
#
# 40 ILE HG1- 40 ILE QG2 5.50 (# 1789:20 Unique 2.55, 3.58 A)
&rst
ixpk= 1789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 592, 593,
igr2= 588, 589, 590,
&end
#
# 40 ILE HB 40 ILE QG2 4.50 (# 1790:20 Unique 2.44, 2.68 A)
&rst
ixpk= 1790, nxpk= 20, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 588, 589, 590,
&end
#
# 20 PHE HE 40 ILE QG2 5.50 (# 1792:20 Unique 2.28, 5.94 A)
&rst
ixpk= 1792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 305, 309,
igr2= 588, 589, 590,
&end
#
# 41 HIS HN 40 ILE QG2 4.50 (# 1793:20 Unique 2.60, 3.41 A)
&rst
ixpk= 1793, nxpk= 20, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 588, 589, 590,
&end
#
# 44 ASP HA 0 AMB 20-1:1794 2.80 (# 1794:20 Single Ambig)
&rst
ixpk= 1794, nxpk= 20, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 653, 654, 653, 654,
&end
#
# 0 AMB 20-2:1795 0 AMB 20-1:1795 5.50 (# 1795:20 Double Ambig)
&rst
ixpk= 1795, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 999,1000,1075,1076, 447, 448,
igr2=1063,1064, 435, 436,
&end
#
# 45 SER HB+ 45 SER HA 6.50 (# 1796:20 Unique 2.40, 2.57 A)
&rst
ixpk= 1796, nxpk= 20, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 665, 666,
&end
#
# 45 SER HN 45 SER HB+ 5.50 (# 1797:20 Unique 2.46, 3.33 A)
&rst
ixpk= 1797, nxpk= 20, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 665, 666,
&end
#
# 45 SER HA 45 SER HB- 3.50 (# 1798:20 Unique 2.40, 2.57 A)
&rst
ixpk= 1798, nxpk= 20, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 665, 666,
&end
#
# 45 SER HA 45 SER HB+ 3.50 (# 1799:20 Unique 2.40, 2.57 A)
&rst
ixpk= 1799, nxpk= 20, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 665, 666,
&end
#
# 73 GLN HE2+ 46 ALA MB 5.50 (# 1800:20 Unique 5.88, 7.44 A)
&rst
ixpk= 1800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1109,1110,
igr2= 676, 677, 678,
&end
#
# 46 ALA HA 46 ALA MB 3.50 (# 1801:20 Unique 2.42, 2.67 A)
&rst
ixpk= 1801, nxpk= 20, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 676, 677, 678,
&end
#
# 0 AMB 20-2:1802 46 ALA MB 5.50 (# 1802:20 Single Ambig)
&rst
ixpk= 1802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1394,1395, 686, 687,
igr2= 676, 677, 678,
&end
#
# 73 GLN HB- 46 ALA MB 4.50 (# 1804:20 Unique 2.51, 5.05 A)
&rst
ixpk= 1804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1101,1102,
igr2= 676, 677, 678,
&end
#
# 0 AMB 20-2:1805 49 ILE HB 3.50 (# 1805:20 Single Ambig)
&rst
ixpk= 1805, nxpk= 20, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 985, 986, 987, 989, 990, 991, 743, 744, 745,
&end
#
# 49 ILE QG2 49 ILE HB 3.50 (# 1806:20 Unique 2.41, 2.67 A)
&rst
ixpk= 1806, nxpk= 20, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 736, 737, 738,
&end
#
# 49 ILE HN 49 ILE HB 4.50 (# 1808:20 Unique 2.58, 2.70 A)
&rst
ixpk= 1808, nxpk= 20, iat= 730, 734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 ALA HA 49 ILE QD1 6.50 (# 1810:20 Unique 4.03, 5.19 A)
&rst
ixpk= 1810, nxpk= 20, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 743, 744, 745,
&end
#
# 64 LEU HA 49 ILE QG2 5.50 (# 1812:20 Unique 4.54, 6.25 A)
&rst
ixpk= 1812, nxpk= 20, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 736, 737, 738,
&end
#
# 50 MET HA 50 MET ME 6.50 (# 1813:20 Unique 3.88, 4.90 A)
&rst
ixpk= 1813, nxpk= 20, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 760, 761, 762,
&end
#
# 61 TRP HA 50 MET ME 4.50 (# 1814:20 Unique 4.25, 5.43 A)
&rst
ixpk= 1814, nxpk= 20, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 760, 761, 762,
&end
#
# 93 ASN HA 50 MET ME 4.50 (# 1815:20 Unique 3.41, 4.70 A)
&rst
ixpk= 1815, nxpk= 20, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 760, 761, 762,
&end
#
# 63 PRO HD+ 50 MET ME 4.50 (# 1816:20 Unique 2.69, 4.82 A)
&rst
ixpk= 1816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 963, 964,
igr2= 760, 761, 762,
&end
#
# 61 TRP HB- 50 MET ME 4.50 (# 1817:20 Unique 2.14, 3.57 A)
&rst
ixpk= 1817, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 926, 927,
igr2= 760, 761, 762,
&end
#
# 93 ASN HB- 50 MET ME 5.50 (# 1819:20 Unique 4.45, 6.61 A)
&rst
ixpk= 1819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1417,1418,
igr2= 760, 761, 762,
&end
#
# 50 MET HB- 50 MET ME 5.50 (# 1820:20 Unique 2.25, 3.75 A)
&rst
ixpk= 1820, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 753, 754,
igr2= 760, 761, 762,
&end
#
# 52 PRO HD+ 51 VAL MGX 4.50 (# 1822:20 Unique 2.05, 4.47 A)
&rst
ixpk= 1822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 783, 784,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 52 PRO HD- 51 VAL MGX 4.50 (# 1823:20 Unique 2.05, 4.47 A)
&rst
ixpk= 1823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 783, 784,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 62 VAL HB 51 VAL MGX 4.50 (# 1824:20 Unique 2.26, 5.00 A)
&rst
ixpk= 1824, nxpk= 20, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 52 PRO HD- 51 VAL MGY 4.50 (# 1826:20 Unique 2.05, 4.47 A)
&rst
ixpk= 1826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 783, 784,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 52 PRO HB+ 52 PRO HA 4.50 (# 1827:20 Unique 2.26, 2.66 A)
&rst
ixpk= 1827, nxpk= 20, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 789, 790,
&end
#
# 52 PRO HB- 52 PRO HA 4.50 (# 1828:20 Unique 2.26, 2.66 A)
&rst
ixpk= 1828, nxpk= 20, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 789, 790,
&end
#
# 61 TRP HA 52 PRO HA 4.50 (# 1829:20 Unique 2.96, 3.34 A)
&rst
ixpk= 1829, nxpk= 20, iat= 924, 792, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 THR HN 54 LYS HA 3.50 (# 1838:20 Unique 3.43, 3.50 A)
&rst
ixpk= 1838, nxpk= 20, iat= 825, 805, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1839 54 LYS HA 3.50 (# 1839:20 Single Ambig)
&rst
ixpk= 1839, nxpk= 20, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 810, 811, 810, 811,
&end
#
# 54 LYS HD+ 54 LYS HA 4.50 (# 1840:20 Unique 2.25, 4.27 A)
&rst
ixpk= 1840, nxpk= 20, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 813, 814,
&end
#
# 54 LYS HA 0 AMB 20-1:1841 4.50 (# 1841:20 Single Ambig)
&rst
ixpk= 1841, nxpk= 20, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 810, 811, 810, 811,
&end
#
# 0 AMB 20-2:1842 0 AMB 20-1:1842 4.50 (# 1842:20 Double Ambig)
&rst
ixpk= 1842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 816, 817, 816, 817,
igr2= 810, 811, 810, 811,
&end
#
# 54 LYS HA 54 LYS HD+ 5.50 (# 1843:20 Unique 2.25, 4.27 A)
&rst
ixpk= 1843, nxpk= 20, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 813, 814,
&end
#
# 54 LYS HE+ 54 LYS HD+ 3.50 (# 1844:20 Unique 2.36, 2.76 A)
&rst
ixpk= 1844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 816, 817,
igr2= 813, 814,
&end
#
# 0 AMB 20-2:1845 0 AMB 20-1:1845 2.80 (# 1845:20 Double Ambig)
&rst
ixpk= 1845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 810, 811, 810, 811,
igr2= 813, 814, 813, 814,
&end
#
# 0 AMB 20-2:1846 0 AMB 20-1:1846 4.50 (# 1846:20 Double Ambig)
&rst
ixpk= 1846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 810, 811, 810, 811,
igr2= 816, 817, 816, 817,
&end
#
# 54 LYS HD+ 54 LYS HE+ 3.50 (# 1847:20 Unique 2.36, 2.76 A)
&rst
ixpk= 1847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 813, 814,
igr2= 816, 817,
&end
#
# 0 AMB 20-2:1848 55 THR HB 3.50 (# 1848:20 Single Ambig)
&rst
ixpk= 1848, nxpk= 20, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 835, 831, 832, 833,
&end
#
# 57 SER HB+ 55 THR HB 4.50 (# 1849:20 Unique 4.04, 5.37 A)
&rst
ixpk= 1849, nxpk= 20, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 857, 858,
&end
#
# 0 AMB 20-2:1851 55 THR MG2 4.50 (# 1851:20 Single Ambig)
&rst
ixpk= 1851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 908, 909, 908, 909,
igr2= 831, 832, 833,
&end
#
# 0 AMB 20-2:1852 55 THR MG2 4.50 (# 1852:20 Single Ambig)
&rst
ixpk= 1852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 857, 858, 840, 841,
igr2= 831, 832, 833,
&end
#
# 54 LYS HA 55 THR MG2 5.50 (# 1853:20 Unique 4.75, 6.27 A)
&rst
ixpk= 1853, nxpk= 20, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 831, 832, 833,
&end
#
# 55 THR HB 55 THR MG2 3.50 (# 1854:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1854, nxpk= 20, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 831, 832, 833,
&end
#
# 122 LEU HA 135 THR MG2 5.50 (# 1855:20 Unique 4.07, 5.27 A)
&rst
ixpk= 1855, nxpk= 20, iat=1836, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2034,2035,2036,
&end
#
# 56 PRO HB- 56 PRO HA 3.50 (# 1856:20 Unique 2.27, 2.53 A)
&rst
ixpk= 1856, nxpk= 20, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 846, 847,
&end
#
# 56 PRO HB+ 56 PRO HA 3.50 (# 1857:20 Unique 2.27, 2.53 A)
&rst
ixpk= 1857, nxpk= 20, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 846, 847,
&end
#
# 36 GLN HB- 56 PRO HA 3.50 (# 1858:20 Unique 2.28, 3.25 A)
&rst
ixpk= 1858, nxpk= 20, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 532, 533,
&end
#
# 0 AMB 20-2:1859 56 PRO HA 4.50 (# 1859:20 Single Ambig)
&rst
ixpk= 1859, nxpk= 20, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 843, 844, 843, 844,
&end
#
# 43 SER HA 89 PRO HB- 5.50 (# 1860:20 Unique 2.42, 4.07 A)
&rst
ixpk= 1860, nxpk= 20, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1371,1372,
&end
#
# 0 AMB 20-2:1861 56 PRO HD- 5.50 (# 1861:20 Single Ambig)
&rst
ixpk= 1861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 835, 831, 832, 833,
igr2= 840, 841,
&end
#
# 0 AMB 20-2:1862 0 AMB 20-1:1862 5.50 (# 1862:20 Double Ambig)
&rst
ixpk= 1862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 835, 831, 832, 833,
igr2= 840, 841, 840, 841,
&end
#
# 55 THR HB 56 PRO HD+ 4.50 (# 1863:20 Unique 2.74, 4.18 A)
&rst
ixpk= 1863, nxpk= 20, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 840, 841,
&end
#
# 55 THR HB 56 PRO HD- 4.50 (# 1864:20 Unique 2.74, 4.18 A)
&rst
ixpk= 1864, nxpk= 20, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 840, 841,
&end
#
# 59 TRP HN 58 ALA HA 4.50 (# 1865:20 Unique 2.29, 2.59 A)
&rst
ixpk= 1865, nxpk= 20, iat= 874, 866, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 ALA MB 58 ALA HA 3.50 (# 1866:20 Unique 2.40, 2.66 A)
&rst
ixpk= 1866, nxpk= 20, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 868, 869, 870,
&end
#
# 61 TRP HN 60 ARG HA 4.50 (# 1867:20 Unique 2.11, 2.22 A)
&rst
ixpk= 1867, nxpk= 20, iat= 922, 900, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1868 60 ARG HA 3.50 (# 1868:20 Single Ambig)
&rst
ixpk= 1868, nxpk= 20, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 902, 903, 902, 903,
&end
#
# 0 AMB 20-2:1869 0 AMB 20-1:1869 2.80 (# 1869:20 Double Ambig)
&rst
ixpk= 1869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 905, 906, 905, 906, 905, 906,
igr2= 902, 903, 902, 903, 902, 903,
&end
#
# 0 AMB 20-2:1870 60 ARG HB- 4.50 (# 1870:20 Single Ambig)
&rst
ixpk= 1870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 908, 909, 908, 909,
igr2= 902, 903,
&end
#
# 0 AMB 20-2:1871 0 AMB 20-1:1871 4.50 (# 1871:20 Double Ambig)
&rst
ixpk= 1871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 908, 909, 908, 909, 908, 909,
igr2= 902, 903, 902, 903, 902, 903,
&end
#
# 61 TRP HN 60 ARG HB+ 4.50 (# 1872:20 Unique 3.63, 4.14 A)
&rst
ixpk= 1872, nxpk= 20, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 902, 903,
&end
#
# 61 TRP HA 61 TRP HB- 5.50 (# 1873:20 Unique 2.50, 2.78 A)
&rst
ixpk= 1873, nxpk= 20, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 926, 927,
&end
#
# 62 VAL MGY 62 VAL HB 3.50 (# 1874:20 Unique 2.40, 2.66 A)
&rst
ixpk= 1874, nxpk= 20, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 952, 953, 954, 956, 957, 958,
&end
#
# 62 VAL MGX 62 VAL HB 3.50 (# 1875:20 Unique 2.40, 2.66 A)
&rst
ixpk= 1875, nxpk= 20, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 952, 953, 954, 956, 957, 958,
&end
#
# 0 AMB 20-2:1877 94 GLN HG- 4.50 (# 1877:20 Single Ambig)
&rst
ixpk= 1877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1465,1466,1465,1466,
igr2=1434,1435,
&end
#
# 87 PHE HB- 0 AMB 20-1:1878 5.50 (# 1878:20 Single Ambig)
&rst
ixpk= 1878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1326,1327,
igr2=1315,1316,1315,1316,1434,1435,
&end
#
# 62 VAL HA 62 VAL HB 3.50 (# 1879:20 Unique 2.41, 2.96 A)
&rst
ixpk= 1879, nxpk= 20, iat= 948, 950, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 VAL HN 62 VAL MGX 5.50 (# 1881:20 Unique 2.56, 4.17 A)
&rst
ixpk= 1881, nxpk= 20, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 62 VAL HA 62 VAL MGX 3.50 (# 1882:20 Unique 2.41, 3.23 A)
&rst
ixpk= 1882, nxpk= 20, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 63 PRO HD+ 62 VAL MGX 3.50 (# 1883:20 Unique 2.30, 4.54 A)
&rst
ixpk= 1883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 963, 964,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 62 VAL HB 62 VAL MGX 3.50 (# 1884:20 Unique 2.40, 2.66 A)
&rst
ixpk= 1884, nxpk= 20, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 0 AMB 20-2:1885 62 VAL MGX 3.50 (# 1885:20 Single Ambig)
&rst
ixpk= 1885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 905, 906, 905, 906,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 0 AMB 20-2:1886 62 VAL MGX 5.50 (# 1886:20 Single Ambig)
&rst
ixpk= 1886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 908, 909, 908, 909,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 62 VAL HB 62 VAL MGY 3.50 (# 1888:20 Unique 2.40, 2.66 A)
&rst
ixpk= 1888, nxpk= 20, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 62 VAL HN 62 VAL MGY 4.50 (# 1889:20 Unique 2.56, 4.17 A)
&rst
ixpk= 1889, nxpk= 20, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 62 VAL HA 62 VAL MGY 4.50 (# 1890:20 Unique 2.41, 3.23 A)
&rst
ixpk= 1890, nxpk= 20, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 51 VAL HN 62 VAL MGY 4.50 (# 1891:20 Unique 3.10, 5.50 A)
&rst
ixpk= 1891, nxpk= 20, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 63 PRO HD+ 62 VAL MGY 4.50 (# 1893:20 Unique 2.30, 4.54 A)
&rst
ixpk= 1893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 963, 964,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 63 PRO HA 63 PRO HB+ 4.50 (# 1894:20 Unique 2.29, 2.59 A)
&rst
ixpk= 1894, nxpk= 20, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 969, 970,
&end
#
# 63 PRO HD+ 63 PRO HB+ 3.50 (# 1895:20 Unique 2.77, 3.67 A)
&rst
ixpk= 1895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 963, 964,
igr2= 969, 970,
&end
#
# 0 AMB 20-2:1899 0 AMB 20-1:1899 3.50 (# 1899:20 Double Ambig)
&rst
ixpk= 1899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1315,1316,1315,1316, 950,
igr2=1309,1310,1309,1310, 963, 964,
&end
#
# 64 LEU HA 64 LEU HB+ 4.50 (# 1901:20 Unique 2.33, 2.74 A)
&rst
ixpk= 1901, nxpk= 20, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 980, 981,
&end
#
# 0 AMB 20-2:1902 64 LEU HB- 4.50 (# 1902:20 Single Ambig)
&rst
ixpk= 1902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 995, 976,
igr2= 980, 981,
&end
#
# 65 GLN HN 64 LEU MDX 4.50 (# 1903:20 Unique 2.62, 5.14 A)
&rst
ixpk= 1903, nxpk= 20, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 985, 986, 987, 989, 990, 991,
&end
#
# 64 LEU HB+ 64 LEU MDY 3.50 (# 1905:20 Unique 2.34, 3.40 A)
&rst
ixpk= 1905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 980, 981,
igr2= 985, 986, 987, 989, 990, 991,
&end
#
# 0 AMB 20-2:1906 64 LEU MDY 3.50 (# 1906:20 Single Ambig)
&rst
ixpk= 1906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 983, 450, 451,
igr2= 985, 986, 987, 989, 990, 991,
&end
#
# 0 AMB 20-2:1907 64 LEU MDY 3.50 (# 1907:20 Single Ambig)
&rst
ixpk= 1907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 980, 981, 450, 451,
igr2= 985, 986, 987, 989, 990, 991,
&end
#
# 66 GLU HB+ 64 LEU MDY 4.50 (# 1908:20 Unique 2.39, 6.97 A)
&rst
ixpk= 1908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1016,1017,
igr2= 985, 986, 987, 989, 990, 991,
&end
#
# 0 AMB 20-2:1909 64 LEU MDY 5.50 (# 1909:20 Single Ambig)
&rst
ixpk= 1909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 447, 448, 999,1000,
igr2= 985, 986, 987, 989, 990, 991,
&end
#
# 0 AMB 20-2:1910 64 LEU MDY 4.50 (# 1910:20 Single Ambig)
&rst
ixpk= 1910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1019,1020,1019,1020,
igr2= 985, 986, 987, 989, 990, 991,
&end
#
# 64 LEU HA 64 LEU MDY 4.50 (# 1911:20 Unique 2.22, 3.90 A)
&rst
ixpk= 1911, nxpk= 20, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 985, 986, 987, 989, 990, 991,
&end
#
# 65 GLN HN 64 LEU MDY 5.50 (# 1912:20 Unique 2.62, 5.14 A)
&rst
ixpk= 1912, nxpk= 20, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 985, 986, 987, 989, 990, 991,
&end
#
# 65 GLN HN 65 GLN HG+ 4.50 (# 1913:20 Unique 2.24, 3.71 A)
&rst
ixpk= 1913, nxpk= 20, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1002,1003,
&end
#
# 67 ASP HA 66 GLU HA 5.50 (# 1915:20 Unique 4.27, 4.53 A)
&rst
ixpk= 1915, nxpk= 20, iat=1029,1014, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:1916 0 AMB 20-1:1916 2.80 (# 1916:20 Double Ambig)
&rst
ixpk= 1916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1075,1076,1075,1076,
igr2=1078,1079,1078,1079,
&end
#
# 65 GLN HA 68 ALA MB 4.50 (# 1918:20 Unique 2.32, 4.06 A)
&rst
ixpk= 1918, nxpk= 20, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1043,1044,1045,
&end
#
# 67 ASP HA 69 ALA HA 5.50 (# 1919:20 Unique 5.08, 5.47 A)
&rst
ixpk= 1919, nxpk= 20, iat=1029,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 ASP HB+ 69 ALA HA 5.50 (# 1920:20 Unique 4.13, 5.09 A)
&rst
ixpk= 1920, nxpk= 20, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1063,1064,
&end
#
# 0 AMB 20-2:1921 69 ALA MB 3.50 (# 1921:20 Single Ambig)
&rst
ixpk= 1921, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1059,1049,
igr2=1053,1054,1055,
&end
#
# 0 AMB 20-2:1922 69 ALA MB 3.50 (# 1922:20 Single Ambig)
&rst
ixpk= 1922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1051,1088,
igr2=1053,1054,1055,
&end
#
# 0 AMB 20-2:1923 0 AMB 20-1:1923 3.50 (# 1923:20 Double Ambig)
&rst
ixpk= 1923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 999,1000,1016,1017,1075,1076,
igr2=1073,1014,
&end
#
# 0 AMB 20-2:1924 0 AMB 20-1:1924 3.50 (# 1924:20 Double Ambig)
&rst
ixpk= 1924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 999,1000,1016,1017,
igr2=1073,1014,
&end
#
# 0 AMB 20-2:1925 0 AMB 20-1:1925 3.50 (# 1925:20 Double Ambig)
&rst
ixpk= 1925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1002,1003,1078,1079,1078,1079,1019,1020,1019,1020,
igr2=1073,1014,
&end
#
# 72 SER HN 71 GLU HA 3.50 (# 1926:20 Unique 2.14, 2.72 A)
&rst
ixpk= 1926, nxpk= 20, iat=1086,1073, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 GLU HN 0 AMB 20-1:1927 4.50 (# 1927:20 Single Ambig)
&rst
ixpk= 1927, nxpk= 20, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1078,1079,1078,1079,
&end
#
# 72 SER HB+ 72 SER HA 3.50 (# 1928:20 Unique 2.36, 2.50 A)
&rst
ixpk= 1928, nxpk= 20, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1090,1091,
&end
#
# 72 SER HN 72 SER HB+ 4.50 (# 1929:20 Unique 2.45, 3.21 A)
&rst
ixpk= 1929, nxpk= 20, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1090,1091,
&end
#
# 72 SER HN 72 SER HB- 4.50 (# 1930:20 Unique 2.45, 3.21 A)
&rst
ixpk= 1930, nxpk= 20, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1090,1091,
&end
#
# 73 GLN HN 73 GLN HA 4.50 (# 1931:20 Unique 2.80, 2.88 A)
&rst
ixpk= 1931, nxpk= 20, iat=1097,1099, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 ASN HN 73 GLN HA 3.50 (# 1932:20 Unique 2.09, 2.21 A)
&rst
ixpk= 1932, nxpk= 20, iat=1114,1099, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 GLN HG- 73 GLN HA 4.50 (# 1933:20 Unique 3.66, 3.92 A)
&rst
ixpk= 1933, nxpk= 20, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1104,1105,
&end
#
# 64 LEU HB- 64 LEU HA 2.80 (# 1935:20 Unique 2.33, 2.74 A)
&rst
ixpk= 1935, nxpk= 20, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 980, 981,
&end
#
# 79 GLU HG+ 79 GLU HA 3.50 (# 1939:20 Unique 2.45, 3.50 A)
&rst
ixpk= 1939, nxpk= 20, iat= -1,1193, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1198,1199,
&end
#
# 92 SER HB- 88 LYS HD- 4.50 (# 1940:20 Unique 3.77, 5.90 A)
&rst
ixpk= 1940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1406,1407,
igr2=1352,1353,
&end
#
# 9 ALA HA 79 GLU HG+ 5.50 (# 1941:20 Unique 2.17, 3.83 A)
&rst
ixpk= 1941, nxpk= 20, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1198,1199,
&end
#
# 79 GLU HN 79 GLU HG- 6.50 (# 1942:20 Unique 2.36, 3.83 A)
&rst
ixpk= 1942, nxpk= 20, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1198,1199,
&end
#
# 79 GLU HN 79 GLU HG+ 6.50 (# 1943:20 Unique 2.36, 3.83 A)
&rst
ixpk= 1943, nxpk= 20, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1198,1199,
&end
#
# 0 AMB 20-2:1944 80 LEU HG 4.50 (# 1944:20 Single Ambig)
&rst
ixpk= 1944, nxpk= 20, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 188,1748,
&end
#
# 80 LEU HN 80 LEU HG 6.50 (# 1945:20 Unique 2.75, 3.48 A)
&rst
ixpk= 1945, nxpk= 20, iat=1206,1213, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 16 THR HB 80 LEU HG 5.50 (# 1946:20 Unique 3.19, 4.65 A)
&rst
ixpk= 1946, nxpk= 20, iat= 241,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ALA HA 80 LEU HG 5.50 (# 1947:20 Unique 2.94, 3.99 A)
&rst
ixpk= 1947, nxpk= 20, iat= 190,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ASP HB+ 80 LEU HG 4.50 (# 1948:20 Unique 2.13, 3.11 A)
&rst
ixpk= 1948, nxpk= 20, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1168,1169,
&end
#
# 0 AMB 20-2:1949 80 LEU HG 3.50 (# 1949:20 Single Ambig)
&rst
ixpk= 1949, nxpk= 20, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1210,1211, 168, 169,
&end
#
# 80 LEU HB+ 80 LEU HG 3.50 (# 1952:20 Unique 2.30, 2.65 A)
&rst
ixpk= 1952, nxpk= 20, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1210,1211,
&end
#
# 80 LEU MDX 80 LEU HG 2.80 (# 1953:20 Unique 2.36, 2.65 A)
&rst
ixpk= 1953, nxpk= 20, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1215,1216,1217,1219,1220,1221,
&end
#
# 82 ILE QD1 80 LEU HG 5.50 (# 1954:20 Unique 4.04, 5.15 A)
&rst
ixpk= 1954, nxpk= 20, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1249,1250,1251,
&end
#
# 17 ALA HA 124 LEU MDX 4.50 (# 1956:20 Unique 2.33, 4.12 A)
&rst
ixpk= 1956, nxpk= 20, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1876,1877,1878,1880,1881,1882,
&end
#
# 82 ILE HN 81 SER HA 6.50 (# 1957:20 Unique 2.15, 2.22 A)
&rst
ixpk= 1957, nxpk= 20, iat=1236,1227, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 0 AMB 20-2:1958 81 SER HA 5.50 (# 1958:20 Single Ambig)
&rst
ixpk= 1958, nxpk= 20, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1229,1230,1229,1230,
&end
#
# 113 ALA HN 0 AMB 20-1:1959 5.50 (# 1959:20 Single Ambig)
&rst
ixpk= 1959, nxpk= 20, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1229,1230,1229,1230,
&end
#
# 81 SER HN 0 AMB 20-1:1960 3.50 (# 1960:20 Single Ambig)
&rst
ixpk= 1960, nxpk= 20, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1229,1230,1229,1230,
&end
#
# 82 ILE HN 0 AMB 20-1:1961 4.50 (# 1961:20 Single Ambig)
&rst
ixpk= 1961, nxpk= 20, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1229,1230,1229,1230,
&end
#
# 80 LEU HA 0 AMB 20-1:1962 5.50 (# 1962:20 Single Ambig)
&rst
ixpk= 1962, nxpk= 20, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1229,1230,1229,1230,
&end
#
# 81 SER HA 0 AMB 20-1:1963 3.50 (# 1963:20 Single Ambig)
&rst
ixpk= 1963, nxpk= 20, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1229,1230,1229,1230,
&end
#
# 0 AMB 20-2:1964 0 AMB 20-1:1964 5.50 (# 1964:20 Double Ambig)
&rst
ixpk= 1964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1736, 674,
igr2=1229,1230,1229,1230,1229,1230,
&end
#
# 0 AMB 20-2:1965 0 AMB 20-1:1965 3.50 (# 1965:20 Double Ambig)
&rst
ixpk= 1965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1750, 665, 666,
igr2=1229,1230,1229,1230,
&end
#
# 113 ALA MB 0 AMB 20-1:1966 3.50 (# 1966:20 Single Ambig)
&rst
ixpk= 1966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1728,1729,1730,
igr2=1229,1230,1229,1230,
&end
#
# 115 ALA MB 0 AMB 20-1:1967 3.50 (# 1967:20 Single Ambig)
&rst
ixpk= 1967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1752,1753,1754,
igr2=1229,1230,1229,1230,
&end
#
# 0 AMB 20-2:1969 82 ILE QD1 5.50 (# 1969:20 Single Ambig)
&rst
ixpk= 1969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 255, 256, 257,1838,1839,1874,
igr2=1249,1250,1251,
&end
#
# 84 LEU HN 83 HIS HB+ 6.50 (# 1970:20 Unique 2.68, 3.74 A)
&rst
ixpk= 1970, nxpk= 20, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1259,1260,
&end
#
# 83 HIS HN 83 HIS HB- 4.50 (# 1971:20 Unique 2.59, 3.30 A)
&rst
ixpk= 1971, nxpk= 20, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1259,1260,
&end
#
# 111 LEU HB- 83 HIS HB+ 4.50 (# 1974:20 Unique 2.17, 3.83 A)
&rst
ixpk= 1974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1692,1693,
igr2=1259,1260,
&end
#
# 111 LEU HB- 83 HIS HB- 4.50 (# 1975:20 Unique 2.17, 3.83 A)
&rst
ixpk= 1975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1692,1693,
igr2=1259,1260,
&end
#
# 111 LEU MDY 83 HIS HB+ 4.50 (# 1976:20 Unique 2.54, 5.15 A)
&rst
ixpk= 1976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1697,1698,1699,1701,1702,1703,
igr2=1259,1260,
&end
#
# 111 LEU MDY 83 HIS HB- 4.50 (# 1977:20 Unique 2.54, 5.15 A)
&rst
ixpk= 1977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1697,1698,1699,1701,1702,1703,
igr2=1259,1260,
&end
#
# 84 LEU HN 84 LEU MDX 4.50 (# 1978:20 Unique 2.64, 5.13 A)
&rst
ixpk= 1978, nxpk= 20, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 84 LEU HN 84 LEU MDY 5.50 (# 1979:20 Unique 2.64, 5.13 A)
&rst
ixpk= 1979, nxpk= 20, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 108 PHE HD 84 LEU MDY 5.50 (# 1980:20 Unique 2.31, 5.23 A)
&rst
ixpk= 1980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1646,1654,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 42 PHE HD 84 LEU MDY 4.50 (# 1981:20 Unique 2.41, 5.05 A)
&rst
ixpk= 1981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 626, 634,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 87 PHE HZ 84 LEU MDY 6.50 (# 1982:20 Unique 3.56, 7.99 A)
&rst
ixpk= 1982, nxpk= 20, iat=1334, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 0 AMB 20-2:1983 84 LEU MDY 4.50 (# 1983:20 Single Ambig)
&rst
ixpk= 1983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 620, 603,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 84 LEU HA 84 LEU MDY 4.50 (# 1984:20 Unique 2.18, 3.80 A)
&rst
ixpk= 1984, nxpk= 20, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 42 PHE HB- 84 LEU MDY 4.50 (# 1985:20 Unique 2.21, 4.42 A)
&rst
ixpk= 1985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 622, 623,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 0 AMB 20-2:1986 84 LEU MDY 4.50 (# 1986:20 Single Ambig)
&rst
ixpk= 1986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 622, 623,1465,1466,1465,1466,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 85 GLN HN 0 AMB 20-1:1988 4.50 (# 1988:20 Single Ambig)
&rst
ixpk= 1988, nxpk= 20, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1298,1299,1298,1299,
&end
#
# 85 GLN HE2- 0 AMB 20-1:1989 4.50 (# 1989:20 Single Ambig)
&rst
ixpk= 1989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1303,1304,
igr2=1298,1299,1298,1299,
&end
#
# 85 GLN HA 0 AMB 20-1:1990 3.50 (# 1990:20 Single Ambig)
&rst
ixpk= 1990, nxpk= 20, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1298,1299,1298,1299,
&end
#
# 86 PRO HA 0 AMB 20-1:1991 6.50 (# 1991:20 Single Ambig)
&rst
ixpk= 1991, nxpk= 20, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr2=1298,1299,1298,1299,
&end
#
# 88 LYS HN 88 LYS HB- 4.50 (# 1994:20 Unique 2.36, 3.11 A)
&rst
ixpk= 1994, nxpk= 20, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1346,1347,
&end
#
# 88 LYS HN 88 LYS HB+ 4.50 (# 1995:20 Unique 2.36, 3.11 A)
&rst
ixpk= 1995, nxpk= 20, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1346,1347,
&end
#
# 88 LYS HA 88 LYS HB+ 4.50 (# 1996:20 Unique 2.26, 2.43 A)
&rst
ixpk= 1996, nxpk= 20, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1346,1347,
&end
#
# 88 LYS HA 88 LYS HB- 3.50 (# 1997:20 Unique 2.26, 2.43 A)
&rst
ixpk= 1997, nxpk= 20, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1346,1347,
&end
#
# 88 LYS HN 88 LYS HG+ 5.50 (# 1999:20 Unique 1.93, 3.09 A)
&rst
ixpk= 1999, nxpk= 20, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1349,1350,
&end
#
# 88 LYS HN 88 LYS HG- 5.50 (# 2000:20 Unique 1.93, 3.09 A)
&rst
ixpk= 2000, nxpk= 20, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1349,1350,
&end
#
# 88 LYS HA 88 LYS HG+ 4.50 (# 2001:20 Unique 2.67, 3.85 A)
&rst
ixpk= 2001, nxpk= 20, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1349,1350,
&end
#
# 88 LYS HA 88 LYS HG- 4.50 (# 2002:20 Unique 2.67, 3.85 A)
&rst
ixpk= 2002, nxpk= 20, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1349,1350,
&end
#
# 0 AMB 20-2:2003 0 AMB 20-1:2003 4.50 (# 2003:20 Double Ambig)
&rst
ixpk= 2003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1355,1356,1355,1356,
igr2=1349,1350,1349,1350,
&end
#
# 0 AMB 20-2:2004 88 LYS HG- 4.50 (# 2004:20 Single Ambig)
&rst
ixpk= 2004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1355,1356,1355,1356,
igr2=1349,1350,
&end
#
# 96 GLN HE2- 89 PRO HA 4.50 (# 2005:20 Unique 3.03, 4.18 A)
&rst
ixpk= 2005, nxpk= 20, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1470,1471,
&end
#
# 85 GLN HA 85 GLN HB- 3.50 (# 2006:20 Unique 2.19, 2.72 A)
&rst
ixpk= 2006, nxpk= 20, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1295,1296,
&end
#
# 89 PRO HD+ 89 PRO HB+ 3.50 (# 2007:20 Unique 2.81, 3.71 A)
&rst
ixpk= 2007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1365,1366,
igr2=1371,1372,
&end
#
# 105 ILE HB 0 AMB 20-1:2008 3.50 (# 2008:20 Single Ambig)
&rst
ixpk= 2008, nxpk= 20, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1601,1602,1601,1602,
&end
#
# 100 LEU HA 37 PRO HG+ 4.50 (# 2009:20 Unique 2.29, 3.54 A)
&rst
ixpk= 2009, nxpk= 20, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 549, 550,
&end
#
# 0 AMB 20-2:2010 0 AMB 20-1:2010 4.50 (# 2010:20 Double Ambig)
&rst
ixpk= 2010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1593, 555,
igr2=1601,1602,1601,1602, 549, 550,
&end
#
# 88 LYS HA 89 PRO HD- 3.50 (# 2011:20 Unique 2.12, 2.38 A)
&rst
ixpk= 2011, nxpk= 20, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1365,1366,
&end
#
# 88 LYS HA 89 PRO HD+ 3.50 (# 2012:20 Unique 2.12, 2.38 A)
&rst
ixpk= 2012, nxpk= 20, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1365,1366,
&end
#
# 89 PRO HA 89 PRO HD- 3.50 (# 2013:20 Unique 3.54, 3.88 A)
&rst
ixpk= 2013, nxpk= 20, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1365,1366,
&end
#
# 92 SER HN 92 SER HA 4.50 (# 2017:20 Unique 2.86, 2.94 A)
&rst
ixpk= 2017, nxpk= 20, iat=1402,1404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 92 SER HB- 92 SER HA 3.50 (# 2019:20 Unique 2.41, 2.70 A)
&rst
ixpk= 2019, nxpk= 20, iat= -1,1404, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1406,1407,
&end
#
# 93 ASN HA 93 ASN HB- 4.50 (# 2020:20 Unique 2.38, 2.72 A)
&rst
ixpk= 2020, nxpk= 20, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1417,1418,
&end
#
# 95 PRO HD+ 94 GLN HA 4.50 (# 2023:20 Unique 2.38, 2.54 A)
&rst
ixpk= 2023, nxpk= 20, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1445,1446,
&end
#
# 94 GLN HA 94 GLN HG+ 4.50 (# 2027:20 Unique 3.70, 3.83 A)
&rst
ixpk= 2027, nxpk= 20, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1434,1435,
&end
#
# 94 GLN HE2- 94 GLN HG- 4.50 (# 2028:20 Unique 2.23, 3.37 A)
&rst
ixpk= 2028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1439,1440,
igr2=1434,1435,
&end
#
# 94 GLN HE2+ 94 GLN HG+ 4.50 (# 2030:20 Unique 2.23, 3.37 A)
&rst
ixpk= 2030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1439,1440,
igr2=1434,1435,
&end
#
# 95 PRO HB- 95 PRO HA 4.50 (# 2031:20 Unique 2.28, 2.52 A)
&rst
ixpk= 2031, nxpk= 20, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1451,1452,
&end
#
# 95 PRO HB+ 95 PRO HA 4.50 (# 2032:20 Unique 2.28, 2.52 A)
&rst
ixpk= 2032, nxpk= 20, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1451,1452,
&end
#
# 41 HIS HB- 95 PRO HA 4.50 (# 2033:20 Unique 2.16, 3.12 A)
&rst
ixpk= 2033, nxpk= 20, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 605, 606,
&end
#
# 41 HIS HB+ 95 PRO HA 4.50 (# 2034:20 Unique 2.16, 3.12 A)
&rst
ixpk= 2034, nxpk= 20, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 605, 606,
&end
#
# 41 HIS HA 95 PRO HA 4.50 (# 2035:20 Unique 1.95, 2.30 A)
&rst
ixpk= 2035, nxpk= 20, iat= 603,1454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2036 95 PRO HA 4.50 (# 2036:20 Single Ambig)
&rst
ixpk= 2036, nxpk= 20, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 582, 618,
&end
#
# 0 AMB 20-2:2038 0 AMB 20-1:2038 4.50 (# 2038:20 Double Ambig)
&rst
ixpk= 2038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1462,1463,1462,1463,
igr2=1465,1466,1465,1466,
&end
#
# 96 GLN HB- 0 AMB 20-1:2039 5.50 (# 2039:20 Single Ambig)
&rst
ixpk= 2039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1462,1463,
igr2=1465,1466,1465,1466,
&end
#
# 96 GLN HA 96 GLN HG+ 4.50 (# 2040:20 Unique 2.31, 3.03 A)
&rst
ixpk= 2040, nxpk= 20, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1465,1466,
&end
#
# 0 AMB 20-2:2042 97 VAL MGY 3.50 (# 2042:20 Single Ambig)
&rst
ixpk= 2042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 628, 632,1334,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 99 ILE HN 98 VAL HA 4.50 (# 2043:20 Unique 2.04, 2.12 A)
&rst
ixpk= 2043, nxpk= 20, iat=1507,1493, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 VAL MGX 98 VAL HA 4.50 (# 2044:20 Unique 3.74, 5.73 A)
&rst
ixpk= 2044, nxpk= 20, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 125 VAL MGX 125 VAL HB 2.80 (# 2046:20 Unique 2.42, 2.66 A)
&rst
ixpk= 2046, nxpk= 20, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1892,1893,1894,1896,1897,1898,
&end
#
# 126 CYS HN 125 VAL MGX 4.50 (# 2047:20 Unique 2.67, 4.16 A)
&rst
ixpk= 2047, nxpk= 20, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 125 VAL HA 125 VAL MGX 3.50 (# 2048:20 Unique 2.43, 3.16 A)
&rst
ixpk= 2048, nxpk= 20, iat=1888, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 0 AMB 20-2:2049 125 VAL MGX 4.50 (# 2049:20 Single Ambig)
&rst
ixpk= 2049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1662,1663,1662,1663,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 125 VAL HN 125 VAL MGX 4.50 (# 2050:20 Unique 2.69, 4.35 A)
&rst
ixpk= 2050, nxpk= 20, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 99 ILE HN 98 VAL MGY 4.50 (# 2051:20 Unique 2.47, 3.93 A)
&rst
ixpk= 2051, nxpk= 20, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1497,1498,1499,1501,1502,1503,
&end
#
# 98 VAL HN 98 VAL MGY 4.50 (# 2052:20 Unique 3.08, 4.36 A)
&rst
ixpk= 2052, nxpk= 20, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1497,1498,1499,1501,1502,1503,
&end
#
# 105 ILE QG2 99 ILE HG1+ 4.50 (# 2053:20 Unique 2.16, 3.98 A)
&rst
ixpk= 2053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1597,1598,1599,
igr2=1517,1518,
&end
#
# 98 VAL HA 99 ILE QD1 4.50 (# 2054:20 Unique 2.33, 3.52 A)
&rst
ixpk= 2054, nxpk= 20, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1520,1521,1522,
&end
#
# 24 LEU HA 99 ILE QD1 5.50 (# 2055:20 Unique 3.78, 5.04 A)
&rst
ixpk= 2055, nxpk= 20, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1520,1521,1522,
&end
#
# 0 AMB 20-2:2057 99 ILE QD1 5.50 (# 2057:20 Single Ambig)
&rst
ixpk= 2057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 552, 553, 447, 448,
igr2=1520,1521,1522,
&end
#
# 0 AMB 20-2:2058 0 AMB 20-1:2058 3.50 (# 2058:20 Double Ambig)
&rst
ixpk= 2058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 425, 426, 427,1822,
igr2=1513,1514,1515,1824,1825,1826,1828,1829,1830,
&end
#
# 100 LEU MDX 100 LEU HA 4.50 (# 2059:20 Unique 2.36, 3.71 A)
&rst
ixpk= 2059, nxpk= 20, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1535,1536,1537,1539,1540,1541,
&end
#
# 101 ALA HN 100 LEU HA 4.50 (# 2060:20 Unique 2.26, 2.34 A)
&rst
ixpk= 2060, nxpk= 20, iat=1545,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 LEU HN 100 LEU HB+ 4.50 (# 2061:20 Unique 2.30, 3.11 A)
&rst
ixpk= 2061, nxpk= 20, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1530,1531,
&end
#
# 101 ALA HN 100 LEU HB- 4.50 (# 2062:20 Unique 2.28, 3.01 A)
&rst
ixpk= 2062, nxpk= 20, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1530,1531,
&end
#
# 100 LEU HA 100 LEU HB- 4.50 (# 2063:20 Unique 2.38, 2.74 A)
&rst
ixpk= 2063, nxpk= 20, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1530,1531,
&end
#
# 100 LEU HA 100 LEU HB+ 4.50 (# 2064:20 Unique 2.38, 2.74 A)
&rst
ixpk= 2064, nxpk= 20, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1530,1531,
&end
#
# 105 ILE QD1 100 LEU HB- 5.50 (# 2066:20 Unique 4.59, 6.72 A)
&rst
ixpk= 2066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1604,1605,1606,
igr2=1530,1531,
&end
#
# 100 LEU HN 100 LEU MDX 4.50 (# 2067:20 Unique 2.44, 4.21 A)
&rst
ixpk= 2067, nxpk= 20, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 100 LEU HA 100 LEU MDX 3.50 (# 2068:20 Unique 2.36, 3.71 A)
&rst
ixpk= 2068, nxpk= 20, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 37 PRO HB- 100 LEU MDX 3.50 (# 2069:20 Unique 2.33, 5.15 A)
&rst
ixpk= 2069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 552, 553,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 100 LEU HB- 100 LEU MDX 3.50 (# 2070:20 Unique 2.38, 3.45 A)
&rst
ixpk= 2070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1530,1531,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 102 ASP HN 101 ALA HA 4.50 (# 2072:20 Unique 3.44, 3.49 A)
&rst
ixpk= 2072, nxpk= 20, iat=1555,1547, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 102 ASP HN 102 ASP HA 4.50 (# 2075:20 Unique 2.92, 2.95 A)
&rst
ixpk= 2075, nxpk= 20, iat=1555,1557, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 102 ASP HB- 102 ASP HA 3.50 (# 2076:20 Unique 2.31, 2.64 A)
&rst
ixpk= 2076, nxpk= 20, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1559,1560,
&end
#
# 102 ASP HB+ 102 ASP HA 4.50 (# 2077:20 Unique 2.31, 2.64 A)
&rst
ixpk= 2077, nxpk= 20, iat= -1,1557, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1559,1560,
&end
#
# 100 LEU HB+ 104 GLN HB- 4.50 (# 2079:20 Unique 2.10, 3.89 A)
&rst
ixpk= 2079, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1530,1531,
igr2=1578,1579,
&end
#
# 0 AMB 20-2:2080 105 ILE HA 4.50 (# 2080:20 Single Ambig)
&rst
ixpk= 2080, nxpk= 20, iat= -1,1593, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1604,1605,1606,1533,
&end
#
# 79 GLU HB+ 115 ALA MB 4.50 (# 2081:20 Unique 3.17, 5.28 A)
&rst
ixpk= 2081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1195,1196,
igr2=1752,1753,1754,
&end
#
# 0 AMB 20-2:2082 105 ILE QG2 4.50 (# 2082:20 Single Ambig)
&rst
ixpk= 2082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1601,1602,1601,1602,
igr2=1597,1598,1599,
&end
#
# 105 ILE HA 105 ILE QG2 4.50 (# 2083:20 Unique 2.31, 3.03 A)
&rst
ixpk= 2083, nxpk= 20, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1597,1598,1599,
&end
#
# 106 THR HN 105 ILE QG2 4.50 (# 2084:20 Unique 2.28, 3.15 A)
&rst
ixpk= 2084, nxpk= 20, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1597,1598,1599,
&end
#
# 81 SER HA 115 ALA MB 5.50 (# 2086:20 Unique 4.08, 5.41 A)
&rst
ixpk= 2086, nxpk= 20, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1752,1753,1754,
&end
#
# 107 PRO HA 107 PRO HG- 3.50 (# 2088:20 Unique 2.75, 3.56 A)
&rst
ixpk= 2088, nxpk= 20, iat=1634, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1628,1629,
&end
#
# 112 MET HG+ 110 LEU MDX 3.50 (# 2090:20 Unique 2.85, 4.98 A)
&rst
ixpk= 2090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1714,1715,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 113 ALA HN 112 MET HA 4.50 (# 2091:20 Unique 2.13, 2.17 A)
&rst
ixpk= 2091, nxpk= 20, iat=1724,1709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2092 111 LEU MDX 4.50 (# 2092:20 Single Ambig)
&rst
ixpk= 2092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1802,1803,1802,1803,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 112 MET HG- 0 AMB 20-1:2094 4.50 (# 2094:20 Single Ambig)
&rst
ixpk= 2094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1714,1715,
igr2=1709,1690,
&end
#
# 82 ILE QD1 112 MET HA 4.50 (# 2095:20 Unique 2.31, 3.71 A)
&rst
ixpk= 2095, nxpk= 20, iat= -1,1709, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1249,1250,1251,
&end
#
# 0 AMB 20-2:2096 0 AMB 20-1:2096 4.50 (# 2096:20 Double Ambig)
&rst
ixpk= 2096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1610,1206,
igr2=1597,1598,1599,1752,1753,1754,
&end
#
# 0 AMB 20-2:2097 115 ALA MB 4.50 (# 2097:20 Single Ambig)
&rst
ixpk= 2097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1198,1199,1195,1196,
igr2=1752,1753,1754,
&end
#
# 0 AMB 20-2:2098 0 AMB 20-1:2098 5.50 (# 2098:20 Double Ambig)
&rst
ixpk= 2098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=1180,1181,1180,1181,1578,1579,1578,1579, 114,
igr2=1752,1753,1754,1597,1598,1599,
&end
#
# 117 THR MG2 117 THR HA 3.50 (# 2099:20 Unique 2.38, 3.09 A)
&rst
ixpk= 2099, nxpk= 20, iat= -1,1767, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1771,1772,1773,
&end
#
# 119 GLU HN 119 GLU HB+ 3.50 (# 2100:20 Unique 2.31, 2.84 A)
&rst
ixpk= 2100, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1790,1791,
&end
#
# 119 GLU HN 119 GLU HB- 3.50 (# 2101:20 Unique 2.31, 2.84 A)
&rst
ixpk= 2101, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1790,1791,
&end
#
# 117 THR MG2 0 AMB 20-1:2102 5.50 (# 2102:20 Single Ambig)
&rst
ixpk= 2102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1771,1772,1773,
igr2=1793,1794,1793,1794,
&end
#
# 121 LEU HB- 120 PRO HA 5.50 (# 2104:20 Unique 3.64, 5.00 A)
&rst
ixpk= 2104, nxpk= 20, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1819,1820,
&end
#
# 120 PRO HB- 122 LEU HB- 6.50 (# 2106:20 Unique 6.27, 7.37 A)
&rst
ixpk= 2106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1808,1809,
igr2=1838,1839,
&end
#
# 120 PRO HB- 122 LEU HB+ 6.50 (# 2107:20 Unique 6.27, 7.37 A)
&rst
ixpk= 2107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1808,1809,
igr2=1838,1839,
&end
#
# 122 LEU HA 122 LEU HG 4.50 (# 2108:20 Unique 2.20, 2.53 A)
&rst
ixpk= 2108, nxpk= 20, iat=1836,1841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 THR HN 123 THR HA 4.50 (# 2109:20 Unique 2.97, 2.99 A)
&rst
ixpk= 2109, nxpk= 20, iat=1853,1855, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 LEU HN 123 THR HA 3.50 (# 2110:20 Unique 2.14, 2.19 A)
&rst
ixpk= 2110, nxpk= 20, iat=1867,1855, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 111 LEU HA 123 THR HA 3.50 (# 2111:20 Unique 2.06, 2.21 A)
&rst
ixpk= 2111, nxpk= 20, iat=1690,1855, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2112 123 THR HA 4.50 (# 2112:20 Single Ambig)
&rst
ixpk= 2112, nxpk= 20, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1692,1693,1871,1872,2075,2076,2075,2076,
&end
#
# 0 AMB 20-2:2113 123 THR HA 4.50 (# 2113:20 Single Ambig)
&rst
ixpk= 2113, nxpk= 20, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1874,1838,1839,1841,
&end
#
# 0 AMB 20-2:2114 123 THR HA 4.50 (# 2114:20 Single Ambig)
&rst
ixpk= 2114, nxpk= 20, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1871,1872,1673,1674,
&end
#
# 0 AMB 20-2:2115 123 THR HA 4.50 (# 2115:20 Single Ambig)
&rst
ixpk= 2115, nxpk= 20, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1697,1698,1699,1701,1702,1703,1843,1844,1845,1847,
1848,1849,1892,1893,1894,1896,1897,1898,
&end
#
# 123 THR MG2 123 THR HA 3.50 (# 2116:20 Unique 2.35, 3.05 A)
&rst
ixpk= 2116, nxpk= 20, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1859,1860,1861,
&end
#
# 0 AMB 20-2:2117 123 THR MG2 6.50 (# 2117:20 Single Ambig)
&rst
ixpk= 2117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1886,1853,
igr2=1859,1860,1861,
&end
#
# 124 LEU HN 124 LEU HA 5.50 (# 2118:20 Unique 2.95, 2.97 A)
&rst
ixpk= 2118, nxpk= 20, iat=1867,1869, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 LEU HN 124 LEU HG 6.50 (# 2119:20 Unique 2.78, 4.07 A)
&rst
ixpk= 2119, nxpk= 20, iat=1867,1874, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 125 VAL HN 124 LEU HG 5.50 (# 2120:20 Unique 3.49, 4.14 A)
&rst
ixpk= 2120, nxpk= 20, iat=1886,1874, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 LEU HA 124 LEU HG 5.50 (# 2121:20 Unique 2.41, 2.63 A)
&rst
ixpk= 2121, nxpk= 20, iat=1869,1874, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 PHE HE 124 LEU MDY 4.50 (# 2122:20 Unique 2.60, 6.68 A)
&rst
ixpk= 2122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 305, 309,
igr2=1876,1877,1878,1880,1881,1882,
&end
#
# 124 LEU HA 124 LEU MDY 4.50 (# 2124:20 Unique 2.26, 4.10 A)
&rst
ixpk= 2124, nxpk= 20, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1876,1877,1878,1880,1881,1882,
&end
#
# 0 AMB 20-2:2126 124 LEU MDY 3.50 (# 2126:20 Single Ambig)
&rst
ixpk= 2126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 255, 256, 257,1874,1841,1838,1839,
igr2=1876,1877,1878,1880,1881,1882,
&end
#
# 110 LEU MDX 124 LEU MDY 4.50 (# 2128:20 Unique 2.30, 5.69 A)
&rst
ixpk= 2128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1678,1679,1680,1682,1683,1684,
igr2=1876,1877,1878,1880,1881,1882,
&end
#
# 126 CYS HN 125 VAL HA 3.50 (# 2129:20 Unique 2.12, 2.17 A)
&rst
ixpk= 2129, nxpk= 20, iat=1902,1888, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 126 CYS HB+ 125 VAL HA 4.50 (# 2130:20 Unique 4.24, 4.57 A)
&rst
ixpk= 2130, nxpk= 20, iat= -1,1888, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1906,1907,
&end
#
# 126 CYS HA 126 CYS HB+ 4.50 (# 2132:20 Unique 2.37, 2.77 A)
&rst
ixpk= 2132, nxpk= 20, iat=1904, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1906,1907,
&end
#
# 114 ASN HN 120 PRO HA 4.50 (# 2133:20 Unique 3.56, 3.89 A)
&rst
ixpk= 2133, nxpk= 20, iat=1734,1811, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 SER HN 127 SER HB- 5.50 (# 2134:20 Unique 2.55, 3.20 A)
&rst
ixpk= 2134, nxpk= 20, iat=1913, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1917,1918,
&end
#
# 132 LEU HN 131 PRO HA 4.50 (# 2135:20 Unique 2.45, 2.80 A)
&rst
ixpk= 2135, nxpk= 20, iat=1980,1976, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 130 TRP HA 131 PRO HA 4.50 (# 2137:20 Unique 1.98, 2.06 A)
&rst
ixpk= 2137, nxpk= 20, iat=1944,1976, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 131 PRO HD+ 131 PRO HA 5.50 (# 2138:20 Unique 3.79, 3.94 A)
&rst
ixpk= 2138, nxpk= 20, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1967,1968,
&end
#
# 132 LEU MDY 131 PRO HA 5.50 (# 2140:20 Unique 3.46, 5.97 A)
&rst
ixpk= 2140, nxpk= 20, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1989,1990,1991,1993,1994,1995,
&end
#
# 132 LEU HN 131 PRO HB+ 5.50 (# 2141:20 Unique 2.33, 3.75 A)
&rst
ixpk= 2141, nxpk= 20, iat=1980, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1973,1974,
&end
#
# 132 LEU HN 131 PRO HB- 5.50 (# 2142:20 Unique 2.33, 3.75 A)
&rst
ixpk= 2142, nxpk= 20, iat=1980, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1973,1974,
&end
#
# 131 PRO HD+ 131 PRO HB+ 4.50 (# 2144:20 Unique 2.82, 3.72 A)
&rst
ixpk= 2144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1967,1968,
igr2=1973,1974,
&end
#
# 131 PRO HA 131 PRO HB+ 4.50 (# 2145:20 Unique 2.28, 2.54 A)
&rst
ixpk= 2145, nxpk= 20, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1973,1974,
&end
#
# 131 PRO HA 131 PRO HB- 4.50 (# 2146:20 Unique 2.28, 2.54 A)
&rst
ixpk= 2146, nxpk= 20, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1973,1974,
&end
#
# 131 PRO HG- 131 PRO HB+ 3.50 (# 2147:20 Unique 2.31, 2.61 A)
&rst
ixpk= 2147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1970,1971,
igr2=1973,1974,
&end
#
# 131 PRO HD- 131 PRO HG+ 3.50 (# 2148:20 Unique 2.30, 2.61 A)
&rst
ixpk= 2148, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1967,1968,
igr2=1970,1971,
&end
#
# 131 PRO HD- 131 PRO HG- 3.50 (# 2149:20 Unique 2.30, 2.61 A)
&rst
ixpk= 2149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1967,1968,
igr2=1970,1971,
&end
#
# 132 LEU HN 132 LEU HA 4.50 (# 2150:20 Unique 2.24, 2.59 A)
&rst
ixpk= 2150, nxpk= 20, iat=1980,1982, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 132 LEU HA 132 LEU HG 4.50 (# 2151:20 Unique 2.15, 2.38 A)
&rst
ixpk= 2151, nxpk= 20, iat=1982,1987, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 132 LEU HB+ 132 LEU HG 3.50 (# 2152:20 Unique 2.47, 2.79 A)
&rst
ixpk= 2152, nxpk= 20, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1984,1985,
&end
#
# 121 LEU HG 121 LEU MDY 3.50 (# 2154:20 Unique 2.22, 2.64 A)
&rst
ixpk= 2154, nxpk= 20, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1824,1825,1826,1828,1829,1830,
&end
#
# 121 LEU HB+ 121 LEU MDY 3.50 (# 2155:20 Unique 2.22, 3.51 A)
&rst
ixpk= 2155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1819,1820,
igr2=1824,1825,1826,1828,1829,1830,
&end
#
# 13 ALA MB 121 LEU MDY 3.50 (# 2156:20 Unique 2.36, 4.99 A)
&rst
ixpk= 2156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 192, 193, 194,
igr2=1824,1825,1826,1828,1829,1830,
&end
#
# 122 LEU HB- 121 LEU MDY 3.50 (# 2157:20 Unique 2.26, 6.14 A)
&rst
ixpk= 2157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1838,1839,
igr2=1824,1825,1826,1828,1829,1830,
&end
#
# 121 LEU HA 121 LEU MDY 3.50 (# 2158:20 Unique 2.21, 3.61 A)
&rst
ixpk= 2158, nxpk= 20, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1824,1825,1826,1828,1829,1830,
&end
#
# 0 AMB 20-2:2159 121 LEU MDY 4.50 (# 2159:20 Single Ambig)
&rst
ixpk= 2159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1793,1794,1793,1794,
igr2=1824,1825,1826,1828,1829,1830,
&end
#
# 0 AMB 20-2:2160 121 LEU MDY 5.50 (# 2160:20 Single Ambig)
&rst
ixpk= 2160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1769, 154,
igr2=1824,1825,1826,1828,1829,1830,
&end
#
# 121 LEU HN 121 LEU MDY 4.50 (# 2161:20 Unique 1.96, 4.12 A)
&rst
ixpk= 2161, nxpk= 20, iat=1815, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1824,1825,1826,1828,1829,1830,
&end
#
# 114 ASN HN 121 LEU MDY 4.50 (# 2162:20 Unique 2.39, 4.21 A)
&rst
ixpk= 2162, nxpk= 20, iat=1734, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1824,1825,1826,1828,1829,1830,
&end
#
# 122 LEU HN 121 LEU MDY 5.50 (# 2163:20 Unique 3.14, 4.86 A)
&rst
ixpk= 2163, nxpk= 20, iat=1834, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1824,1825,1826,1828,1829,1830,
&end
#
# 10 ASN HD2- 121 LEU MDY 5.50 (# 2164:20 Unique 1.93, 5.11 A)
&rst
ixpk= 2164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 145, 146,
igr2=1824,1825,1826,1828,1829,1830,
&end
#
# 10 ASN HD2+ 121 LEU MDY 5.50 (# 2165:20 Unique 1.93, 5.11 A)
&rst
ixpk= 2165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 145, 146,
igr2=1824,1825,1826,1828,1829,1830,
&end
#
# 113 ALA HA 121 LEU MDY 5.50 (# 2166:20 Unique 2.09, 4.68 A)
&rst
ixpk= 2166, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1824,1825,1826,1828,1829,1830,
&end
#
# 10 ASN HA 121 LEU MDY 4.50 (# 2167:20 Unique 2.00, 3.98 A)
&rst
ixpk= 2167, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1824,1825,1826,1828,1829,1830,
&end
#
# 10 ASN HB- 121 LEU MDY 4.50 (# 2168:20 Unique 2.28, 5.14 A)
&rst
ixpk= 2168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 140, 141,
igr2=1824,1825,1826,1828,1829,1830,
&end
#
# 114 ASN HB+ 121 LEU MDY 4.50 (# 2169:20 Unique 2.07, 4.24 A)
&rst
ixpk= 2169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1738,1739,
igr2=1824,1825,1826,1828,1829,1830,
&end
#
# 108 PHE HA 132 LEU MDY 5.50 (# 2170:20 Unique 6.28, 7.96 A)
&rst
ixpk= 2170, nxpk= 20, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 132 LEU HA 132 LEU MDY 3.50 (# 2171:20 Unique 2.87, 4.16 A)
&rst
ixpk= 2171, nxpk= 20, iat=1982, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 0 AMB 20-2:2173 132 LEU MDY 3.50 (# 2173:20 Single Ambig)
&rst
ixpk= 2173, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1906,1907,1601,1602,1601,1602,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 0 AMB 20-2:2174 132 LEU MDY 2.80 (# 2174:20 Single Ambig)
&rst
ixpk= 2174, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1987,1874,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 132 LEU HB+ 132 LEU MDY 3.50 (# 2175:20 Unique 2.26, 3.30 A)
&rst
ixpk= 2175, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1984,1985,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 108 PHE HE 132 LEU MDY 4.50 (# 2176:20 Unique 2.32, 4.38 A)
&rst
ixpk= 2176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1648,1652,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 132 LEU HN 132 LEU MDY 5.50 (# 2178:20 Unique 2.52, 4.56 A)
&rst
ixpk= 2178, nxpk= 20, iat=1980, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 125 VAL HN 132 LEU MDY 5.50 (# 2179:20 Unique 2.77, 5.11 A)
&rst
ixpk= 2179, nxpk= 20, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 124 LEU MDX 134 GLN HB+ 3.50 (# 2180:20 Unique 2.28, 5.49 A)
&rst
ixpk= 2180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1876,1877,1878,1880,1881,1882,
igr2=2015,2016,
&end
#
# 124 LEU MDX 134 GLN HB- 4.50 (# 2181:20 Unique 2.28, 5.49 A)
&rst
ixpk= 2181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1876,1877,1878,1880,1881,1882,
igr2=2015,2016,
&end
#
# 135 THR HN 134 GLN HG- 5.50 (# 2182:20 Unique 2.90, 4.09 A)
&rst
ixpk= 2182, nxpk= 20, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2018,2019,
&end
#
# 122 LEU MDX 134 GLN HG- 4.50 (# 2183:20 Unique 2.18, 4.96 A)
&rst
ixpk= 2183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1843,1844,1845,1847,1848,1849,
igr2=2018,2019,
&end
#
# 122 LEU MDX 134 GLN HG+ 4.50 (# 2184:20 Unique 2.18, 4.96 A)
&rst
ixpk= 2184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1843,1844,1845,1847,1848,1849,
igr2=2018,2019,
&end
#
# 135 THR HN 135 THR MG2 4.50 (# 2185:20 Unique 2.40, 3.41 A)
&rst
ixpk= 2185, nxpk= 20, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2034,2035,2036,
&end
#
# 135 THR HA 135 THR MG2 3.50 (# 2186:20 Unique 3.68, 3.96 A)
&rst
ixpk= 2186, nxpk= 20, iat=2030, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2034,2035,2036,
&end
#
# 137 ALA HA 135 THR MG2 4.50 (# 2187:20 Unique 4.76, 5.74 A)
&rst
ixpk= 2187, nxpk= 20, iat=2063, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2034,2035,2036,
&end
#
# 135 THR HB 135 THR MG2 3.50 (# 2188:20 Unique 2.38, 2.65 A)
&rst
ixpk= 2188, nxpk= 20, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2034,2035,2036,
&end
#
# 137 ALA HN 136 LEU HA 5.50 (# 2189:20 Unique 2.07, 2.14 A)
&rst
ixpk= 2189, nxpk= 20, iat=2061,2044, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 LEU HA 136 LEU MDX 3.50 (# 2192:20 Unique 2.18, 3.85 A)
&rst
ixpk= 2192, nxpk= 20, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2051,2052,2053,2055,2056,2057,
&end
#
# 122 LEU HA 136 LEU MDX 4.50 (# 2193:20 Unique 2.96, 5.73 A)
&rst
ixpk= 2193, nxpk= 20, iat=1836, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2051,2052,2053,2055,2056,2057,
&end
#
# 0 AMB 20-2:2194 136 LEU MDX 5.50 (# 2194:20 Single Ambig)
&rst
ixpk= 2194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 202, 203, 202, 203,
igr2=2051,2052,2053,2055,2056,2057,
&end
#
# 0 AMB 20-2:2195 136 LEU MDX 2.80 (# 2195:20 Single Ambig)
&rst
ixpk= 2195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2046,2047,1838,1839,
igr2=2051,2052,2053,2055,2056,2057,
&end
#
# 135 THR MG2 137 ALA HA 4.50 (# 2196:20 Unique 4.76, 5.74 A)
&rst
ixpk= 2196, nxpk= 20, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2034,2035,2036,
&end
#
# 0 AMB 20-2:2198 0 AMB 20-1:2198 4.50 (# 2198:20 Double Ambig)
&rst
ixpk= 2198, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2071, 110,
igr2=2075,2076,2075,2076, 63, 64,
&end
#
# 138 ARG HA 0 AMB 20-1:2199 3.50 (# 2199:20 Single Ambig)
&rst
ixpk= 2199, nxpk= 20, iat=2073, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2075,2076,2075,2076,
&end
#
# 0 AMB 20-2:2200 0 AMB 20-1:2200 3.50 (# 2200:20 Double Ambig)
&rst
ixpk= 2200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2081,2082,2081,2082,2081,2082,
igr2=2075,2076,2075,2076,2075,2076,
&end
#
# 138 ARG HA 0 AMB 20-1:2201 3.50 (# 2201:20 Single Ambig)
&rst
ixpk= 2201, nxpk= 20, iat=2073, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2078,2079,2078,2079,
&end
#
# 0 AMB 20-2:2202 0 AMB 20-1:2202 3.50 (# 2202:20 Double Ambig)
&rst
ixpk= 2202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2081,2082,2081,2082,2081,2082,
igr2=2078,2079,2078,2079,2078,2079,
&end
#
# 139 ASP HB- 140 THR HA 6.50 (# 2204:20 Unique 4.52, 5.28 A)
&rst
ixpk= 2204, nxpk= 20, iat= -1,2109, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=2099,2100,
&end
#
# 141 ARG HB- 140 THR HB 5.50 (# 2205:20 Unique 3.72, 5.91 A)
&rst
ixpk= 2205, nxpk= 20, iat= -1,2111, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2125,2126,
&end
#
# 40 ILE HN 97 VAL HB 4.50 (# 2209:20 Unique 2.81, 2.96 A)
&rst
ixpk= 2209, nxpk= 20, iat= 582,1479, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 ILE HN 28 ILE HG1+ 4.50 (# 2210:20 Unique 1.95, 2.99 A)
&rst
ixpk= 2210, nxpk= 20, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 422, 423,
&end
#
# 28 ILE HA 28 ILE HG1+ 4.50 (# 2211:20 Unique 2.51, 2.77 A)
&rst
ixpk= 2211, nxpk= 20, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 422, 423,
&end
#
# 28 ILE HA 28 ILE HG1- 4.50 (# 2212:20 Unique 2.51, 2.77 A)
&rst
ixpk= 2212, nxpk= 20, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 422, 423,
&end
#
# 28 ILE QD1 28 ILE HG1+ 4.50 (# 2213:20 Unique 2.30, 2.63 A)
&rst
ixpk= 2213, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 425, 426, 427,
igr2= 422, 423,
&end
#
# 28 ILE QD1 28 ILE HG1- 4.50 (# 2214:20 Unique 2.30, 2.63 A)
&rst
ixpk= 2214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 425, 426, 427,
igr2= 422, 423,
&end
#
# 45 SER HN 44 ASP HA 6.50 (# 2215:20 Unique 2.33, 3.40 A)
&rst
ixpk= 2215, nxpk= 20, iat= 661, 651, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 47 TRP HA 47 TRP HB+ 5.50 (# 2216:20 Unique 2.24, 2.48 A)
&rst
ixpk= 2216, nxpk= 20, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 686, 687,
&end
#
# 47 TRP HA 47 TRP HB- 5.50 (# 2217:20 Unique 2.24, 2.48 A)
&rst
ixpk= 2217, nxpk= 20, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 686, 687,
&end
#
# 48 ARG HA 48 ARG HB- 5.50 (# 2218:20 Unique 2.25, 2.63 A)
&rst
ixpk= 2218, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 710, 711,
&end
#
# 49 ILE HG1- 49 ILE HB 3.50 (# 2219:20 Unique 2.32, 2.48 A)
&rst
ixpk= 2219, nxpk= 20, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 740, 741,
&end
#
# 0 AMB 20-2:2220 89 PRO HB- 4.50 (# 2220:20 Single Ambig)
&rst
ixpk= 2220, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 622, 623,1465,1466,
igr2=1371,1372,
&end
#
# 56 PRO HD- 56 PRO HB- 4.50 (# 2221:20 Unique 2.79, 3.69 A)
&rst
ixpk= 2221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 840, 841,
igr2= 846, 847,
&end
#
# 56 PRO HD+ 56 PRO HB- 4.50 (# 2222:20 Unique 2.79, 3.69 A)
&rst
ixpk= 2222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 840, 841,
igr2= 846, 847,
&end
#
# 60 ARG HN 0 AMB 20-1:2224 5.50 (# 2224:20 Single Ambig)
&rst
ixpk= 2224, nxpk= 20, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 905, 906, 905, 906,
&end
#
# 60 ARG HA 0 AMB 20-1:2225 4.50 (# 2225:20 Single Ambig)
&rst
ixpk= 2225, nxpk= 20, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 905, 906, 905, 906,
&end
#
# 0 AMB 20-2:2226 0 AMB 20-1:2226 3.50 (# 2226:20 Double Ambig)
&rst
ixpk= 2226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 908, 909, 908, 909, 908, 909,
igr2= 905, 906, 905, 906, 905, 906,
&end
#
# 0 AMB 20-2:2227 0 AMB 20-1:2227 2.80 (# 2227:20 Double Ambig)
&rst
ixpk= 2227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 902, 903, 902, 903, 902, 903,
igr2= 905, 906, 905, 906, 905, 906,
&end
#
# 0 AMB 20-2:2229 0 AMB 20-1:2229 6.50 (# 2229:20 Double Ambig)
&rst
ixpk= 2229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1=1658,1255,
igr2=1298,1299,1298,1299,1298,1299,
&end
#
# 65 GLN HE2- 65 GLN HG- 4.50 (# 2230:20 Unique 2.21, 3.28 A)
&rst
ixpk= 2230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1007,1008,
igr2=1002,1003,
&end
#
# 37 PRO HG- 37 PRO HD+ 3.50 (# 2240:20 Unique 2.29, 2.60 A)
&rst
ixpk= 2240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 549, 550,
igr2= 546, 547,
&end
#
# 37 PRO HG- 37 PRO HD- 3.50 (# 2241:20 Unique 2.29, 2.60 A)
&rst
ixpk= 2241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 549, 550,
igr2= 546, 547,
&end
#
# 0 AMB 20-2:2242 0 AMB 20-1:2242 3.50 (# 2242:20 Double Ambig)
&rst
ixpk= 2242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 532, 533, 552, 553,
igr2= 546, 547, 546, 547,
&end
#
# 0 AMB 20-2:2243 37 PRO HD- 3.50 (# 2243:20 Single Ambig)
&rst
ixpk= 2243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 549, 550, 532, 533, 552, 553,
igr2= 546, 547,
&end
#
# 24 LEU HB- 24 LEU MDY 3.50 (# 2245:20 Unique 2.39, 3.28 A)
&rst
ixpk= 2245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 353, 354,
igr2= 358, 359, 360, 362, 363, 364,
&end
#
# 132 LEU HG 132 LEU MDX 2.80 (# 2247:20 Unique 2.39, 2.65 A)
&rst
ixpk= 2247, nxpk= 20, iat=1987, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 80 LEU HN 78 GLU HA 5.50 (# 2248:20 Unique 3.76, 4.22 A)
&rst
ixpk= 2248, nxpk= 20, iat=1206,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLU HN 0 AMB 20-1:2249 3.50 (# 2249:20 Single Ambig)
&rst
ixpk= 2249, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 202, 203, 202, 203,
&end
#
# 14 ARG HN 0 AMB 20-1:2250 3.50 (# 2250:20 Single Ambig)
&rst
ixpk= 2250, nxpk= 20, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 202, 203, 202, 203,
&end
#
# 14 ARG HA 0 AMB 20-1:2251 3.50 (# 2251:20 Single Ambig)
&rst
ixpk= 2251, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 202, 203, 202, 203,
&end
#
# 0 AMB 20-2:2252 0 AMB 20-1:2252 3.50 (# 2252:20 Double Ambig)
&rst
ixpk= 2252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 208, 209, 208, 209, 208, 209,
igr2= 202, 203, 202, 203, 202, 203,
&end
#
# 14 ARG HN 14 ARG HG- 4.50 (# 2253:20 Unique 2.11, 3.02 A)
&rst
ixpk= 2253, nxpk= 20, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 205, 206,
&end
#
# 14 ARG HA 14 ARG HG- 3.50 (# 2254:20 Unique 2.42, 2.85 A)
&rst
ixpk= 2254, nxpk= 20, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 205, 206,
&end
#
# 52 PRO HD+ 52 PRO HG+ 4.50 (# 2255:20 Unique 2.30, 2.60 A)
&rst
ixpk= 2255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 783, 784,
igr2= 786, 787,
&end
#
# 0 AMB 20-2:2257 0 AMB 20-1:2257 5.50 (# 2257:20 Double Ambig)
&rst
ixpk= 2257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1365,1366,1365,1366,
igr2=1352,1353,1352,1353,
&end
#
# 0 AMB 20-2:2258 0 AMB 20-1:2258 3.50 (# 2258:20 Double Ambig)
&rst
ixpk= 2258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1355,1356,1355,1356,
igr2=1352,1353,1352,1353,
&end
#
# 0 AMB 20-2:2259 88 LYS HD- 3.50 (# 2259:20 Single Ambig)
&rst
ixpk= 2259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1355,1356,1355,1356,
igr2=1352,1353,
&end
#
# 88 LYS HG- 88 LYS HB- 3.50 (# 2260:20 Unique 2.34, 2.69 A)
&rst
ixpk= 2260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1349,1350,
igr2=1346,1347,
&end
#
# 88 LYS HB- 88 LYS HG+ 3.50 (# 2262:20 Unique 2.34, 2.69 A)
&rst
ixpk= 2262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1346,1347,
igr2=1349,1350,
&end
#
# 88 LYS HB- 88 LYS HG- 3.50 (# 2263:20 Unique 2.34, 2.69 A)
&rst
ixpk= 2263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1346,1347,
igr2=1349,1350,
&end
#
# 0 AMB 20-2:2266 0 AMB 20-1:2266 3.50 (# 2266:20 Double Ambig)
&rst
ixpk= 2266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1352,1353,1352,1353,1352,1353,
igr2=1355,1356,1355,1356,1355,1356,
&end
#
# 54 LYS HB- 0 AMB 20-1:2268 3.50 (# 2268:20 Single Ambig)
&rst
ixpk= 2268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 807, 808,
igr2= 810, 811, 810, 811,
&end
#
# 79 GLU HN 77 ASP HA 6.50 (# 2269:20 Unique 3.76, 4.10 A)
&rst
ixpk= 2269, nxpk= 20, iat=1191,1166, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 94 GLN HA 95 PRO HD+ 4.50 (# 2270:20 Unique 2.38, 2.54 A)
&rst
ixpk= 2270, nxpk= 20, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1445,1446,
&end
#
# 94 GLN HA 95 PRO HD- 4.50 (# 2271:20 Unique 2.38, 2.54 A)
&rst
ixpk= 2271, nxpk= 20, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1445,1446,
&end
#
# 95 PRO HG+ 95 PRO HD+ 6.50 (# 2272:20 Unique 2.29, 2.60 A)
&rst
ixpk= 2272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1448,1449,
igr2=1445,1446,
&end
#
# 0 AMB 20-2:2273 0 AMB 20-1:2273 5.50 (# 2273:20 Double Ambig)
&rst
ixpk= 2273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1445,1446, 605, 606,
igr2=1451,1452,1451,1452,
&end
#
# 95 PRO HD- 95 PRO HB- 5.50 (# 2274:20 Unique 2.74, 3.67 A)
&rst
ixpk= 2274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1445,1446,
igr2=1451,1452,
&end
#
# 14 ARG HN 13 ALA HA 5.50 (# 2275:20 Unique 3.56, 3.59 A)
&rst
ixpk= 2275, nxpk= 20, iat= 198, 190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 LEU HG 13 ALA HA 5.50 (# 2276:20 Unique 5.37, 5.55 A)
&rst
ixpk= 2276, nxpk= 20, iat=1822, 190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 ALA HN 26 LEU HA 4.50 (# 2277:20 Unique 3.57, 3.58 A)
&rst
ixpk= 2277, nxpk= 20, iat= 402, 385, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2278 43 SER HA 6.50 (# 2278:20 Single Ambig)
&rst
ixpk= 2278, nxpk= 20, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 665, 666,1365,1366,
&end
#
# 10 ASN HD2- 10 ASN HB- 3.50 (# 2279:20 Unique 2.17, 3.29 A)
&rst
ixpk= 2279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 145, 146,
igr2= 140, 141,
&end
#
# 0 AMB 20-2:2280 0 AMB 20-1:2280 3.50 (# 2280:20 Double Ambig)
&rst
ixpk= 2280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 145, 146, 150,
igr2= 140, 141, 140, 141,
&end
#
# 0 AMB 20-2:2281 19 ARG HB- 4.50 (# 2281:20 Single Ambig)
&rst
ixpk= 2281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 281, 282, 281, 282,
igr2= 275, 276,
&end
#
# 79 GLU HN 77 ASP HB- 5.50 (# 2283:20 Unique 2.48, 3.76 A)
&rst
ixpk= 2283, nxpk= 20, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1168,1169,
&end
#
# 78 GLU HN 77 ASP HB+ 3.50 (# 2284:20 Unique 2.36, 3.55 A)
&rst
ixpk= 2284, nxpk= 20, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1168,1169,
&end
#
# 80 LEU HN 77 ASP HB+ 5.50 (# 2285:20 Unique 2.64, 4.03 A)
&rst
ixpk= 2285, nxpk= 20, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1168,1169,
&end
#
# 80 LEU MDX 0 AMB 20-1:2287 4.50 (# 2287:20 Single Ambig)
&rst
ixpk= 2287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1215,1216,1217,1219,1220,1221,
igr2=1168,1169,1168,1169,
&end
#
# 77 ASP HB+ 77 ASP HA 3.50 (# 2288:20 Unique 2.23, 2.68 A)
&rst
ixpk= 2288, nxpk= 20, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1168,1169,
&end
#
# 26 LEU HN 27 ALA MB 5.50 (# 2289:20 Unique 5.00, 5.59 A)
&rst
ixpk= 2289, nxpk= 20, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 406, 407, 408,
&end
#
# 28 ILE HN 28 ILE HG1- 4.50 (# 2290:20 Unique 1.95, 2.99 A)
&rst
ixpk= 2290, nxpk= 20, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 422, 423,
&end
#
# 0 AMB 20-2:2291 0 AMB 20-1:2291 4.50 (# 2291:20 Double Ambig)
&rst
ixpk= 2291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 477, 110,
igr2= 498, 171, 172,
&end
#
# 118 GLY HA+ 3 TYR HB+ 6.50 (# 2294:20 Unique 6.41, 8.78 A)
&rst
ixpk= 2294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1781,1782,
igr2= 35, 36,
&end
#
# 118 GLY HA+ 3 TYR HB- 6.50 (# 2295:20 Unique 6.41, 8.78 A)
&rst
ixpk= 2295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1781,1782,
igr2= 35, 36,
&end
#
# 5 ARG HN 0 AMB 20-1:2298 5.50 (# 2298:20 Single Ambig)
&rst
ixpk= 2298, nxpk= 20, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 54, 55, 54, 55,
&end
#
# 0 AMB 20-2:2299 0 AMB 20-1:2299 5.50 (# 2299:20 Double Ambig)
&rst
ixpk= 2299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 66, 67, 66, 67,
igr2= 54, 55, 54, 55,
&end
#
# 6 GLU HN 5 ARG HA 4.50 (# 2300:20 Unique 2.13, 2.53 A)
&rst
ixpk= 2300, nxpk= 20, iat= 83, 61, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 ARG HB+ 5 ARG HA 4.50 (# 2301:20 Unique 2.24, 2.50 A)
&rst
ixpk= 2301, nxpk= 20, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 63, 64,
&end
#
# 0 AMB 20-2:2305 0 AMB 20-1:2305 6.50 (# 2305:20 Double Ambig)
&rst
ixpk= 2305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.32, r4=10.82,
igr1=1743,1744,1743,1744,
igr2= 90, 91, 90, 91,
&end
#
# 7 ASP HN 7 ASP HB- 5.50 (# 2310:20 Unique 2.02, 2.76 A)
&rst
ixpk= 2310, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 102, 103,
&end
#
# 12 ARG HN 8 VAL HA 5.50 (# 2312:20 Unique 3.64, 4.02 A)
&rst
ixpk= 2312, nxpk= 20, iat= 164, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 ALA HN 8 VAL HA 4.50 (# 2313:20 Unique 3.53, 3.56 A)
&rst
ixpk= 2313, nxpk= 20, iat= 126, 112, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 VAL HN 8 VAL HA 4.50 (# 2314:20 Unique 2.27, 2.85 A)
&rst
ixpk= 2314, nxpk= 20, iat= 110, 112, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 THR HN 8 VAL HA 4.50 (# 2315:20 Unique 3.23, 3.50 A)
&rst
ixpk= 2315, nxpk= 20, iat= 150, 112, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 VAL MGY 8 VAL HA 3.50 (# 2316:20 Unique 2.37, 3.15 A)
&rst
ixpk= 2316, nxpk= 20, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 8 VAL MGX 8 VAL HA 3.50 (# 2317:20 Unique 2.37, 3.15 A)
&rst
ixpk= 2317, nxpk= 20, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 8 VAL HB 8 VAL HA 3.50 (# 2318:20 Unique 3.01, 3.04 A)
&rst
ixpk= 2318, nxpk= 20, iat= 114, 112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2319 8 VAL HA 5.50 (# 2319:20 Single Ambig)
&rst
ixpk= 2319, nxpk= 20, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1198,1199,1183,1184,
&end
#
# 7 ASP HB- 8 VAL HA 5.50 (# 2320:20 Unique 4.41, 5.69 A)
&rst
ixpk= 2320, nxpk= 20, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 102, 103,
&end
#
# 11 THR HB 8 VAL HA 3.50 (# 2321:20 Unique 2.53, 3.14 A)
&rst
ixpk= 2321, nxpk= 20, iat= 154, 112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 VAL HN 8 VAL HB 4.50 (# 2322:20 Unique 2.32, 2.48 A)
&rst
ixpk= 2322, nxpk= 20, iat= 110, 114, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 VAL HA 8 VAL HB 3.50 (# 2325:20 Unique 3.01, 3.04 A)
&rst
ixpk= 2325, nxpk= 20, iat= 112, 114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2330 97 VAL MGX 4.50 (# 2330:20 Single Ambig)
&rst
ixpk= 2330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 628, 632,1650,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 121 LEU HN 113 ALA MB 4.50 (# 2331:20 Unique 3.87, 4.95 A)
&rst
ixpk= 2331, nxpk= 20, iat=1815, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1728,1729,1730,
&end
#
# 8 VAL HN 8 VAL MGX 4.50 (# 2332:20 Unique 2.04, 3.87 A)
&rst
ixpk= 2332, nxpk= 20, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 12 ARG HH1+ 8 VAL MGX 6.50 (# 2334:20 Unique 2.49, 6.51 A)
&rst
ixpk= 2334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1= 180, 181,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 114 ASN HB+ 113 ALA MB 4.50 (# 2337:20 Unique 4.50, 5.86 A)
&rst
ixpk= 2337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1738,1739,
igr2=1728,1729,1730,
&end
#
# 78 GLU HG- 8 VAL MGX 4.50 (# 2338:20 Unique 2.69, 6.73 A)
&rst
ixpk= 2338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1183,1184,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 12 ARG HB- 8 VAL MGX 4.50 (# 2339:20 Unique 2.47, 6.42 A)
&rst
ixpk= 2339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 168, 169,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 5 ARG HG- 8 VAL MGX 4.50 (# 2340:20 Unique 2.34, 5.51 A)
&rst
ixpk= 2340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 66, 67,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 98 VAL HA 97 VAL MGX 4.50 (# 2341:20 Unique 3.74, 5.73 A)
&rst
ixpk= 2341, nxpk= 20, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 12 ARG HD+ 8 VAL MGY 4.50 (# 2342:20 Unique 2.44, 5.84 A)
&rst
ixpk= 2342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 174, 175,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 7 ASP HB+ 8 VAL MGY 5.50 (# 2343:20 Unique 2.67, 7.47 A)
&rst
ixpk= 2343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 102, 103,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 0 AMB 20-2:2344 8 VAL MGY 3.50 (# 2344:20 Single Ambig)
&rst
ixpk= 2344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1198,1199,1183,1184,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 0 AMB 20-2:2345 0 AMB 20-1:2345 3.50 (# 2345:20 Double Ambig)
&rst
ixpk= 2345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1479, 168, 169,
igr2=1481,1482,1483,1485,1486,1487, 116, 117, 118, 120,
121, 122,
&end
#
# 40 ILE HB 97 VAL MGX 3.50 (# 2346:20 Unique 3.25, 4.24 A)
&rst
ixpk= 2346, nxpk= 20, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 12 ARG HD- 9 ALA HA 6.50 (# 2348:20 Unique 3.74, 5.33 A)
&rst
ixpk= 2348, nxpk= 20, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 174, 175,
&end
#
# 121 LEU HG 9 ALA HA 5.50 (# 2349:20 Unique 4.40, 4.85 A)
&rst
ixpk= 2349, nxpk= 20, iat=1822, 128, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 LEU HA 0 AMB 20-1:2350 5.50 (# 2350:20 Single Ambig)
&rst
ixpk= 2350, nxpk= 20, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 130, 131, 132, 192, 193, 194,
&end
#
# 0 AMB 20-2:2352 10 ASN HA 4.50 (# 2352:20 Single Ambig)
&rst
ixpk= 2352, nxpk= 20, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 208, 209, 208, 209,1738,1739,
&end
#
# 8 VAL HA 10 ASN HB+ 5.50 (# 2353:20 Unique 4.42, 5.55 A)
&rst
ixpk= 2353, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 140, 141,
&end
#
# 8 VAL HA 10 ASN HB- 5.50 (# 2354:20 Unique 4.42, 5.55 A)
&rst
ixpk= 2354, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 140, 141,
&end
#
# 94 GLN HG- 93 ASN HB+ 5.50 (# 2356:20 Unique 4.24, 6.11 A)
&rst
ixpk= 2356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1434,1435,
igr2=1417,1418,
&end
#
# 121 LEU HB+ 10 ASN HB- 6.50 (# 2358:20 Unique 3.05, 5.53 A)
&rst
ixpk= 2358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1819,1820,
igr2= 140, 141,
&end
#
# 121 LEU HB+ 10 ASN HB+ 6.50 (# 2359:20 Unique 3.05, 5.53 A)
&rst
ixpk= 2359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1819,1820,
igr2= 140, 141,
&end
#
# 0 AMB 20-2:2360 11 THR HA 5.50 (# 2360:20 Single Ambig)
&rst
ixpk= 2360, nxpk= 20, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 166, 190,
&end
#
# 0 AMB 20-2:2362 11 THR HA 4.50 (# 2362:20 Single Ambig)
&rst
ixpk= 2362, nxpk= 20, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 208, 209, 208, 209,
&end
#
# 15 GLU HG+ 11 THR HA 6.50 (# 2364:20 Unique 4.17, 5.90 A)
&rst
ixpk= 2364, nxpk= 20, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 229, 230,
&end
#
# 15 GLU HB- 11 THR HA 6.50 (# 2365:20 Unique 4.80, 6.06 A)
&rst
ixpk= 2365, nxpk= 20, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 226, 227,
&end
#
# 0 AMB 20-2:2368 11 THR HB 4.50 (# 2368:20 Single Ambig)
&rst
ixpk= 2368, nxpk= 20, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 168, 169, 205, 206,
&end
#
# 8 VAL MGY 11 THR HB 4.50 (# 2369:20 Unique 3.03, 5.07 A)
&rst
ixpk= 2369, nxpk= 20, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 11 THR HN 11 THR MG2 5.50 (# 2371:20 Unique 4.30, 4.53 A)
&rst
ixpk= 2371, nxpk= 20, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 156, 157, 158,
&end
#
# 12 ARG HN 12 ARG HD- 5.50 (# 2373:20 Unique 3.14, 4.41 A)
&rst
ixpk= 2373, nxpk= 20, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 174, 175,
&end
#
# 78 GLU HN 12 ARG HD- 6.50 (# 2374:20 Unique 2.50, 4.81 A)
&rst
ixpk= 2374, nxpk= 20, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 174, 175,
&end
#
# 8 VAL HA 12 ARG HD+ 6.50 (# 2375:20 Unique 5.45, 6.34 A)
&rst
ixpk= 2375, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 174, 175,
&end
#
# 8 VAL HA 12 ARG HD- 6.50 (# 2376:20 Unique 5.45, 6.34 A)
&rst
ixpk= 2376, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 174, 175,
&end
#
# 77 ASP HB+ 12 ARG HD- 5.50 (# 2379:20 Unique 2.92, 4.92 A)
&rst
ixpk= 2379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1168,1169,
igr2= 174, 175,
&end
#
# 0 AMB 20-2:2380 12 ARG HD- 5.50 (# 2380:20 Single Ambig)
&rst
ixpk= 2380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1183,1184,1198,1199,
igr2= 174, 175,
&end
#
# 9 ALA MB 12 ARG HD+ 6.50 (# 2381:20 Unique 5.52, 7.75 A)
&rst
ixpk= 2381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 130, 131, 132,
igr2= 174, 175,
&end
#
# 11 THR MG2 12 ARG HD+ 6.50 (# 2383:20 Unique 3.22, 6.53 A)
&rst
ixpk= 2383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 156, 157, 158,
igr2= 174, 175,
&end
#
# 122 LEU HN 13 ALA MB 5.50 (# 2385:20 Unique 3.74, 4.80 A)
&rst
ixpk= 2385, nxpk= 20, iat=1834, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 192, 193, 194,
&end
#
# 0 AMB 20-2:2386 0 AMB 20-1:2386 5.50 (# 2386:20 Double Ambig)
&rst
ixpk= 2386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1709,1726,
igr2= 192, 193, 194, 130, 131, 132,
&end
#
# 121 LEU HG 13 ALA MB 3.50 (# 2387:20 Unique 2.91, 3.60 A)
&rst
ixpk= 2387, nxpk= 20, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 192, 193, 194,
&end
#
# 80 LEU HG 13 ALA MB 4.50 (# 2388:20 Unique 2.60, 5.27 A)
&rst
ixpk= 2388, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 192, 193, 194,
&end
#
# 17 ALA HA 15 GLU HA 6.50 (# 2390:20 Unique 6.52, 6.57 A)
&rst
ixpk= 2390, nxpk= 20, iat= 253, 224, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 15 GLU HB- 15 GLU HA 3.50 (# 2392:20 Unique 2.45, 2.80 A)
&rst
ixpk= 2392, nxpk= 20, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 226, 227,
&end
#
# 0 AMB 20-2:2395 15 GLU HG- 5.50 (# 2395:20 Single Ambig)
&rst
ixpk= 2395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 271, 261,
igr2= 229, 230,
&end
#
# 20 PHE HN 16 THR HA 5.50 (# 2400:20 Unique 3.64, 3.78 A)
&rst
ixpk= 2400, nxpk= 20, iat= 295, 239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2402 16 THR HA 5.50 (# 2402:20 Single Ambig)
&rst
ixpk= 2402, nxpk= 20, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 299, 300,1168,1169,
&end
#
# 17 ALA HN 16 THR HB 5.50 (# 2403:20 Unique 2.67, 2.81 A)
&rst
ixpk= 2403, nxpk= 20, iat= 251, 241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 THR HN 16 THR HB 5.50 (# 2404:20 Unique 2.30, 2.45 A)
&rst
ixpk= 2404, nxpk= 20, iat= 237, 241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 THR MG2 16 THR HB 4.50 (# 2405:20 Unique 2.34, 2.65 A)
&rst
ixpk= 2405, nxpk= 20, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 243, 244, 245,
&end
#
# 80 LEU HG 16 THR HB 6.50 (# 2406:20 Unique 3.19, 4.65 A)
&rst
ixpk= 2406, nxpk= 20, iat=1213, 241, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 0 AMB 20-2:2408 16 THR MG2 6.50 (# 2408:20 Single Ambig)
&rst
ixpk= 2408, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.37, r4= 9.87,
igr1= 297, 200, 128,
igr2= 243, 244, 245,
&end
#
# 20 PHE HB- 16 THR MG2 5.50 (# 2409:20 Unique 3.57, 5.02 A)
&rst
ixpk= 2409, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 299, 300,
igr2= 243, 244, 245,
&end
#
# 110 LEU MDX 16 THR MG2 5.50 (# 2411:20 Unique 4.89, 7.11 A)
&rst
ixpk= 2411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1678,1679,1680,1682,1683,1684,
igr2= 243, 244, 245,
&end
#
# 16 THR HN 18 ALA MB 6.50 (# 2413:20 Unique 5.10, 6.30 A)
&rst
ixpk= 2413, nxpk= 20, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 265, 266, 267,
&end
#
# 17 ALA HA 18 ALA MB 5.50 (# 2415:20 Unique 5.82, 6.14 A)
&rst
ixpk= 2415, nxpk= 20, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 265, 266, 267,
&end
#
# 23 ALA HN 19 ARG HA 5.50 (# 2416:20 Unique 3.86, 4.04 A)
&rst
ixpk= 2416, nxpk= 20, iat= 339, 273, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 LEU MDX 34 SER HA 5.50 (# 2418:20 Unique 2.68, 6.77 A)
&rst
ixpk= 2418, nxpk= 20, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 500, 501, 502, 504, 505, 506,
&end
#
# 20 PHE HN 19 ARG HB- 5.50 (# 2419:20 Unique 2.49, 3.19 A)
&rst
ixpk= 2419, nxpk= 20, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 275, 276,
&end
#
# 20 PHE HN 19 ARG HB+ 4.50 (# 2420:20 Unique 2.49, 3.19 A)
&rst
ixpk= 2420, nxpk= 20, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 275, 276,
&end
#
# 0 AMB 20-2:2421 0 AMB 20-1:2421 3.50 (# 2421:20 Double Ambig)
&rst
ixpk= 2421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 849, 273,
igr2= 846, 847, 275, 276,
&end
#
# 19 ARG HA 19 ARG HB+ 3.50 (# 2422:20 Unique 2.44, 2.79 A)
&rst
ixpk= 2422, nxpk= 20, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 275, 276,
&end
#
# 18 ALA MB 19 ARG HB+ 4.50 (# 2423:20 Unique 3.96, 5.90 A)
&rst
ixpk= 2423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 265, 266, 267,
igr2= 275, 276,
&end
#
# 18 ALA MB 19 ARG HB- 4.50 (# 2424:20 Unique 3.96, 5.90 A)
&rst
ixpk= 2424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 265, 266, 267,
igr2= 275, 276,
&end
#
# 0 AMB 20-2:2426 0 AMB 20-1:2426 5.50 (# 2426:20 Double Ambig)
&rst
ixpk= 2426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2023,2024,1153,
igr2= 205, 206, 278, 279,
&end
#
# 18 ALA MB 0 AMB 20-1:2429 5.50 (# 2429:20 Single Ambig)
&rst
ixpk= 2429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 265, 266, 267,
igr2= 281, 282, 281, 282,
&end
#
# 16 THR HA 0 AMB 20-1:2432 5.50 (# 2432:20 Single Ambig)
&rst
ixpk= 2432, nxpk= 20, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 281, 282, 281, 282,
&end
#
# 20 PHE HN 20 PHE HB- 5.50 (# 2434:20 Unique 2.29, 2.54 A)
&rst
ixpk= 2434, nxpk= 20, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 299, 300,
&end
#
# 130 TRP HH2 21 THR HA 6.50 (# 2436:20 Unique 3.44, 4.06 A)
&rst
ixpk= 2436, nxpk= 20, iat=1957, 317, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 21 THR MG2 21 THR HA 3.50 (# 2438:20 Unique 2.38, 3.11 A)
&rst
ixpk= 2438, nxpk= 20, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 321, 322, 323,
&end
#
# 0 AMB 20-2:2439 21 THR HA 4.50 (# 2439:20 Single Ambig)
&rst
ixpk= 2439, nxpk= 20, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 358, 359, 360, 362, 363, 364,1989,1990,1991,1993,
1994,1995,
&end
#
# 17 ALA HA 21 THR MG2 6.50 (# 2441:20 Unique 5.26, 7.56 A)
&rst
ixpk= 2441, nxpk= 20, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 321, 322, 323,
&end
#
# 0 AMB 20-2:2443 21 THR MG2 4.50 (# 2443:20 Single Ambig)
&rst
ixpk= 2443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 372, 373,2018,2019,
igr2= 321, 322, 323,
&end
#
# 131 PRO HG+ 21 THR MG2 3.50 (# 2445:20 Unique 4.30, 4.92 A)
&rst
ixpk= 2445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1970,1971,
igr2= 321, 322, 323,
&end
#
# 130 TRP HZ2 22 ALA HA 5.50 (# 2446:20 Unique 5.50, 5.52 A)
&rst
ixpk= 2446, nxpk= 20, iat=1955, 331, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 GLU HB- 23 ALA HA 5.50 (# 2447:20 Unique 5.05, 5.61 A)
&rst
ixpk= 2447, nxpk= 20, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 372, 373,
&end
#
# 0 AMB 20-2:2448 17 ALA MB 5.50 (# 2448:20 Single Ambig)
&rst
ixpk= 2448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 237,2011,
igr2= 255, 256, 257,
&end
#
# 0 AMB 20-2:2450 17 ALA MB 5.50 (# 2450:20 Single Ambig)
&rst
ixpk= 2450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1714,1715, 226, 227,
igr2= 255, 256, 257,
&end
#
# 27 ALA HA 24 LEU HA 5.50 (# 2452:20 Unique 4.82, 4.97 A)
&rst
ixpk= 2452, nxpk= 20, iat= 404, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2453 24 LEU HA 5.50 (# 2453:20 Single Ambig)
&rst
ixpk= 2453, nxpk= 20, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 372, 373, 447, 448,
&end
#
# 25 GLU HN 24 LEU HB+ 5.50 (# 2454:20 Unique 2.71, 3.40 A)
&rst
ixpk= 2454, nxpk= 20, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 353, 354,
&end
#
# 0 AMB 20-2:2455 0 AMB 20-1:2455 6.50 (# 2455:20 Double Ambig)
&rst
ixpk= 2455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
igr1= 339,1980,
igr2= 387, 388, 353, 354,
&end
#
# 130 TRP HH2 24 LEU HB- 6.50 (# 2456:20 Unique 4.17, 5.10 A)
&rst
ixpk= 2456, nxpk= 20, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 353, 354,
&end
#
# 130 TRP HZ3 24 LEU HB+ 6.50 (# 2457:20 Unique 2.14, 3.06 A)
&rst
ixpk= 2457, nxpk= 20, iat=1959, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 353, 354,
&end
#
# 0 AMB 20-2:2458 24 LEU HB- 6.50 (# 2458:20 Single Ambig)
&rst
ixpk= 2458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1= 595, 596, 597, 425, 426, 427,
igr2= 353, 354,
&end
#
# 0 AMB 20-2:2459 0 AMB 20-1:2459 6.50 (# 2459:20 Double Ambig)
&rst
ixpk= 2459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.04, r4=11.54,
igr1= 595, 596, 597, 425, 426, 427,
igr2= 353, 354, 353, 354,
&end
#
# 28 ILE HN 24 LEU HG 4.50 (# 2460:20 Unique 4.33, 4.48 A)
&rst
ixpk= 2460, nxpk= 20, iat= 412, 356, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 130 TRP HE3 24 LEU HG 6.50 (# 2461:20 Unique 2.49, 2.73 A)
&rst
ixpk= 2461, nxpk= 20, iat=1961, 356, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 0 AMB 20-2:2462 24 LEU MDX 6.50 (# 2462:20 Single Ambig)
&rst
ixpk= 2462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
igr1= 443,1638,1567,
igr2= 358, 359, 360, 362, 363, 364,
&end
#
# 20 PHE HE 24 LEU MDX 4.50 (# 2463:20 Unique 2.68, 4.93 A)
&rst
ixpk= 2463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 305, 309,
igr2= 358, 359, 360, 362, 363, 364,
&end
#
# 105 ILE QG2 24 LEU MDX 3.50 (# 2464:20 Unique 2.45, 4.71 A)
&rst
ixpk= 2464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1597,1598,1599,
igr2= 358, 359, 360, 362, 363, 364,
&end
#
# 125 VAL HN 132 LEU MDX 5.50 (# 2465:20 Unique 2.77, 5.11 A)
&rst
ixpk= 2465, nxpk= 20, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 28 ILE HN 24 LEU MDY 5.50 (# 2466:20 Unique 4.18, 6.31 A)
&rst
ixpk= 2466, nxpk= 20, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 358, 359, 360, 362, 363, 364,
&end
#
# 130 TRP HH2 25 GLU HA 5.50 (# 2467:20 Unique 3.78, 4.03 A)
&rst
ixpk= 2467, nxpk= 20, iat=1957, 370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ALA HA 25 GLU HA 5.50 (# 2468:20 Unique 4.94, 5.15 A)
&rst
ixpk= 2468, nxpk= 20, iat= 331, 370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ILE HA 25 GLU HA 5.50 (# 2469:20 Unique 5.30, 5.40 A)
&rst
ixpk= 2469, nxpk= 20, iat= 414, 370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 GLU HB- 25 GLU HA 3.50 (# 2472:20 Unique 2.43, 2.81 A)
&rst
ixpk= 2472, nxpk= 20, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 372, 373,
&end
#
# 0 AMB 20-2:2473 25 GLU HA 5.50 (# 2473:20 Single Ambig)
&rst
ixpk= 2473, nxpk= 20, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 406, 407, 408,1517,1518,
&end
#
# 28 ILE HN 0 AMB 20-1:2474 4.50 (# 2474:20 Single Ambig)
&rst
ixpk= 2474, nxpk= 20, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 447, 448, 372, 373,
&end
#
# 28 ILE HN 0 AMB 20-1:2475 4.50 (# 2475:20 Single Ambig)
&rst
ixpk= 2475, nxpk= 20, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 447, 448, 372, 373,
&end
#
# 130 TRP HH2 25 GLU HB- 4.50 (# 2476:20 Unique 2.15, 3.08 A)
&rst
ixpk= 2476, nxpk= 20, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 372, 373,
&end
#
# 130 TRP HH2 25 GLU HB+ 4.50 (# 2477:20 Unique 2.15, 3.08 A)
&rst
ixpk= 2477, nxpk= 20, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 372, 373,
&end
#
# 25 GLU HA 25 GLU HB- 3.50 (# 2478:20 Unique 2.43, 2.81 A)
&rst
ixpk= 2478, nxpk= 20, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 372, 373,
&end
#
# 25 GLU HA 25 GLU HB+ 3.50 (# 2479:20 Unique 2.43, 2.81 A)
&rst
ixpk= 2479, nxpk= 20, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 372, 373,
&end
#
# 28 ILE QD1 25 GLU HB- 6.50 (# 2481:20 Unique 4.24, 5.99 A)
&rst
ixpk= 2481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 425, 426, 427,
igr2= 372, 373,
&end
#
# 0 AMB 20-2:2482 0 AMB 20-1:2482 6.50 (# 2482:20 Double Ambig)
&rst
ixpk= 2482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.04, r4=11.54,
igr1= 425, 426, 427, 595, 596, 597,
igr2= 372, 373, 447, 448,
&end
#
# 130 TRP HH2 25 GLU HG- 6.50 (# 2483:20 Unique 3.34, 4.33 A)
&rst
ixpk= 2483, nxpk= 20, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 375, 376,
&end
#
# 130 TRP HE3 25 GLU HG+ 5.50 (# 2484:20 Unique 5.02, 6.25 A)
&rst
ixpk= 2484, nxpk= 20, iat=1961, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 375, 376,
&end
#
# 26 LEU HA 25 GLU HG- 5.50 (# 2485:20 Unique 4.19, 5.21 A)
&rst
ixpk= 2485, nxpk= 20, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 375, 376,
&end
#
# 26 LEU HA 25 GLU HG+ 6.50 (# 2486:20 Unique 4.19, 5.21 A)
&rst
ixpk= 2486, nxpk= 20, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 375, 376,
&end
#
# 28 ILE QD1 25 GLU HG- 6.50 (# 2489:20 Unique 3.52, 5.41 A)
&rst
ixpk= 2489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 425, 426, 427,
igr2= 375, 376,
&end
#
# 28 ILE QD1 25 GLU HG+ 6.50 (# 2490:20 Unique 3.52, 5.41 A)
&rst
ixpk= 2490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 425, 426, 427,
igr2= 375, 376,
&end
#
# 25 GLU HA 26 LEU HA 5.50 (# 2492:20 Unique 4.95, 4.98 A)
&rst
ixpk= 2492, nxpk= 20, iat= 370, 385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2493 26 LEU HA 4.50 (# 2493:20 Single Ambig)
&rst
ixpk= 2493, nxpk= 20, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 372, 373, 447, 448,
&end
#
# 30 ARG HB- 26 LEU HB+ 5.50 (# 2495:20 Unique 5.79, 6.97 A)
&rst
ixpk= 2495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 447, 448,
igr2= 387, 388,
&end
#
# 0 AMB 20-2:2497 0 AMB 20-1:2497 6.50 (# 2497:20 Double Ambig)
&rst
ixpk= 2497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 150, 349,
igr2= 171, 172, 390,
&end
#
# 0 AMB 20-2:2500 26 LEU MDY 5.50 (# 2500:20 Single Ambig)
&rst
ixpk= 2500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1031,1032, 435, 436,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 30 ARG HD+ 27 ALA HA 5.50 (# 2505:20 Unique 3.75, 5.48 A)
&rst
ixpk= 2505, nxpk= 20, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 453, 454,
&end
#
# 0 AMB 20-2:2506 27 ALA HA 6.50 (# 2506:20 Single Ambig)
&rst
ixpk= 2506, nxpk= 20, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 595, 596, 597, 425, 426, 427,
&end
#
# 28 ILE HA 27 ALA MB 5.50 (# 2507:20 Unique 4.48, 5.06 A)
&rst
ixpk= 2507, nxpk= 20, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 406, 407, 408,
&end
#
# 29 ASP HA 28 ILE HB 6.50 (# 2509:20 Unique 3.92, 4.57 A)
&rst
ixpk= 2509, nxpk= 20, iat= 433, 416, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 0 AMB 20-2:2510 28 ILE HB 5.50 (# 2510:20 Single Ambig)
&rst
ixpk= 2510, nxpk= 20, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 406, 407, 408,1517,1518,
&end
#
# 0 AMB 20-2:2511 28 ILE HB 6.50 (# 2511:20 Single Ambig)
&rst
ixpk= 2511, nxpk= 20, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
igr1=1517,1518, 358, 359, 360, 362, 363, 364,
&end
#
# 130 TRP HN 28 ILE QD1 6.50 (# 2512:20 Unique 4.26, 5.06 A)
&rst
ixpk= 2512, nxpk= 20, iat=1942, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 425, 426, 427,
&end
#
# 29 ASP HN 28 ILE QD1 6.50 (# 2513:20 Unique 4.79, 5.62 A)
&rst
ixpk= 2513, nxpk= 20, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 425, 426, 427,
&end
#
# 130 TRP HA 28 ILE QD1 5.50 (# 2514:20 Unique 3.74, 4.61 A)
&rst
ixpk= 2514, nxpk= 20, iat=1944, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 425, 426, 427,
&end
#
# 25 GLU HB+ 28 ILE QD1 4.50 (# 2516:20 Unique 4.24, 5.99 A)
&rst
ixpk= 2516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 372, 373,
igr2= 425, 426, 427,
&end
#
# 31 ALA HN 30 ARG HG- 5.50 (# 2520:20 Unique 3.97, 4.97 A)
&rst
ixpk= 2520, nxpk= 20, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 450, 451,
&end
#
# 0 AMB 20-2:2521 30 ARG HG- 3.50 (# 2521:20 Single Ambig)
&rst
ixpk= 2521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 565, 566, 567, 569, 570, 571, 772, 773, 774, 776,
777, 778,
igr2= 450, 451,
&end
#
# 30 ARG HN 30 ARG HD- 5.50 (# 2522:20 Unique 2.63, 4.51 A)
&rst
ixpk= 2522, nxpk= 20, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 453, 454,
&end
#
# 30 ARG HN 30 ARG HD+ 5.50 (# 2523:20 Unique 2.63, 4.51 A)
&rst
ixpk= 2523, nxpk= 20, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 453, 454,
&end
#
# 30 ARG HA 30 ARG HD- 4.50 (# 2525:20 Unique 2.06, 3.42 A)
&rst
ixpk= 2525, nxpk= 20, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 453, 454,
&end
#
# 0 AMB 20-2:2527 0 AMB 20-1:2527 4.50 (# 2527:20 Double Ambig)
&rst
ixpk= 2527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 392, 393, 394, 396, 397, 398, 985, 986, 987, 989,
990, 991,
igr2= 453, 454, 453, 454,
&end
#
# 99 ILE HN 31 ALA MB 6.50 (# 2528:20 Unique 4.86, 5.71 A)
&rst
ixpk= 2528, nxpk= 20, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 471, 472, 473,
&end
#
# 0 AMB 20-2:2529 31 ALA MB 5.50 (# 2529:20 Single Ambig)
&rst
ixpk= 2529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 431,1555,
igr2= 471, 472, 473,
&end
#
# 51 VAL HA 31 ALA MB 6.50 (# 2530:20 Unique 6.65, 7.81 A)
&rst
ixpk= 2530, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 471, 472, 473,
&end
#
# 0 AMB 20-2:2531 31 ALA MB 4.50 (# 2531:20 Single Ambig)
&rst
ixpk= 2531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 481, 433,
igr2= 471, 472, 473,
&end
#
# 37 PRO HB- 31 ALA MB 5.50 (# 2532:20 Unique 4.15, 5.79 A)
&rst
ixpk= 2532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 552, 553,
igr2= 471, 472, 473,
&end
#
# 0 AMB 20-2:2533 32 THR HA 6.50 (# 2533:20 Single Ambig)
&rst
ixpk= 2533, nxpk= 20, iat= -1, 479, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00,
igr1=1530,1531, 786, 787, 416,
&end
#
# 101 ALA HA 32 THR HB 6.50 (# 2535:20 Unique 2.66, 3.21 A)
&rst
ixpk= 2535, nxpk= 20, iat=1547, 481, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 31 ALA HN 32 THR MG2 6.50 (# 2536:20 Unique 4.36, 5.47 A)
&rst
ixpk= 2536, nxpk= 20, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 483, 484, 485,
&end
#
# 32 THR MG2 33 LEU HB+ 4.50 (# 2540:20 Unique 3.16, 5.46 A)
&rst
ixpk= 2540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 483, 484, 485,
igr2= 495, 496,
&end
#
# 32 THR MG2 33 LEU HB- 5.50 (# 2541:20 Unique 3.16, 5.46 A)
&rst
ixpk= 2541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 483, 484, 485,
igr2= 495, 496,
&end
#
# 33 LEU HA 33 LEU HG 4.50 (# 2542:20 Unique 2.97, 3.14 A)
&rst
ixpk= 2542, nxpk= 20, iat= 493, 498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 ILE HA 0 AMB 20-1:2544 6.50 (# 2544:20 Single Ambig)
&rst
ixpk= 2544, nxpk= 20, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr2= 392, 393, 394, 396, 397, 398, 500, 501, 502, 504,
505, 506,
&end
#
# 94 GLN HN 92 SER HB+ 5.50 (# 2545:20 Unique 2.69, 3.55 A)
&rst
ixpk= 2545, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1406,1407,
&end
#
# 51 VAL HA 34 SER HB- 5.50 (# 2546:20 Unique 5.47, 6.02 A)
&rst
ixpk= 2546, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 514, 515,
&end
#
# 37 PRO HD- 36 GLN HB+ 4.50 (# 2547:20 Unique 2.29, 4.28 A)
&rst
ixpk= 2547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 546, 547,
igr2= 532, 533,
&end
#
# 36 GLN HN 36 GLN HB- 5.50 (# 2548:20 Unique 2.66, 3.14 A)
&rst
ixpk= 2548, nxpk= 20, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 532, 533,
&end
#
# 50 MET HA 63 PRO HA 5.50 (# 2549:20 Unique 2.41, 2.71 A)
&rst
ixpk= 2549, nxpk= 20, iat= 751, 972, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 LEU HA 37 PRO HA 5.50 (# 2550:20 Unique 2.54, 2.95 A)
&rst
ixpk= 2550, nxpk= 20, iat=1528, 555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2551 0 AMB 20-1:2551 5.50 (# 2551:20 Double Ambig)
&rst
ixpk= 2551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1535,1536,1537,1539,1540,1541, 952, 953, 954, 956,
957, 958,
igr2= 555, 972,
&end
#
# 30 ARG HD+ 38 VAL MGX 6.50 (# 2553:20 Unique 3.57, 6.02 A)
&rst
ixpk= 2553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1= 453, 454,
igr2= 565, 566, 567, 569, 570, 571,
&end
#
# 97 VAL HN 40 ILE HB 6.50 (# 2556:20 Unique 3.44, 3.82 A)
&rst
ixpk= 2556, nxpk= 20, iat=1475, 586, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 24 LEU HA 40 ILE QD1 5.50 (# 2559:20 Unique 2.33, 3.73 A)
&rst
ixpk= 2559, nxpk= 20, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 595, 596, 597,
&end
#
# 99 ILE QD1 40 ILE QD1 4.50 (# 2560:20 Unique 2.55, 4.50 A)
&rst
ixpk= 2560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1520,1521,1522,
igr2= 595, 596, 597,
&end
#
# 42 PHE HD 40 ILE QG2 6.50 (# 2561:20 Unique 3.10, 4.92 A)
&rst
ixpk= 2561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 626, 634,
igr2= 588, 589, 590,
&end
#
# 20 PHE HZ 40 ILE QG2 5.50 (# 2562:20 Unique 3.86, 5.84 A)
&rst
ixpk= 2562, nxpk= 20, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 588, 589, 590,
&end
#
# 0 AMB 20-2:2564 40 ILE QG2 5.50 (# 2564:20 Single Ambig)
&rst
ixpk= 2564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1479, 353, 354,
igr2= 588, 589, 590,
&end
#
# 49 ILE HG1- 40 ILE QG2 6.50 (# 2565:20 Unique 2.28, 5.51 A)
&rst
ixpk= 2565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 740, 741,
igr2= 588, 589, 590,
&end
#
# 41 HIS HB+ 41 HIS HA 6.50 (# 2566:20 Unique 2.26, 2.67 A)
&rst
ixpk= 2566, nxpk= 20, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 605, 606,
&end
#
# 42 PHE HD 42 PHE HA 5.50 (# 2569:20 Unique 2.43, 3.51 A)
&rst
ixpk= 2569, nxpk= 20, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 626, 634,
&end
#
# 47 TRP HA 42 PHE HA 5.50 (# 2570:20 Unique 2.28, 2.49 A)
&rst
ixpk= 2570, nxpk= 20, iat= 684, 620, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 PHE HB- 42 PHE HA 5.50 (# 2571:20 Unique 2.45, 2.78 A)
&rst
ixpk= 2571, nxpk= 20, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 622, 623,
&end
#
# 42 PHE HB+ 42 PHE HA 5.50 (# 2572:20 Unique 2.45, 2.78 A)
&rst
ixpk= 2572, nxpk= 20, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 622, 623,
&end
#
# 42 PHE HN 42 PHE HB+ 6.50 (# 2573:20 Unique 2.37, 3.24 A)
&rst
ixpk= 2573, nxpk= 20, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 622, 623,
&end
#
# 42 PHE HD 42 PHE HB- 4.50 (# 2574:20 Unique 2.37, 3.08 A)
&rst
ixpk= 2574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 626, 634,
igr2= 622, 623,
&end
#
# 42 PHE HD 42 PHE HB+ 4.50 (# 2575:20 Unique 2.37, 3.08 A)
&rst
ixpk= 2575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 626, 634,
igr2= 622, 623,
&end
#
# 42 PHE HA 42 PHE HB- 5.50 (# 2576:20 Unique 2.45, 2.78 A)
&rst
ixpk= 2576, nxpk= 20, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 622, 623,
&end
#
# 84 LEU MDY 42 PHE HB- 5.50 (# 2578:20 Unique 2.21, 4.42 A)
&rst
ixpk= 2578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1281,1282,1283,1285,1286,1287,
igr2= 622, 623,
&end
#
# 91 ASP HA 43 SER HA 6.50 (# 2580:20 Unique 3.21, 4.40 A)
&rst
ixpk= 2580, nxpk= 20, iat=1392, 640, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 0 AMB 20-2:2582 43 SER HA 5.50 (# 2582:20 Single Ambig)
&rst
ixpk= 2582, nxpk= 20, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 653, 654, 653, 654,
&end
#
# 43 SER HA 43 SER HB- 5.50 (# 2585:20 Unique 2.29, 2.54 A)
&rst
ixpk= 2585, nxpk= 20, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 642, 643,
&end
#
# 43 SER HA 44 ASP HA 5.50 (# 2587:20 Unique 4.24, 4.46 A)
&rst
ixpk= 2587, nxpk= 20, iat= 640, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 SER HN 45 SER HA 6.50 (# 2588:20 Unique 2.23, 2.94 A)
&rst
ixpk= 2588, nxpk= 20, iat= 661, 663, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 46 ALA HN 45 SER HB+ 5.50 (# 2590:20 Unique 2.61, 3.96 A)
&rst
ixpk= 2590, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 665, 666,
&end
#
# 46 ALA MB 45 SER HB- 5.50 (# 2591:20 Unique 3.54, 5.37 A)
&rst
ixpk= 2591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 676, 677, 678,
igr2= 665, 666,
&end
#
# 46 ALA MB 45 SER HB+ 4.50 (# 2592:20 Unique 3.54, 5.37 A)
&rst
ixpk= 2592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 676, 677, 678,
igr2= 665, 666,
&end
#
# 48 ARG HN 46 ALA MB 6.50 (# 2593:20 Unique 5.67, 6.57 A)
&rst
ixpk= 2593, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 676, 677, 678,
&end
#
# 73 GLN HE2- 46 ALA MB 6.50 (# 2595:20 Unique 5.88, 7.44 A)
&rst
ixpk= 2595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1109,1110,
igr2= 676, 677, 678,
&end
#
# 45 SER HB- 46 ALA MB 5.50 (# 2600:20 Unique 3.54, 5.37 A)
&rst
ixpk= 2600, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 665, 666,
igr2= 676, 677, 678,
&end
#
# 45 SER HB+ 46 ALA MB 5.50 (# 2601:20 Unique 3.54, 5.37 A)
&rst
ixpk= 2601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 665, 666,
igr2= 676, 677, 678,
&end
#
# 73 GLN HG- 46 ALA MB 4.50 (# 2603:20 Unique 3.50, 5.56 A)
&rst
ixpk= 2603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1104,1105,
igr2= 676, 677, 678,
&end
#
# 48 ARG HN 47 TRP HA 5.50 (# 2604:20 Unique 2.22, 2.34 A)
&rst
ixpk= 2604, nxpk= 20, iat= 706, 684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 TRP HB+ 47 TRP HA 5.50 (# 2605:20 Unique 2.24, 2.48 A)
&rst
ixpk= 2605, nxpk= 20, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 686, 687,
&end
#
# 48 ARG HN 47 TRP HB+ 5.50 (# 2606:20 Unique 2.52, 3.39 A)
&rst
ixpk= 2606, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 686, 687,
&end
#
# 48 ARG HN 47 TRP HB- 6.50 (# 2607:20 Unique 2.52, 3.39 A)
&rst
ixpk= 2607, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 686, 687,
&end
#
# 47 TRP HN 47 TRP HB+ 6.50 (# 2608:20 Unique 2.45, 3.45 A)
&rst
ixpk= 2608, nxpk= 20, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 686, 687,
&end
#
# 42 PHE HE 47 TRP HB- 5.50 (# 2609:20 Unique 2.43, 4.60 A)
&rst
ixpk= 2609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 628, 632,
igr2= 686, 687,
&end
#
# 0 AMB 20-2:2610 47 TRP HB- 5.50 (# 2610:20 Single Ambig)
&rst
ixpk= 2610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 588, 589, 590,1246,1247,
igr2= 686, 687,
&end
#
# 40 ILE QG2 47 TRP HB+ 5.50 (# 2611:20 Unique 2.85, 4.39 A)
&rst
ixpk= 2611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 588, 589, 590,
igr2= 686, 687,
&end
#
# 49 ILE HN 48 ARG HA 5.50 (# 2612:20 Unique 2.16, 2.35 A)
&rst
ixpk= 2612, nxpk= 20, iat= 730, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 ARG HA 49 ILE HB 6.50 (# 2613:20 Unique 4.69, 4.84 A)
&rst
ixpk= 2613, nxpk= 20, iat= 708, 734, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 50 MET HN 49 ILE QD1 5.50 (# 2614:20 Unique 4.43, 5.26 A)
&rst
ixpk= 2614, nxpk= 20, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 743, 744, 745,
&end
#
# 27 ALA HN 49 ILE QD1 6.50 (# 2616:20 Unique 3.79, 5.89 A)
&rst
ixpk= 2616, nxpk= 20, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 743, 744, 745,
&end
#
# 76 TRP HH2 49 ILE QD1 6.50 (# 2617:20 Unique 2.35, 5.01 A)
&rst
ixpk= 2617, nxpk= 20, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 743, 744, 745,
&end
#
# 27 ALA HA 49 ILE QD1 6.50 (# 2618:20 Unique 4.08, 6.38 A)
&rst
ixpk= 2618, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 743, 744, 745,
&end
#
# 72 SER HB+ 49 ILE QD1 6.50 (# 2619:20 Unique 2.45, 7.12 A)
&rst
ixpk= 2619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1090,1091,
igr2= 743, 744, 745,
&end
#
# 38 VAL MGX 49 ILE QD1 4.50 (# 2620:20 Unique 4.38, 8.03 A)
&rst
ixpk= 2620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 565, 566, 567, 569, 570, 571,
igr2= 743, 744, 745,
&end
#
# 40 ILE QG2 49 ILE QD1 5.50 (# 2621:20 Unique 2.22, 4.41 A)
&rst
ixpk= 2621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 588, 589, 590,
igr2= 743, 744, 745,
&end
#
# 49 ILE HN 49 ILE QG2 5.50 (# 2622:20 Unique 4.47, 4.69 A)
&rst
ixpk= 2622, nxpk= 20, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 736, 737, 738,
&end
#
# 0 AMB 20-2:2623 49 ILE QG2 5.50 (# 2623:20 Single Ambig)
&rst
ixpk= 2623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 976, 995,
igr2= 736, 737, 738,
&end
#
# 27 ALA HA 49 ILE QG2 5.50 (# 2625:20 Unique 3.29, 4.78 A)
&rst
ixpk= 2625, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 736, 737, 738,
&end
#
# 51 VAL MGY 50 MET HA 5.50 (# 2628:20 Unique 3.22, 4.75 A)
&rst
ixpk= 2628, nxpk= 20, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 772, 773, 774, 776, 777, 778,
&end
#
# 64 LEU MDY 50 MET HB+ 5.50 (# 2629:20 Unique 6.07, 8.48 A)
&rst
ixpk= 2629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 985, 986, 987, 989, 990, 991,
igr2= 753, 754,
&end
#
# 50 MET HN 50 MET HG+ 5.50 (# 2632:20 Unique 3.05, 3.65 A)
&rst
ixpk= 2632, nxpk= 20, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 756, 757,
&end
#
# 50 MET HN 50 MET HG- 5.50 (# 2633:20 Unique 3.05, 3.65 A)
&rst
ixpk= 2633, nxpk= 20, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 756, 757,
&end
#
# 50 MET HA 50 MET HG- 5.50 (# 2636:20 Unique 2.39, 2.76 A)
&rst
ixpk= 2636, nxpk= 20, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 756, 757,
&end
#
# 62 VAL HN 50 MET ME 5.50 (# 2637:20 Unique 3.44, 4.84 A)
&rst
ixpk= 2637, nxpk= 20, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 760, 761, 762,
&end
#
# 61 TRP HN 50 MET ME 6.50 (# 2638:20 Unique 5.42, 6.29 A)
&rst
ixpk= 2638, nxpk= 20, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 760, 761, 762,
&end
#
# 94 GLN HA 50 MET ME 5.50 (# 2640:20 Unique 2.39, 3.57 A)
&rst
ixpk= 2640, nxpk= 20, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 760, 761, 762,
&end
#
# 62 VAL MGY 50 MET ME 6.50 (# 2641:20 Unique 5.76, 7.51 A)
&rst
ixpk= 2641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
igr1= 952, 953, 954, 956, 957, 958,
igr2= 760, 761, 762,
&end
#
# 51 VAL HN 51 VAL HA 5.50 (# 2642:20 Unique 2.97, 2.99 A)
&rst
ixpk= 2642, nxpk= 20, iat= 766, 768, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 GLY HN 51 VAL HA 5.50 (# 2643:20 Unique 3.32, 3.55 A)
&rst
ixpk= 2643, nxpk= 20, iat= 575, 768, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 VAL HN 51 VAL MGY 5.50 (# 2647:20 Unique 2.18, 3.64 A)
&rst
ixpk= 2647, nxpk= 20, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 772, 773, 774, 776, 777, 778,
&end
#
# 52 PRO HG+ 52 PRO HA 5.50 (# 2651:20 Unique 2.64, 3.52 A)
&rst
ixpk= 2651, nxpk= 20, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 786, 787,
&end
#
# 52 PRO HG- 52 PRO HA 3.50 (# 2652:20 Unique 2.64, 3.52 A)
&rst
ixpk= 2652, nxpk= 20, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 786, 787,
&end
#
# 52 PRO HD- 52 PRO HB- 6.50 (# 2653:20 Unique 2.61, 3.64 A)
&rst
ixpk= 2653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 783, 784,
igr2= 789, 790,
&end
#
# 52 PRO HA 52 PRO HB+ 5.50 (# 2654:20 Unique 2.26, 2.66 A)
&rst
ixpk= 2654, nxpk= 20, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 789, 790,
&end
#
# 52 PRO HA 52 PRO HB- 4.50 (# 2655:20 Unique 2.26, 2.66 A)
&rst
ixpk= 2655, nxpk= 20, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 789, 790,
&end
#
# 52 PRO HD+ 52 PRO HB- 5.50 (# 2656:20 Unique 2.61, 3.64 A)
&rst
ixpk= 2656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 783, 784,
igr2= 789, 790,
&end
#
# 52 PRO HD+ 52 PRO HB+ 6.50 (# 2657:20 Unique 2.61, 3.64 A)
&rst
ixpk= 2657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 783, 784,
igr2= 789, 790,
&end
#
# 52 PRO HG+ 52 PRO HB- 3.50 (# 2658:20 Unique 2.23, 2.63 A)
&rst
ixpk= 2658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 786, 787,
igr2= 789, 790,
&end
#
# 0 AMB 20-2:2659 0 AMB 20-1:2659 6.50 (# 2659:20 Double Ambig)
&rst
ixpk= 2659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.39, r4=12.89,
igr1= 500, 501, 502, 504, 505, 506, 985, 986, 987, 989,
990, 991,
igr2= 789, 790, 789, 790,
&end
#
# 52 PRO HD- 52 PRO HG- 5.50 (# 2660:20 Unique 2.30, 2.60 A)
&rst
ixpk= 2660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 783, 784,
igr2= 786, 787,
&end
#
# 52 PRO HD+ 52 PRO HG- 5.50 (# 2661:20 Unique 2.30, 2.60 A)
&rst
ixpk= 2661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 783, 784,
igr2= 786, 787,
&end
#
# 52 PRO HD- 52 PRO HG+ 4.50 (# 2662:20 Unique 2.30, 2.60 A)
&rst
ixpk= 2662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 783, 784,
igr2= 786, 787,
&end
#
# 51 VAL HB 52 PRO HG+ 6.50 (# 2663:20 Unique 2.93, 4.80 A)
&rst
ixpk= 2663, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 786, 787,
&end
#
# 132 LEU MDX 132 LEU HG 2.80 (# 2664:20 Unique 2.39, 2.65 A)
&rst
ixpk= 2664, nxpk= 20, iat= -1,1987, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1989,1990,1991,1993,1994,1995,
&end
#
# 52 PRO HB+ 52 PRO HD- 5.50 (# 2671:20 Unique 2.61, 3.64 A)
&rst
ixpk= 2671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 789, 790,
igr2= 783, 784,
&end
#
# 52 PRO HB+ 52 PRO HD+ 4.50 (# 2672:20 Unique 2.61, 3.64 A)
&rst
ixpk= 2672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 789, 790,
igr2= 783, 784,
&end
#
# 54 LYS HN 54 LYS HB+ 6.50 (# 2673:20 Unique 2.34, 2.67 A)
&rst
ixpk= 2673, nxpk= 20, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 807, 808,
&end
#
# 54 LYS HA 54 LYS HE+ 5.50 (# 2675:20 Unique 2.15, 4.96 A)
&rst
ixpk= 2675, nxpk= 20, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 816, 817,
&end
#
# 55 THR HB 54 LYS HE+ 6.50 (# 2676:20 Unique 3.83, 6.17 A)
&rst
ixpk= 2676, nxpk= 20, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 816, 817,
&end
#
# 56 PRO HD- 54 LYS HE+ 6.50 (# 2677:20 Unique 6.02, 8.18 A)
&rst
ixpk= 2677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 840, 841,
igr2= 816, 817,
&end
#
# 56 PRO HD+ 54 LYS HE+ 6.50 (# 2678:20 Unique 6.02, 8.18 A)
&rst
ixpk= 2678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 840, 841,
igr2= 816, 817,
&end
#
# 0 AMB 20-2:2681 55 THR HB 5.50 (# 2681:20 Single Ambig)
&rst
ixpk= 2681, nxpk= 20, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 843, 844, 843, 844,
&end
#
# 0 AMB 20-2:2682 0 AMB 20-1:2682 5.50 (# 2682:20 Double Ambig)
&rst
ixpk= 2682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2107, 825,
igr2=2034,2035,2036, 831, 832, 833,
&end
#
# 0 AMB 20-2:2684 55 THR MG2 3.50 (# 2684:20 Single Ambig)
&rst
ixpk= 2684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 905, 906, 905, 906,
igr2= 831, 832, 833,
&end
#
# 56 PRO HA 56 PRO HB- 3.50 (# 2685:20 Unique 2.27, 2.53 A)
&rst
ixpk= 2685, nxpk= 20, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 846, 847,
&end
#
# 84 LEU MDY 89 PRO HD- 5.50 (# 2687:20 Unique 2.73, 7.15 A)
&rst
ixpk= 2687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1281,1282,1283,1285,1286,1287,
igr2=1365,1366,
&end
#
# 84 LEU HB- 89 PRO HD- 6.50 (# 2688:20 Unique 3.04, 5.44 A)
&rst
ixpk= 2688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1276,1277,
igr2=1365,1366,
&end
#
# 0 AMB 20-2:2692 60 ARG HA 6.50 (# 2692:20 Single Ambig)
&rst
ixpk= 2692, nxpk= 20, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 908, 909, 908, 909,
&end
#
# 60 ARG HN 60 ARG HB+ 5.50 (# 2693:20 Unique 2.17, 3.04 A)
&rst
ixpk= 2693, nxpk= 20, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 902, 903,
&end
#
# 60 ARG HN 60 ARG HB- 5.50 (# 2694:20 Unique 2.17, 3.04 A)
&rst
ixpk= 2694, nxpk= 20, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 902, 903,
&end
#
# 61 TRP HN 60 ARG HB- 4.50 (# 2696:20 Unique 3.63, 4.14 A)
&rst
ixpk= 2696, nxpk= 20, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 902, 903,
&end
#
# 0 AMB 20-2:2698 0 AMB 20-1:2698 4.50 (# 2698:20 Double Ambig)
&rst
ixpk= 2698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 831, 832, 833, 835,
igr2= 905, 906, 905, 906, 905, 906,
&end
#
# 61 TRP HN 0 AMB 20-1:2699 5.50 (# 2699:20 Single Ambig)
&rst
ixpk= 2699, nxpk= 20, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 908, 909, 908, 909,
&end
#
# 60 ARG HA 0 AMB 20-1:2700 4.50 (# 2700:20 Single Ambig)
&rst
ixpk= 2700, nxpk= 20, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 908, 909, 908, 909,
&end
#
# 0 AMB 20-2:2701 0 AMB 20-1:2701 3.50 (# 2701:20 Double Ambig)
&rst
ixpk= 2701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 905, 906, 905, 906, 905, 906,
igr2= 908, 909, 908, 909, 908, 909,
&end
#
# 26 LEU MDY 30 ARG HD+ 5.50 (# 2702:20 Unique 2.40, 5.98 A)
&rst
ixpk= 2702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 392, 393, 394, 396, 397, 398,
igr2= 453, 454,
&end
#
# 62 VAL HN 61 TRP HA 5.50 (# 2703:20 Unique 2.05, 2.14 A)
&rst
ixpk= 2703, nxpk= 20, iat= 946, 924, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 VAL HN 61 TRP HB- 6.50 (# 2704:20 Unique 2.75, 3.49 A)
&rst
ixpk= 2704, nxpk= 20, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 926, 927,
&end
#
# 61 TRP HN 61 TRP HB- 4.50 (# 2705:20 Unique 2.36, 3.13 A)
&rst
ixpk= 2705, nxpk= 20, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 926, 927,
&end
#
# 61 TRP HN 61 TRP HB+ 6.50 (# 2706:20 Unique 2.36, 3.13 A)
&rst
ixpk= 2706, nxpk= 20, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 926, 927,
&end
#
# 61 TRP HD1 61 TRP HB- 5.50 (# 2707:20 Unique 2.52, 3.10 A)
&rst
ixpk= 2707, nxpk= 20, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 926, 927,
&end
#
# 61 TRP HA 61 TRP HB+ 6.50 (# 2708:20 Unique 2.50, 2.78 A)
&rst
ixpk= 2708, nxpk= 20, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 926, 927,
&end
#
# 50 MET ME 61 TRP HB- 5.50 (# 2710:20 Unique 2.14, 3.57 A)
&rst
ixpk= 2710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 760, 761, 762,
igr2= 926, 927,
&end
#
# 0 AMB 20-2:2712 0 AMB 20-1:2712 5.50 (# 2712:20 Double Ambig)
&rst
ixpk= 2712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1402,1658,
igr2=1434,1435,1315,1316,1315,1316,
&end
#
# 94 GLN HN 94 GLN HG- 5.50 (# 2713:20 Unique 2.55, 2.92 A)
&rst
ixpk= 2713, nxpk= 20, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1434,1435,
&end
#
# 96 GLN HE2- 94 GLN HG- 4.50 (# 2714:20 Unique 3.64, 5.73 A)
&rst
ixpk= 2714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1470,1471,
igr2=1434,1435,
&end
#
# 65 GLN HE2+ 65 GLN HG+ 5.50 (# 2715:20 Unique 2.21, 3.28 A)
&rst
ixpk= 2715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1007,1008,
igr2=1002,1003,
&end
#
# 60 ARG HA 62 VAL MGX 6.50 (# 2718:20 Unique 5.95, 8.24 A)
&rst
ixpk= 2718, nxpk= 20, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 0 AMB 20-2:2720 62 VAL MGY 4.50 (# 2720:20 Single Ambig)
&rst
ixpk= 2720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 978, 792,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 0 AMB 20-2:2721 62 VAL MGY 6.50 (# 2721:20 Single Ambig)
&rst
ixpk= 2721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.04, r4=11.54,
igr1= 532, 533, 447, 448,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 50 MET HA 63 PRO HB- 6.50 (# 2722:20 Unique 4.55, 5.15 A)
&rst
ixpk= 2722, nxpk= 20, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 969, 970,
&end
#
# 50 MET HA 63 PRO HB+ 5.50 (# 2723:20 Unique 4.55, 5.15 A)
&rst
ixpk= 2723, nxpk= 20, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 969, 970,
&end
#
# 63 PRO HA 64 LEU HA 5.50 (# 2725:20 Unique 4.24, 4.35 A)
&rst
ixpk= 2725, nxpk= 20, iat= 972, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ILE HB 64 LEU HB+ 4.50 (# 2727:20 Unique 2.18, 2.83 A)
&rst
ixpk= 2727, nxpk= 20, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 980, 981,
&end
#
# 65 GLN HN 64 LEU HG 5.50 (# 2728:20 Unique 3.00, 4.48 A)
&rst
ixpk= 2728, nxpk= 20, iat= 995, 983, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 LEU HB+ 64 LEU HG 3.50 (# 2730:20 Unique 2.25, 2.67 A)
&rst
ixpk= 2730, nxpk= 20, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 980, 981,
&end
#
# 20 PHE HD 26 LEU MDX 6.50 (# 2731:20 Unique 7.43,11.27 A)
&rst
ixpk= 2731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1= 303, 311,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 0 AMB 20-2:2738 0 AMB 20-1:2738 4.50 (# 2738:20 Double Ambig)
&rst
ixpk= 2738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1824,1825,1826,1828,1829,1830, 985, 986, 987, 989,
990, 991,
igr2=1790,1791, 999,1000,
&end
#
# 64 LEU HN 65 GLN HG- 5.50 (# 2739:20 Unique 4.01, 5.84 A)
&rst
ixpk= 2739, nxpk= 20, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1002,1003,
&end
#
# 87 PHE HN 0 AMB 20-1:2740 5.50 (# 2740:20 Single Ambig)
&rst
ixpk= 2740, nxpk= 20, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1298,1299,1298,1299,
&end
#
# 66 GLU HN 66 GLU HA 3.50 (# 2741:20 Unique 2.24, 2.83 A)
&rst
ixpk= 2741, nxpk= 20, iat=1012,1014, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 GLU HB- 0 AMB 20-1:2750 5.50 (# 2750:20 Single Ambig)
&rst
ixpk= 2750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1075,1076,
igr2=1043,1044,1045,1053,1054,1055,
&end
#
# 0 AMB 20-2:2751 69 ALA HA 5.50 (# 2751:20 Single Ambig)
&rst
ixpk= 2751, nxpk= 20, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 999,1000,1016,1017,
&end
#
# 0 AMB 20-2:2752 68 ALA HA 6.50 (# 2752:20 Single Ambig)
&rst
ixpk= 2752, nxpk= 20, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1075,1076, 999,1000,
&end
#
# 0 AMB 20-2:2756 0 AMB 20-1:2756 5.50 (# 2756:20 Double Ambig)
&rst
ixpk= 2756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.17, r4=10.67,
igr1=1078,1079,1078,1079,1019,1020,1019,1020,1002,1003,
igr2=1063,1064,1031,1032,
&end
#
# 0 AMB 20-2:2762 72 SER HB- 5.50 (# 2762:20 Single Ambig)
&rst
ixpk= 2762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1002,1003, 969, 970,
igr2=1090,1091,
&end
#
# 0 AMB 20-2:2763 0 AMB 20-1:2763 5.50 (# 2763:20 Double Ambig)
&rst
ixpk= 2763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1002,1003, 969, 970,
igr2=1090,1091,1090,1091,
&end
#
# 0 AMB 20-2:2765 72 SER HB- 4.50 (# 2765:20 Single Ambig)
&rst
ixpk= 2765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 980, 981, 740, 741,
igr2=1090,1091,
&end
#
# 125 VAL MGY 127 SER HB+ 5.50 (# 2766:20 Unique 4.30, 7.67 A)
&rst
ixpk= 2766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1892,1893,1894,1896,1897,1898,
igr2=1917,1918,
&end
#
# 0 AMB 20-2:2767 0 AMB 20-1:2767 6.50 (# 2767:20 Double Ambig)
&rst
ixpk= 2767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.81, r4=12.31,
igr1= 985, 986, 987, 989, 990, 991, 743, 744, 745,
igr2=1090,1091,1090,1091,
&end
#
# 65 GLN HB+ 72 SER HB+ 4.50 (# 2768:20 Unique 2.44, 5.61 A)
&rst
ixpk= 2768, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 999,1000,
igr2=1090,1091,
&end
#
# 0 AMB 20-2:2769 0 AMB 20-1:2769 5.50 (# 2769:20 Double Ambig)
&rst
ixpk= 2769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 980, 981, 740, 741, 710, 711,
igr2=1090,1091,1090,1091,1090,1091,
&end
#
# 108 PHE HE 126 CYS HB+ 5.50 (# 2771:20 Unique 2.89, 4.71 A)
&rst
ixpk= 2771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1648,1652,
igr2=1906,1907,
&end
#
# 93 ASN HB- 93 ASN HA 4.50 (# 2777:20 Unique 2.38, 2.72 A)
&rst
ixpk= 2777, nxpk= 20, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1417,1418,
&end
#
# 0 AMB 20-2:2778 0 AMB 20-1:2778 4.50 (# 2778:20 Double Ambig)
&rst
ixpk= 2778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 760, 761, 762, 710, 711,
igr2=1415,1116,
&end
#
# 78 GLU HN 77 ASP HB- 4.50 (# 2779:20 Unique 2.36, 3.55 A)
&rst
ixpk= 2779, nxpk= 20, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1168,1169,
&end
#
# 77 ASP HA 77 ASP HB- 3.50 (# 2781:20 Unique 2.23, 2.68 A)
&rst
ixpk= 2781, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1168,1169,
&end
#
# 112 MET ME 77 ASP HB- 5.50 (# 2782:20 Unique 6.07, 7.53 A)
&rst
ixpk= 2782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1718,1719,1720,
igr2=1168,1169,
&end
#
# 77 ASP HA 78 GLU HG+ 5.50 (# 2786:20 Unique 3.85, 4.91 A)
&rst
ixpk= 2786, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1183,1184,
&end
#
# 77 ASP HA 78 GLU HG- 4.50 (# 2787:20 Unique 3.85, 4.91 A)
&rst
ixpk= 2787, nxpk= 20, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1183,1184,
&end
#
# 80 LEU HN 79 GLU HA 3.50 (# 2788:20 Unique 2.87, 3.08 A)
&rst
ixpk= 2788, nxpk= 20, iat=1206,1193, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 115 ALA HN 79 GLU HB- 6.50 (# 2790:20 Unique 3.29, 4.47 A)
&rst
ixpk= 2790, nxpk= 20, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1195,1196,
&end
#
# 0 AMB 20-2:2791 0 AMB 20-1:2791 6.50 (# 2791:20 Double Ambig)
&rst
ixpk= 2791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
igr1=1748,1176,
igr2=1195,1196,1195,1196,
&end
#
# 79 GLU HA 79 GLU HB+ 3.50 (# 2792:20 Unique 2.38, 2.68 A)
&rst
ixpk= 2792, nxpk= 20, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1195,1196,
&end
#
# 79 GLU HA 79 GLU HB- 3.50 (# 2793:20 Unique 2.38, 2.68 A)
&rst
ixpk= 2793, nxpk= 20, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1195,1196,
&end
#
# 9 ALA HA 79 GLU HB- 5.50 (# 2794:20 Unique 2.35, 3.67 A)
&rst
ixpk= 2794, nxpk= 20, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1195,1196,
&end
#
# 80 LEU MDX 79 GLU HB- 6.50 (# 2795:20 Unique 2.67, 6.26 A)
&rst
ixpk= 2795, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1=1215,1216,1217,1219,1220,1221,
igr2=1195,1196,
&end
#
# 0 AMB 20-2:2796 79 GLU HB- 6.50 (# 2796:20 Single Ambig)
&rst
ixpk= 2796, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.09, r4=10.59,
igr1=1213, 116, 117, 118, 120, 121, 122,
igr2=1195,1196,
&end
#
# 0 AMB 20-2:2799 0 AMB 20-1:2799 3.50 (# 2799:20 Double Ambig)
&rst
ixpk= 2799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1195,1196, 171, 172,
igr2=1198,1199,1198,1199,
&end
#
# 0 AMB 20-2:2800 79 GLU HG- 3.50 (# 2800:20 Single Ambig)
&rst
ixpk= 2800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1195,1196, 171, 172,
igr2=1198,1199,
&end
#
# 81 SER HN 80 LEU HB- 5.50 (# 2803:20 Unique 2.37, 3.35 A)
&rst
ixpk= 2803, nxpk= 20, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1210,1211,
&end
#
# 80 LEU HG 80 LEU HB- 4.50 (# 2807:20 Unique 2.30, 2.65 A)
&rst
ixpk= 2807, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1210,1211,
&end
#
# 80 LEU HG 80 LEU HB+ 4.50 (# 2808:20 Unique 2.30, 2.65 A)
&rst
ixpk= 2808, nxpk= 20, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1210,1211,
&end
#
# 0 AMB 20-2:2809 80 LEU HG 5.50 (# 2809:20 Single Ambig)
&rst
ixpk= 2809, nxpk= 20, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 237, 164,
&end
#
# 80 LEU HA 80 LEU HG 5.50 (# 2810:20 Unique 3.06, 3.37 A)
&rst
ixpk= 2810, nxpk= 20, iat=1208,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG HD- 80 LEU HG 6.50 (# 2812:20 Unique 4.60, 5.99 A)
&rst
ixpk= 2812, nxpk= 20, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 174, 175,
&end
#
# 9 ALA HA 80 LEU MDX 5.50 (# 2814:20 Unique 2.26, 4.49 A)
&rst
ixpk= 2814, nxpk= 20, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1215,1216,1217,1219,1220,1221,
&end
#
# 82 ILE QD1 80 LEU MDX 5.50 (# 2815:20 Unique 2.53, 5.06 A)
&rst
ixpk= 2815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1249,1250,1251,
igr2=1215,1216,1217,1219,1220,1221,
&end
#
# 0 AMB 20-2:2816 0 AMB 20-1:2816 5.50 (# 2816:20 Double Ambig)
&rst
ixpk= 2816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 237,2011, 222,
igr2=1215,1216,1217,1219,1220,1221,1876,1877,1878,1880,
1881,1882,
&end
#
# 80 LEU HB+ 81 SER HA 6.50 (# 2817:20 Unique 4.02, 4.51 A)
&rst
ixpk= 2817, nxpk= 20, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1210,1211,
&end
#
# 113 ALA HN 82 ILE HA 6.50 (# 2819:20 Unique 3.29, 3.65 A)
&rst
ixpk= 2819, nxpk= 20, iat=1724,1238, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 82 ILE HB 82 ILE HA 5.50 (# 2820:20 Unique 2.96, 2.97 A)
&rst
ixpk= 2820, nxpk= 20, iat=1240,1238, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 LEU MDX 82 ILE HA 5.50 (# 2821:20 Unique 3.88, 5.98 A)
&rst
ixpk= 2821, nxpk= 20, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1678,1679,1680,1682,1683,1684,
&end
#
# 82 ILE HG1- 82 ILE HA 6.50 (# 2822:20 Unique 2.32, 3.00 A)
&rst
ixpk= 2822, nxpk= 20, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1246,1247,
&end
#
# 83 HIS HN 82 ILE HB 6.50 (# 2823:20 Unique 4.20, 4.33 A)
&rst
ixpk= 2823, nxpk= 20, iat=1255,1240, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 0 AMB 20-2:2824 82 ILE HB 6.50 (# 2824:20 Single Ambig)
&rst
ixpk= 2824, nxpk= 20, iat= -1,1240, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1229,1230,1229,1230,
&end
#
# 111 LEU HN 82 ILE QD1 6.50 (# 2826:20 Unique 6.27, 7.18 A)
&rst
ixpk= 2826, nxpk= 20, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1249,1250,1251,
&end
#
# 82 ILE HN 82 ILE QD1 5.50 (# 2827:20 Unique 3.16, 3.92 A)
&rst
ixpk= 2827, nxpk= 20, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1249,1250,1251,
&end
#
# 0 AMB 20-2:2831 82 ILE QG2 6.50 (# 2831:20 Single Ambig)
&rst
ixpk= 2831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1157,1268,
igr2=1242,1243,1244,
&end
#
# 0 AMB 20-2:2832 82 ILE QG2 5.50 (# 2832:20 Single Ambig)
&rst
ixpk= 2832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 620,1709,
igr2=1242,1243,1244,
&end
#
# 112 MET HG- 82 ILE QG2 5.50 (# 2833:20 Unique 4.16, 5.87 A)
&rst
ixpk= 2833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1714,1715,
igr2=1242,1243,1244,
&end
#
# 112 MET ME 82 ILE QG2 6.50 (# 2834:20 Unique 4.99, 7.27 A)
&rst
ixpk= 2834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.37, r4= 9.87,
igr1=1718,1719,1720,
igr2=1242,1243,1244,
&end
#
# 0 AMB 20-2:2835 82 ILE QG2 5.50 (# 2835:20 Single Ambig)
&rst
ixpk= 2835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=1876,1877,1878,1880,1881,1882,1215,1216,1217,1219,
1220,1221,1481,1482,1483,1485,1486,1487,
igr2=1242,1243,1244,
&end
#
# 83 HIS HN 83 HIS HB+ 4.50 (# 2837:20 Unique 2.59, 3.30 A)
&rst
ixpk= 2837, nxpk= 20, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1259,1260,
&end
#
# 84 LEU HN 83 HIS HB- 6.50 (# 2838:20 Unique 2.68, 3.74 A)
&rst
ixpk= 2838, nxpk= 20, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1259,1260,
&end
#
# 111 LEU HB+ 83 HIS HB+ 5.50 (# 2839:20 Unique 2.17, 3.83 A)
&rst
ixpk= 2839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1692,1693,
igr2=1259,1260,
&end
#
# 111 LEU HB+ 83 HIS HB- 5.50 (# 2840:20 Unique 2.17, 3.83 A)
&rst
ixpk= 2840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1692,1693,
igr2=1259,1260,
&end
#
# 85 GLN HN 84 LEU HB+ 5.50 (# 2842:20 Unique 2.20, 3.78 A)
&rst
ixpk= 2842, nxpk= 20, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1276,1277,
&end
#
# 0 AMB 20-2:2847 84 LEU HG 3.50 (# 2847:20 Single Ambig)
&rst
ixpk= 2847, nxpk= 20, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1276,1277,1462,1463,
&end
#
# 110 LEU HN 84 LEU MDX 6.50 (# 2848:20 Unique 4.04, 6.48 A)
&rst
ixpk= 2848, nxpk= 20, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 0 AMB 20-2:2849 84 LEU MDX 5.50 (# 2849:20 Single Ambig)
&rst
ixpk= 2849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 620,1660,1690,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 89 PRO HD+ 84 LEU MDX 6.50 (# 2851:20 Unique 2.73, 7.15 A)
&rst
ixpk= 2851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1=1365,1366,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 0 AMB 20-2:2852 84 LEU MDX 5.50 (# 2852:20 Single Ambig)
&rst
ixpk= 2852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1298,1299,1298,1299,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 0 AMB 20-2:2853 84 LEU MDX 6.50 (# 2853:20 Single Ambig)
&rst
ixpk= 2853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.04, r4=11.54,
igr1= 622, 623,1465,1466,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 85 GLN HN 84 LEU MDY 6.50 (# 2854:20 Unique 1.92, 4.04 A)
&rst
ixpk= 2854, nxpk= 20, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 0 AMB 20-2:2856 84 LEU MDY 5.50 (# 2856:20 Single Ambig)
&rst
ixpk= 2856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1374,1293,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 0 AMB 20-2:2857 84 LEU MDY 6.50 (# 2857:20 Single Ambig)
&rst
ixpk= 2857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.04, r4=11.54,
igr1=1355,1356,1355,1356,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 84 LEU HB+ 85 GLN HA 4.50 (# 2858:20 Unique 4.12, 5.13 A)
&rst
ixpk= 2858, nxpk= 20, iat= -1,1293, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1276,1277,
&end
#
# 85 GLN HN 85 GLN HB+ 5.50 (# 2859:20 Unique 2.76, 3.44 A)
&rst
ixpk= 2859, nxpk= 20, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1295,1296,
&end
#
# 85 GLN HN 85 GLN HB- 4.50 (# 2860:20 Unique 2.76, 3.44 A)
&rst
ixpk= 2860, nxpk= 20, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1295,1296,
&end
#
# 0 AMB 20-2:2864 0 AMB 20-1:2864 5.50 (# 2864:20 Double Ambig)
&rst
ixpk= 2864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1303,1304,1303,1304,
igr2=1298,1299,1298,1299,
&end
#
# 87 PHE HD 86 PRO HD+ 5.50 (# 2865:20 Unique 2.39, 5.43 A)
&rst
ixpk= 2865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1330,1338,
igr2=1309,1310,
&end
#
# 87 PHE HN 86 PRO HD+ 5.50 (# 2867:20 Unique 2.56, 3.37 A)
&rst
ixpk= 2867, nxpk= 20, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1309,1310,
&end
#
# 87 PHE HN 86 PRO HD- 5.50 (# 2868:20 Unique 2.56, 3.37 A)
&rst
ixpk= 2868, nxpk= 20, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1309,1310,
&end
#
# 108 PHE HA 86 PRO HD+ 5.50 (# 2869:20 Unique 2.00, 2.67 A)
&rst
ixpk= 2869, nxpk= 20, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1309,1310,
&end
#
# 108 PHE HA 86 PRO HD- 5.50 (# 2870:20 Unique 2.00, 2.67 A)
&rst
ixpk= 2870, nxpk= 20, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1309,1310,
&end
#
# 86 PRO HA 86 PRO HD+ 5.50 (# 2871:20 Unique 3.62, 3.86 A)
&rst
ixpk= 2871, nxpk= 20, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1309,1310,
&end
#
# 87 PHE HB- 87 PHE HA 6.50 (# 2874:20 Unique 2.26, 2.67 A)
&rst
ixpk= 2874, nxpk= 20, iat= -1,1324, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1326,1327,
&end
#
# 87 PHE HB+ 87 PHE HA 5.50 (# 2875:20 Unique 2.26, 2.67 A)
&rst
ixpk= 2875, nxpk= 20, iat= -1,1324, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1326,1327,
&end
#
# 96 GLN HA 87 PHE HB+ 6.50 (# 2876:20 Unique 2.76, 4.56 A)
&rst
ixpk= 2876, nxpk= 20, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1326,1327,
&end
#
# 96 GLN HA 87 PHE HB- 6.50 (# 2877:20 Unique 2.76, 4.56 A)
&rst
ixpk= 2877, nxpk= 20, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1326,1327,
&end
#
# 96 GLN HG+ 87 PHE HB- 6.50 (# 2878:20 Unique 2.19, 3.61 A)
&rst
ixpk= 2878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1465,1466,
igr2=1326,1327,
&end
#
# 0 AMB 20-2:2879 87 PHE HB- 6.50 (# 2879:20 Single Ambig)
&rst
ixpk= 2879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1=1315,1316,1315,1316,1434,1435,
igr2=1326,1327,
&end
#
# 0 AMB 20-2:2880 0 AMB 20-1:2880 6.50 (# 2880:20 Double Ambig)
&rst
ixpk= 2880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.81, r4=12.31,
igr1=1315,1316,1315,1316,1434,1435,
igr2=1326,1327,1326,1327,1326,1327,
&end
#
# 0 AMB 20-2:2881 87 PHE HB- 6.50 (# 2881:20 Single Ambig)
&rst
ixpk= 2881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
igr1=1352,1353,1346,1347,
igr2=1326,1327,
&end
#
# 88 LYS HD+ 87 PHE HB+ 5.50 (# 2882:20 Unique 3.41, 6.22 A)
&rst
ixpk= 2882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1352,1353,
igr2=1326,1327,
&end
#
# 88 LYS HN 88 LYS HA 6.50 (# 2885:20 Unique 2.36, 2.80 A)
&rst
ixpk= 2885, nxpk= 20, iat=1342,1344, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 89 PRO HD+ 88 LYS HB+ 4.50 (# 2886:20 Unique 2.30, 4.00 A)
&rst
ixpk= 2886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1365,1366,
igr2=1346,1347,
&end
#
# 87 PHE HB- 88 LYS HB+ 6.50 (# 2887:20 Unique 4.24, 6.22 A)
&rst
ixpk= 2887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1326,1327,
igr2=1346,1347,
&end
#
# 0 AMB 20-2:2888 88 LYS HB- 5.50 (# 2888:20 Single Ambig)
&rst
ixpk= 2888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1355,1356,1355,1356,
igr2=1346,1347,
&end
#
# 89 PRO HD+ 88 LYS HG+ 4.50 (# 2889:20 Unique 3.59, 5.37 A)
&rst
ixpk= 2889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1365,1366,
igr2=1349,1350,
&end
#
# 88 LYS HN 0 AMB 20-1:2893 5.50 (# 2893:20 Single Ambig)
&rst
ixpk= 2893, nxpk= 20, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1355,1356,1355,1356,
&end
#
# 84 LEU MDY 89 PRO HB- 6.50 (# 2899:20 Unique 2.40, 6.23 A)
&rst
ixpk= 2899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1=1281,1282,1283,1285,1286,1287,
igr2=1371,1372,
&end
#
# 84 LEU MDY 89 PRO HB+ 6.50 (# 2900:20 Unique 2.40, 6.23 A)
&rst
ixpk= 2900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1=1281,1282,1283,1285,1286,1287,
igr2=1371,1372,
&end
#
# 0 AMB 20-2:2901 0 AMB 20-1:2901 5.50 (# 2901:20 Double Ambig)
&rst
ixpk= 2901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 622, 623,1465,1466,
igr2=1371,1372,1371,1372,
&end
#
# 43 SER HA 89 PRO HB+ 5.50 (# 2902:20 Unique 2.42, 4.07 A)
&rst
ixpk= 2902, nxpk= 20, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1371,1372,
&end
#
# 84 LEU HN 89 PRO HB+ 5.50 (# 2903:20 Unique 1.92, 3.24 A)
&rst
ixpk= 2903, nxpk= 20, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1371,1372,
&end
#
# 84 LEU HN 89 PRO HB- 4.50 (# 2904:20 Unique 1.92, 3.24 A)
&rst
ixpk= 2904, nxpk= 20, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1371,1372,
&end
#
# 84 LEU MDY 89 PRO HD+ 5.50 (# 2905:20 Unique 2.73, 7.15 A)
&rst
ixpk= 2905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1281,1282,1283,1285,1286,1287,
igr2=1365,1366,
&end
#
# 43 SER HA 91 ASP HA 6.50 (# 2906:20 Unique 3.21, 4.40 A)
&rst
ixpk= 2906, nxpk= 20, iat= 640,1392, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 90 ASP HB- 91 ASP HA 5.50 (# 2907:20 Unique 4.85, 5.59 A)
&rst
ixpk= 2907, nxpk= 20, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1382,1383,
&end
#
# 50 MET ME 93 ASN HB- 6.50 (# 2917:20 Unique 4.45, 6.61 A)
&rst
ixpk= 2917, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 760, 761, 762,
igr2=1417,1418,
&end
#
# 61 TRP HD1 94 GLN HA 6.50 (# 2919:20 Unique 3.13, 3.62 A)
&rst
ixpk= 2919, nxpk= 20, iat= 930,1429, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 95 PRO HD- 94 GLN HA 4.50 (# 2920:20 Unique 2.38, 2.54 A)
&rst
ixpk= 2920, nxpk= 20, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1445,1446,
&end
#
# 95 PRO HG+ 94 GLN HA 5.50 (# 2921:20 Unique 4.55, 4.68 A)
&rst
ixpk= 2921, nxpk= 20, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1448,1449,
&end
#
# 94 GLN HE2+ 95 PRO HA 5.50 (# 2925:20 Unique 4.85, 5.87 A)
&rst
ixpk= 2925, nxpk= 20, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1439,1440,
&end
#
# 41 HIS HD2 95 PRO HA 5.50 (# 2926:20 Unique 3.26, 3.80 A)
&rst
ixpk= 2926, nxpk= 20, iat= 614,1454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2928 95 PRO HA 5.50 (# 2928:20 Single Ambig)
&rst
ixpk= 2928, nxpk= 20, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1448,1449,1462,1463,
&end
#
# 42 PHE HN 95 PRO HB- 5.50 (# 2929:20 Unique 5.69, 6.11 A)
&rst
ixpk= 2929, nxpk= 20, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1451,1452,
&end
#
# 61 TRP HZ2 95 PRO HB- 6.50 (# 2930:20 Unique 5.02, 5.66 A)
&rst
ixpk= 2930, nxpk= 20, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1451,1452,
&end
#
# 98 VAL HA 95 PRO HB+ 6.50 (# 2932:20 Unique 4.09, 4.97 A)
&rst
ixpk= 2932, nxpk= 20, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1451,1452,
&end
#
# 95 PRO HA 95 PRO HB+ 4.50 (# 2934:20 Unique 2.28, 2.52 A)
&rst
ixpk= 2934, nxpk= 20, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1451,1452,
&end
#
# 95 PRO HB+ 95 PRO HG+ 5.50 (# 2935:20 Unique 2.35, 2.64 A)
&rst
ixpk= 2935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1451,1452,
igr2=1448,1449,
&end
#
# 95 PRO HD- 95 PRO HG- 5.50 (# 2937:20 Unique 2.29, 2.60 A)
&rst
ixpk= 2937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1445,1446,
igr2=1448,1449,
&end
#
# 95 PRO HG+ 95 PRO HD- 6.50 (# 2938:20 Unique 2.29, 2.60 A)
&rst
ixpk= 2938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1448,1449,
igr2=1445,1446,
&end
#
# 95 PRO HG- 95 PRO HD- 6.50 (# 2939:20 Unique 2.29, 2.60 A)
&rst
ixpk= 2939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1448,1449,
igr2=1445,1446,
&end
#
# 95 PRO HG- 95 PRO HD+ 5.50 (# 2940:20 Unique 2.29, 2.60 A)
&rst
ixpk= 2940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1448,1449,
igr2=1445,1446,
&end
#
# 87 PHE HZ 96 GLN HA 5.50 (# 2942:20 Unique 4.31, 5.46 A)
&rst
ixpk= 2942, nxpk= 20, iat=1334,1460, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 PHE HB+ 96 GLN HA 6.50 (# 2943:20 Unique 2.76, 4.56 A)
&rst
ixpk= 2943, nxpk= 20, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1326,1327,
&end
#
# 96 GLN HN 96 GLN HB- 6.50 (# 2944:20 Unique 2.22, 3.01 A)
&rst
ixpk= 2944, nxpk= 20, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1462,1463,
&end
#
# 96 GLN HN 96 GLN HB+ 6.50 (# 2945:20 Unique 2.22, 3.01 A)
&rst
ixpk= 2945, nxpk= 20, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1462,1463,
&end
#
# 94 GLN HE2+ 96 GLN HB- 6.50 (# 2946:20 Unique 5.51, 6.71 A)
&rst
ixpk= 2946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1439,1440,
igr2=1462,1463,
&end
#
# 61 TRP HZ2 95 PRO HG+ 5.50 (# 2947:20 Unique 3.15, 3.58 A)
&rst
ixpk= 2947, nxpk= 20, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1448,1449,
&end
#
# 96 GLN HA 96 GLN HB- 4.50 (# 2948:20 Unique 2.34, 2.79 A)
&rst
ixpk= 2948, nxpk= 20, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1462,1463,
&end
#
# 96 GLN HA 96 GLN HB+ 4.50 (# 2949:20 Unique 2.34, 2.79 A)
&rst
ixpk= 2949, nxpk= 20, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1462,1463,
&end
#
# 96 GLN HN 96 GLN HG+ 6.50 (# 2950:20 Unique 2.29, 4.02 A)
&rst
ixpk= 2950, nxpk= 20, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1465,1466,
&end
#
# 96 GLN HE2- 0 AMB 20-1:2951 5.50 (# 2951:20 Single Ambig)
&rst
ixpk= 2951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1470,1471,
igr2=1465,1466,1465,1466,
&end
#
# 96 GLN HA 96 GLN HG- 5.50 (# 2952:20 Unique 2.31, 3.03 A)
&rst
ixpk= 2952, nxpk= 20, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1465,1466,
&end
#
# 106 THR HN 97 VAL HA 5.50 (# 2953:20 Unique 4.48, 4.77 A)
&rst
ixpk= 2953, nxpk= 20, iat=1610,1477, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ILE HB 97 VAL HA 6.50 (# 2954:20 Unique 5.15, 5.27 A)
&rst
ixpk= 2954, nxpk= 20, iat= 586,1477, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 105 ILE QG2 97 VAL HA 5.50 (# 2955:20 Unique 4.67, 5.59 A)
&rst
ixpk= 2955, nxpk= 20, iat= -1,1477, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1597,1598,1599,
&end
#
# 40 ILE HG1- 97 VAL HB 4.50 (# 2956:20 Unique 3.56, 4.51 A)
&rst
ixpk= 2956, nxpk= 20, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 592, 593,
&end
#
# 40 ILE QG2 97 VAL HB 5.50 (# 2957:20 Unique 3.99, 4.67 A)
&rst
ixpk= 2957, nxpk= 20, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 588, 589, 590,
&end
#
# 105 ILE QG2 97 VAL MGY 4.50 (# 2958:20 Unique 2.70, 4.98 A)
&rst
ixpk= 2958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1597,1598,1599,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 40 ILE QG2 97 VAL MGY 5.50 (# 2959:20 Unique 4.70, 6.34 A)
&rst
ixpk= 2959, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 588, 589, 590,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 99 ILE HB 98 VAL HA 5.50 (# 2962:20 Unique 4.26, 4.34 A)
&rst
ixpk= 2962, nxpk= 20, iat=1511,1493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 ILE QD1 98 VAL HA 6.50 (# 2963:20 Unique 2.33, 3.52 A)
&rst
ixpk= 2963, nxpk= 20, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1=1520,1521,1522,
&end
#
# 59 TRP HH2 98 VAL MGY 4.50 (# 2964:20 Unique 2.45, 4.78 A)
&rst
ixpk= 2964, nxpk= 20, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1497,1498,1499,1501,1502,1503,
&end
#
# 100 LEU HA 99 ILE HB 5.50 (# 2965:20 Unique 4.94, 5.03 A)
&rst
ixpk= 2965, nxpk= 20, iat=1528,1511, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ALA MB 99 ILE HB 4.50 (# 2966:20 Unique 2.82, 4.10 A)
&rst
ixpk= 2966, nxpk= 20, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 471, 472, 473,
&end
#
# 99 ILE HN 99 ILE HG1- 5.50 (# 2967:20 Unique 3.59, 4.00 A)
&rst
ixpk= 2967, nxpk= 20, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1517,1518,
&end
#
# 105 ILE HA 99 ILE HG1+ 5.50 (# 2968:20 Unique 3.67, 4.60 A)
&rst
ixpk= 2968, nxpk= 20, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1517,1518,
&end
#
# 105 ILE HA 99 ILE HG1- 5.50 (# 2969:20 Unique 3.67, 4.60 A)
&rst
ixpk= 2969, nxpk= 20, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1517,1518,
&end
#
# 105 ILE QG2 99 ILE HG1- 3.50 (# 2970:20 Unique 2.16, 3.98 A)
&rst
ixpk= 2970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1597,1598,1599,
igr2=1517,1518,
&end
#
# 38 VAL HN 99 ILE QD1 5.50 (# 2972:20 Unique 4.31, 5.17 A)
&rst
ixpk= 2972, nxpk= 20, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1520,1521,1522,
&end
#
# 0 AMB 20-2:2973 99 ILE QD1 5.50 (# 2973:20 Single Ambig)
&rst
ixpk= 2973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 412, 443,
igr2=1520,1521,1522,
&end
#
# 0 AMB 20-2:2975 99 ILE QD1 6.50 (# 2975:20 Single Ambig)
&rst
ixpk= 2975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1593, 555,
igr2=1520,1521,1522,
&end
#
# 27 ALA HA 99 ILE QD1 6.50 (# 2976:20 Unique 4.58, 5.73 A)
&rst
ixpk= 2976, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1520,1521,1522,
&end
#
# 99 ILE HN 99 ILE QG2 6.50 (# 2978:20 Unique 4.34, 4.62 A)
&rst
ixpk= 2978, nxpk= 20, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1513,1514,1515,
&end
#
# 10 ASN HA 121 LEU MDX 5.50 (# 2980:20 Unique 2.00, 3.98 A)
&rst
ixpk= 2980, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1824,1825,1826,1828,1829,1830,
&end
#
# 101 ALA HA 99 ILE QG2 5.50 (# 2981:20 Unique 4.15, 5.45 A)
&rst
ixpk= 2981, nxpk= 20, iat=1547, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1513,1514,1515,
&end
#
# 100 LEU HB+ 100 LEU HA 5.50 (# 2983:20 Unique 2.38, 2.74 A)
&rst
ixpk= 2983, nxpk= 20, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1530,1531,
&end
#
# 100 LEU HN 100 LEU HB- 4.50 (# 2984:20 Unique 2.30, 3.11 A)
&rst
ixpk= 2984, nxpk= 20, iat=1526, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1530,1531,
&end
#
# 102 ASP HN 100 LEU HB- 5.50 (# 2985:20 Unique 2.67, 3.06 A)
&rst
ixpk= 2985, nxpk= 20, iat=1555, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1530,1531,
&end
#
# 100 LEU HG 100 LEU HB+ 4.50 (# 2986:20 Unique 2.32, 2.57 A)
&rst
ixpk= 2986, nxpk= 20, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1530,1531,
&end
#
# 101 ALA MB 100 LEU HB- 6.50 (# 2987:20 Unique 4.08, 5.47 A)
&rst
ixpk= 2987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1549,1550,1551,
igr2=1530,1531,
&end
#
# 38 VAL HN 100 LEU MDX 5.50 (# 2988:20 Unique 4.75, 6.83 A)
&rst
ixpk= 2988, nxpk= 20, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 101 ALA HN 100 LEU MDX 4.50 (# 2989:20 Unique 3.67, 5.04 A)
&rst
ixpk= 2989, nxpk= 20, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 102 ASP HN 100 LEU MDX 5.50 (# 2990:20 Unique 4.24, 5.93 A)
&rst
ixpk= 2990, nxpk= 20, iat=1555, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 102 ASP HB+ 100 LEU MDX 5.50 (# 2991:20 Unique 3.81, 7.50 A)
&rst
ixpk= 2991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1559,1560,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 0 AMB 20-2:2992 100 LEU MDX 3.50 (# 2992:20 Single Ambig)
&rst
ixpk= 2992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 549, 550, 552, 553,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 100 LEU HB+ 100 LEU MDX 2.80 (# 2993:20 Unique 2.38, 3.45 A)
&rst
ixpk= 2993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1530,1531,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 105 ILE QG2 100 LEU MDX 5.50 (# 2994:20 Unique 4.91, 8.45 A)
&rst
ixpk= 2994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1597,1598,1599,
igr2=1535,1536,1537,1539,1540,1541,
&end
#
# 32 THR HA 101 ALA HA 6.50 (# 2995:20 Unique 2.93, 3.38 A)
&rst
ixpk= 2995, nxpk= 20, iat= 479,1547, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 100 LEU HB- 101 ALA HA 5.50 (# 2999:20 Unique 4.79, 5.08 A)
&rst
ixpk= 2999, nxpk= 20, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1530,1531,
&end
#
# 99 ILE QG2 101 ALA HA 5.50 (# 3000:20 Unique 4.15, 5.45 A)
&rst
ixpk= 3000, nxpk= 20, iat= -1,1547, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1513,1514,1515,
&end
#
# 103 GLY HN 102 ASP HB- 5.50 (# 3002:20 Unique 3.48, 4.28 A)
&rst
ixpk= 3002, nxpk= 20, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1559,1560,
&end
#
# 101 ALA HN 104 GLN HG+ 6.50 (# 3010:20 Unique 5.24, 7.35 A)
&rst
ixpk= 3010, nxpk= 20, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1581,1582,
&end
#
# 126 CYS HB- 105 ILE QD1 6.50 (# 3016:20 Unique 5.94, 7.84 A)
&rst
ixpk= 3016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1906,1907,
igr2=1604,1605,1606,
&end
#
# 98 VAL HN 105 ILE QG2 6.50 (# 3017:20 Unique 3.76, 4.56 A)
&rst
ixpk= 3017, nxpk= 20, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1597,1598,1599,
&end
#
# 108 PHE HE 105 ILE QG2 4.50 (# 3018:20 Unique 2.32, 5.08 A)
&rst
ixpk= 3018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1648,1652,
igr2=1597,1598,1599,
&end
#
# 0 AMB 20-2:3020 0 AMB 20-1:3020 4.50 (# 3020:20 Double Ambig)
&rst
ixpk= 3020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 425, 426, 427,1822,
igr2=1597,1598,1599,1752,1753,1754,
&end
#
# 98 VAL HN 106 THR HA 6.50 (# 3021:20 Unique 4.53, 4.76 A)
&rst
ixpk= 3021, nxpk= 20, iat=1491,1612, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 105 ILE QG2 106 THR HA 6.50 (# 3023:20 Unique 4.40, 5.45 A)
&rst
ixpk= 3023, nxpk= 20, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1=1597,1598,1599,
&end
#
# 108 PHE HD 106 THR HB 5.50 (# 3024:20 Unique 3.33, 5.70 A)
&rst
ixpk= 3024, nxpk= 20, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1646,1654,
&end
#
# 105 ILE HA 106 THR HB 6.50 (# 3025:20 Unique 4.47, 5.63 A)
&rst
ixpk= 3025, nxpk= 20, iat=1593,1614, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 106 THR HA 106 THR HB 4.50 (# 3026:20 Unique 2.48, 2.65 A)
&rst
ixpk= 3026, nxpk= 20, iat=1612,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 PHE HD 106 THR MG2 5.50 (# 3027:20 Unique 3.20, 7.48 A)
&rst
ixpk= 3027, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1646,1654,
igr2=1616,1617,1618,
&end
#
# 105 ILE HA 106 THR MG2 6.50 (# 3030:20 Unique 4.19, 5.40 A)
&rst
ixpk= 3030, nxpk= 20, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1616,1617,1618,
&end
#
# 108 PHE HB+ 106 THR MG2 5.50 (# 3031:20 Unique 2.91, 7.04 A)
&rst
ixpk= 3031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1642,1643,
igr2=1616,1617,1618,
&end
#
# 126 CYS HB- 106 THR MG2 6.50 (# 3032:20 Unique 5.92, 8.24 A)
&rst
ixpk= 3032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1906,1907,
igr2=1616,1617,1618,
&end
#
# 0 AMB 20-2:3034 106 THR MG2 5.50 (# 3034:20 Single Ambig)
&rst
ixpk= 3034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1906,1907, 552, 553,1601,1602,1601,1602,
igr2=1616,1617,1618,
&end
#
# 37 PRO HB- 106 THR MG2 6.50 (# 3035:20 Unique 5.94, 7.73 A)
&rst
ixpk= 3035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 552, 553,
igr2=1616,1617,1618,
&end
#
# 105 ILE QG2 106 THR MG2 5.50 (# 3037:20 Unique 3.53, 6.12 A)
&rst
ixpk= 3037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1597,1598,1599,
igr2=1616,1617,1618,
&end
#
# 105 ILE HB 106 THR MG2 6.50 (# 3038:20 Unique 5.73, 6.91 A)
&rst
ixpk= 3038, nxpk= 20, iat=1595, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1616,1617,1618,
&end
#
# 97 VAL MGX 106 THR MG2 4.50 (# 3039:20 Unique 2.39, 6.52 A)
&rst
ixpk= 3039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1481,1482,1483,1485,1486,1487,
igr2=1616,1617,1618,
&end
#
# 107 PRO HB- 107 PRO HA 3.50 (# 3040:20 Unique 2.27, 2.63 A)
&rst
ixpk= 3040, nxpk= 20, iat= -1,1634, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1631,1632,
&end
#
# 0 AMB 20-2:3042 108 PHE HA 5.50 (# 3042:20 Single Ambig)
&rst
ixpk= 3042, nxpk= 20, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1312,1313,1295,1296,
&end
#
# 97 VAL MGY 108 PHE HA 6.50 (# 3043:20 Unique 5.20, 7.24 A)
&rst
ixpk= 3043, nxpk= 20, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 87 PHE HZ 108 PHE HB+ 6.50 (# 3045:20 Unique 2.27, 5.36 A)
&rst
ixpk= 3045, nxpk= 20, iat=1334, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1642,1643,
&end
#
# 97 VAL MGY 108 PHE HB- 6.50 (# 3046:20 Unique 2.74, 5.24 A)
&rst
ixpk= 3046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1=1481,1482,1483,1485,1486,1487,
igr2=1642,1643,
&end
#
# 97 VAL MGY 108 PHE HB+ 5.50 (# 3047:20 Unique 2.74, 5.24 A)
&rst
ixpk= 3047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1481,1482,1483,1485,1486,1487,
igr2=1642,1643,
&end
#
# 108 PHE HD 109 SER HA 5.50 (# 3048:20 Unique 3.55, 4.95 A)
&rst
ixpk= 3048, nxpk= 20, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1646,1654,
&end
#
# 108 PHE HA 109 SER HA 4.50 (# 3049:20 Unique 4.45, 4.52 A)
&rst
ixpk= 3049, nxpk= 20, iat=1640,1660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 THR MG2 109 SER HA 5.50 (# 3050:20 Unique 4.03, 5.07 A)
&rst
ixpk= 3050, nxpk= 20, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1859,1860,1861,
&end
#
# 85 GLN HN 0 AMB 20-1:3051 5.50 (# 3051:20 Single Ambig)
&rst
ixpk= 3051, nxpk= 20, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1662,1663,1662,1663,
&end
#
# 108 PHE HD 0 AMB 20-1:3052 6.50 (# 3052:20 Single Ambig)
&rst
ixpk= 3052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
igr1=1646,1654,
igr2=1662,1663,1662,1663,
&end
#
# 0 AMB 20-2:3054 0 AMB 20-1:3054 4.50 (# 3054:20 Double Ambig)
&rst
ixpk= 3054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=2128,2129,2128,2129,2128,2129,
igr2=1662,1663,1662,1663,1662,1663,
&end
#
# 0 AMB 20-2:3055 0 AMB 20-1:3055 5.50 (# 3055:20 Double Ambig)
&rst
ixpk= 3055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.85, r4=12.35,
igr1=1692,1693,2125,2126,2075,2076,2075,2076,2075,2076,
igr2=1662,1663,1662,1663,1662,1663,1662,1663,1662,1663,
&end
#
# 0 AMB 20-2:3057 110 LEU HB- 5.50 (# 3057:20 Single Ambig)
&rst
ixpk= 3057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1688,1902,
igr2=1673,1674,
&end
#
# 0 AMB 20-2:3058 0 AMB 20-1:3058 5.50 (# 3058:20 Double Ambig)
&rst
ixpk= 3058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1688,1902,
igr2=1673,1674,1673,1674,
&end
#
# 108 PHE HE 110 LEU HB- 5.50 (# 3059:20 Unique 2.15, 4.47 A)
&rst
ixpk= 3059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1648,1652,
igr2=1673,1674,
&end
#
# 108 PHE HE 110 LEU HB+ 5.50 (# 3060:20 Unique 2.15, 4.47 A)
&rst
ixpk= 3060, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1648,1652,
igr2=1673,1674,
&end
#
# 0 AMB 20-2:3061 110 LEU MDX 5.50 (# 3061:20 Single Ambig)
&rst
ixpk= 3061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1157,1268,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 123 THR HA 110 LEU MDX 6.50 (# 3062:20 Unique 5.24, 6.85 A)
&rst
ixpk= 3062, nxpk= 20, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 82 ILE HA 110 LEU MDX 5.50 (# 3063:20 Unique 3.88, 5.98 A)
&rst
ixpk= 3063, nxpk= 20, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 17 ALA HA 110 LEU MDX 6.50 (# 3064:20 Unique 4.53, 6.54 A)
&rst
ixpk= 3064, nxpk= 20, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 0 AMB 20-2:3066 110 LEU MDX 4.50 (# 3066:20 Single Ambig)
&rst
ixpk= 3066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1876,1877,1878,1880,1881,1882,1876,1877,1878,1880,
1881,1882,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 111 LEU HN 111 LEU HA 4.50 (# 3068:20 Unique 2.94, 2.97 A)
&rst
ixpk= 3068, nxpk= 20, iat=1688,1690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 LEU MDX 0 AMB 20-1:3070 5.50 (# 3070:20 Single Ambig)
&rst
ixpk= 3070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1678,1679,1680,1682,1683,1684,
igr2=1690,1709,
&end
#
# 83 HIS HB- 111 LEU HB- 4.50 (# 3072:20 Unique 2.17, 3.83 A)
&rst
ixpk= 3072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1259,1260,
igr2=1692,1693,
&end
#
# 83 HIS HB- 111 LEU HB+ 4.50 (# 3073:20 Unique 2.17, 3.83 A)
&rst
ixpk= 3073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1259,1260,
igr2=1692,1693,
&end
#
# 83 HIS HB+ 111 LEU HB- 4.50 (# 3074:20 Unique 2.17, 3.83 A)
&rst
ixpk= 3074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1259,1260,
igr2=1692,1693,
&end
#
# 83 HIS HB+ 111 LEU HB+ 4.50 (# 3075:20 Unique 2.17, 3.83 A)
&rst
ixpk= 3075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1259,1260,
igr2=1692,1693,
&end
#
# 111 LEU HG 111 LEU HB- 3.50 (# 3076:20 Unique 2.37, 2.83 A)
&rst
ixpk= 3076, nxpk= 20, iat=1695, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1692,1693,
&end
#
# 111 LEU HG 111 LEU HB+ 3.50 (# 3077:20 Unique 2.37, 2.83 A)
&rst
ixpk= 3077, nxpk= 20, iat=1695, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1692,1693,
&end
#
# 83 HIS HD2 111 LEU HG 5.50 (# 3078:20 Unique 4.76, 5.02 A)
&rst
ixpk= 3078, nxpk= 20, iat=1268,1695, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 HIS HB- 111 LEU HG 6.50 (# 3079:20 Unique 4.58, 5.76 A)
&rst
ixpk= 3079, nxpk= 20, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1259,1260,
&end
#
# 120 PRO HB- 111 LEU HG 4.50 (# 3080:20 Unique 3.07, 4.17 A)
&rst
ixpk= 3080, nxpk= 20, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1808,1809,
&end
#
# 120 PRO HG+ 111 LEU HG 5.50 (# 3081:20 Unique 4.30, 5.29 A)
&rst
ixpk= 3081, nxpk= 20, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1805,1806,
&end
#
# 123 THR MG2 111 LEU HG 3.50 (# 3083:20 Unique 2.54, 4.39 A)
&rst
ixpk= 3083, nxpk= 20, iat= -1,1695, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1859,1860,1861,
&end
#
# 83 HIS HD2 111 LEU MDX 6.50 (# 3084:20 Unique 2.37, 4.52 A)
&rst
ixpk= 3084, nxpk= 20, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 113 ALA HN 111 LEU MDY 6.50 (# 3086:20 Unique 3.21, 6.03 A)
&rst
ixpk= 3086, nxpk= 20, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 112 MET HN 111 LEU MDY 5.50 (# 3087:20 Unique 1.84, 4.28 A)
&rst
ixpk= 3087, nxpk= 20, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 0 AMB 20-2:3089 111 LEU MDY 5.50 (# 3089:20 Single Ambig)
&rst
ixpk= 3089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1802,1803,1802,1803,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 120 PRO HB- 111 LEU MDY 4.50 (# 3092:20 Unique 2.17, 4.25 A)
&rst
ixpk= 3092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1808,1809,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 112 MET HN 0 AMB 20-1:3093 5.50 (# 3093:20 Single Ambig)
&rst
ixpk= 3093, nxpk= 20, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1711,1712,1711,1712,
&end
#
# 113 ALA HN 0 AMB 20-1:3094 6.50 (# 3094:20 Single Ambig)
&rst
ixpk= 3094, nxpk= 20, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr2=1711,1712,1711,1712,
&end
#
# 112 MET HN 112 MET ME 6.50 (# 3095:20 Unique 5.18, 6.08 A)
&rst
ixpk= 3095, nxpk= 20, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1718,1719,1720,
&end
#
# 0 AMB 20-2:3096 112 MET ME 6.50 (# 3096:20 Single Ambig)
&rst
ixpk= 3096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 188,1886,
igr2=1718,1719,1720,
&end
#
# 16 THR HN 112 MET ME 6.50 (# 3097:20 Unique 4.17, 5.50 A)
&rst
ixpk= 3097, nxpk= 20, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1718,1719,1720,
&end
#
# 0 AMB 20-2:3099 112 MET ME 6.50 (# 3099:20 Single Ambig)
&rst
ixpk= 3099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 200, 297,
igr2=1718,1719,1720,
&end
#
# 20 PHE HB- 112 MET ME 5.50 (# 3100:20 Unique 3.49, 5.21 A)
&rst
ixpk= 3100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 299, 300,
igr2=1718,1719,1720,
&end
#
# 77 ASP HB- 112 MET ME 6.50 (# 3101:20 Unique 6.07, 7.53 A)
&rst
ixpk= 3101, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1168,1169,
igr2=1718,1719,1720,
&end
#
# 113 ALA HN 113 ALA HA 6.50 (# 3103:20 Unique 2.95, 2.98 A)
&rst
ixpk= 3103, nxpk= 20, iat=1724,1726, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 121 LEU HG 113 ALA HA 5.50 (# 3104:20 Unique 4.55, 4.98 A)
&rst
ixpk= 3104, nxpk= 20, iat=1822,1726, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 LEU MDY 113 ALA HA 6.50 (# 3105:20 Unique 2.09, 4.68 A)
&rst
ixpk= 3105, nxpk= 20, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1824,1825,1826,1828,1829,1830,
&end
#
# 112 MET HN 113 ALA MB 6.50 (# 3106:20 Unique 4.87, 6.02 A)
&rst
ixpk= 3106, nxpk= 20, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1728,1729,1730,
&end
#
# 80 LEU HN 114 ASN HA 6.50 (# 3107:20 Unique 5.33, 5.53 A)
&rst
ixpk= 3107, nxpk= 20, iat=1206,1736, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 114 ASN HD2+ 114 ASN HA 6.50 (# 3108:20 Unique 3.81, 4.45 A)
&rst
ixpk= 3108, nxpk= 20, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1743,1744,
&end
#
# 0 AMB 20-2:3109 114 ASN HB- 5.50 (# 3109:20 Single Ambig)
&rst
ixpk= 3109, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1779,1758,
igr2=1738,1739,
&end
#
# 0 AMB 20-2:3110 0 AMB 20-1:3110 6.50 (# 3110:20 Double Ambig)
&rst
ixpk= 3110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
igr1=1779,1758,
igr2=1738,1739,1738,1739,
&end
#
# 119 GLU HN 114 ASN HB+ 5.50 (# 3111:20 Unique 2.74, 3.83 A)
&rst
ixpk= 3111, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1738,1739,
&end
#
# 114 ASN HD2+ 114 ASN HB- 5.50 (# 3112:20 Unique 2.21, 3.14 A)
&rst
ixpk= 3112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1743,1744,
igr2=1738,1739,
&end
#
# 119 GLU HB- 114 ASN HB+ 5.50 (# 3113:20 Unique 2.92, 4.74 A)
&rst
ixpk= 3113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1790,1791,
igr2=1738,1739,
&end
#
# 121 LEU HG 114 ASN HB- 5.50 (# 3114:20 Unique 2.80, 4.24 A)
&rst
ixpk= 3114, nxpk= 20, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1738,1739,
&end
#
# 113 ALA MB 114 ASN HB+ 6.50 (# 3115:20 Unique 4.50, 5.86 A)
&rst
ixpk= 3115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1728,1729,1730,
igr2=1738,1739,
&end
#
# 0 AMB 20-2:3117 0 AMB 20-1:3117 6.50 (# 3117:20 Double Ambig)
&rst
ixpk= 3117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
igr1=1236, 402,1545,
igr2=1752,1753,1754,1597,1598,1599,
&end
#
# 118 GLY HN 117 THR HA 5.50 (# 3120:20 Unique 3.50, 3.53 A)
&rst
ixpk= 3120, nxpk= 20, iat=1779,1767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 118 GLY HN 117 THR HB 5.50 (# 3121:20 Unique 2.87, 3.66 A)
&rst
ixpk= 3121, nxpk= 20, iat=1779,1769, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 GLU HN 118 GLY HA- 5.50 (# 3123:20 Unique 3.41, 7.45 A)
&rst
ixpk= 3123, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1781,1782,
&end
#
# 119 GLU HN 118 GLY HA+ 5.50 (# 3124:20 Unique 3.41, 7.45 A)
&rst
ixpk= 3124, nxpk= 20, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1781,1782,
&end
#
# 117 THR HN 118 GLY HA+ 5.50 (# 3125:20 Unique 4.89, 7.78 A)
&rst
ixpk= 3125, nxpk= 20, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1781,1782,
&end
#
# 113 ALA MB 118 GLY HA+ 4.50 (# 3126:20 Unique 4.25,10.67 A)
&rst
ixpk= 3126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1728,1729,1730,
igr2=1781,1782,
&end
#
# 118 GLY HN 119 GLU HA 6.50 (# 3127:20 Unique 5.13, 5.18 A)
&rst
ixpk= 3127, nxpk= 20, iat=1779,1788, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 133 ASP HB+ 127 SER HB- 6.50 (# 3128:20 Unique 4.86, 6.82 A)
&rst
ixpk= 3128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=2003,2004,
igr2=1917,1918,
&end
#
# 0 AMB 20-2:3129 120 PRO HA 4.50 (# 3129:20 Single Ambig)
&rst
ixpk= 3129, nxpk= 20, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1819,1820,2065,2066,2067,
&end
#
# 0 AMB 20-2:3130 120 PRO HA 3.50 (# 3130:20 Single Ambig)
&rst
ixpk= 3130, nxpk= 20, iat= -1,1811, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1697,1698,1699,1701,1702,1703,1824,1825,1826,1828,
1829,1830,
&end
#
# 0 AMB 20-2:3132 0 AMB 20-1:3132 4.50 (# 3132:20 Double Ambig)
&rst
ixpk= 3132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1793,1794,1793,1794,1793,1794,
igr2=1802,1803,1802,1803,1802,1803,
&end
#
# 121 LEU HN 121 LEU HB- 5.50 (# 3133:20 Unique 2.34, 3.07 A)
&rst
ixpk= 3133, nxpk= 20, iat=1815, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1819,1820,
&end
#
# 121 LEU HN 121 LEU HB+ 5.50 (# 3134:20 Unique 2.34, 3.07 A)
&rst
ixpk= 3134, nxpk= 20, iat=1815, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1819,1820,
&end
#
# 121 LEU HA 121 LEU HB- 5.50 (# 3137:20 Unique 2.27, 2.73 A)
&rst
ixpk= 3137, nxpk= 20, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1819,1820,
&end
#
# 10 ASN HA 121 LEU HB+ 6.50 (# 3138:20 Unique 2.29, 3.62 A)
&rst
ixpk= 3138, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1819,1820,
&end
#
# 120 PRO HB- 121 LEU HB- 6.50 (# 3140:20 Unique 5.36, 6.34 A)
&rst
ixpk= 3140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1808,1809,
igr2=1819,1820,
&end
#
# 122 LEU HB- 121 LEU HB- 4.50 (# 3141:20 Unique 2.54, 4.32 A)
&rst
ixpk= 3141, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1838,1839,
igr2=1819,1820,
&end
#
# 121 LEU HN 121 LEU HG 4.50 (# 3144:20 Unique 4.03, 4.34 A)
&rst
ixpk= 3144, nxpk= 20, iat=1815,1822, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ALA HA 121 LEU HG 5.50 (# 3149:20 Unique 4.40, 4.85 A)
&rst
ixpk= 3149, nxpk= 20, iat= 128,1822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 ASN HB- 121 LEU HG 5.50 (# 3150:20 Unique 2.80, 4.24 A)
&rst
ixpk= 3150, nxpk= 20, iat= -1,1822, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1738,1739,
&end
#
# 0 AMB 20-2:3152 121 LEU HG 6.50 (# 3152:20 Single Ambig)
&rst
ixpk= 3152, nxpk= 20, iat= -1,1822, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
igr1=1793,1794,1793,1794,1195,1196,1714,1715,
&end
#
# 10 ASN HN 121 LEU MDX 6.50 (# 3154:20 Unique 3.31, 4.97 A)
&rst
ixpk= 3154, nxpk= 20, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2=1824,1825,1826,1828,1829,1830,
&end
#
# 136 LEU HA 122 LEU HB- 5.50 (# 3156:20 Unique 3.82, 4.97 A)
&rst
ixpk= 3156, nxpk= 20, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1838,1839,
&end
#
# 136 LEU HA 122 LEU HB+ 5.50 (# 3157:20 Unique 3.82, 4.97 A)
&rst
ixpk= 3157, nxpk= 20, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1838,1839,
&end
#
# 124 LEU MDX 122 LEU HB- 4.50 (# 3158:20 Unique 2.50, 6.00 A)
&rst
ixpk= 3158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1876,1877,1878,1880,1881,1882,
igr2=1838,1839,
&end
#
# 0 AMB 20-2:3159 0 AMB 20-1:3159 4.50 (# 3159:20 Double Ambig)
&rst
ixpk= 3159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1876,1877,1878,1880,1881,1882,2051,2052,2053,2055,
2056,2057,
igr2=1838,1839,1838,1839,
&end
#
# 134 GLN HA 124 LEU HG 4.50 (# 3160:20 Unique 2.20, 3.15 A)
&rst
ixpk= 3160, nxpk= 20, iat=2013,1874, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 136 LEU HA 122 LEU HG 5.50 (# 3161:20 Unique 2.54, 3.58 A)
&rst
ixpk= 3161, nxpk= 20, iat=2044,1841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 LEU HN 122 LEU MDX 6.50 (# 3162:20 Unique 4.59, 7.06 A)
&rst
ixpk= 3162, nxpk= 20, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2=1843,1844,1845,1847,1848,1849,
&end
#
# 0 AMB 20-2:3163 122 LEU MDX 6.50 (# 3163:20 Single Ambig)
&rst
ixpk= 3163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1= 261, 136,
igr2=1843,1844,1845,1847,1848,1849,
&end
#
# 134 GLN HE2+ 122 LEU MDX 6.50 (# 3164:20 Unique 1.86, 4.05 A)
&rst
ixpk= 3164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1=2023,2024,
igr2=1843,1844,1845,1847,1848,1849,
&end
#
# 134 GLN HE2- 122 LEU MDX 5.50 (# 3165:20 Unique 1.86, 4.05 A)
&rst
ixpk= 3165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2023,2024,
igr2=1843,1844,1845,1847,1848,1849,
&end
#
# 134 GLN HA 122 LEU MDX 4.50 (# 3166:20 Unique 3.54, 5.57 A)
&rst
ixpk= 3166, nxpk= 20, iat=2013, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1843,1844,1845,1847,1848,1849,
&end
#
# 136 LEU HA 122 LEU MDX 4.50 (# 3167:20 Unique 2.21, 5.03 A)
&rst
ixpk= 3167, nxpk= 20, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1843,1844,1845,1847,1848,1849,
&end
#
# 10 ASN HB+ 122 LEU MDX 5.50 (# 3168:20 Unique 6.21, 8.93 A)
&rst
ixpk= 3168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 140, 141,
igr2=1843,1844,1845,1847,1848,1849,
&end
#
# 0 AMB 20-2:3170 123 THR HB 5.50 (# 3170:20 Single Ambig)
&rst
ixpk= 3170, nxpk= 20, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2044,2123,
&end
#
# 0 AMB 20-2:3172 123 THR HB 5.50 (# 3172:20 Single Ambig)
&rst
ixpk= 3172, nxpk= 20, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2075,2076,2075,2076,2125,2126,
&end
#
# 123 THR HA 123 THR MG2 3.50 (# 3173:20 Unique 2.35, 3.05 A)
&rst
ixpk= 3173, nxpk= 20, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1859,1860,1861,
&end
#
# 83 HIS HB+ 123 THR MG2 6.50 (# 3174:20 Unique 6.17, 8.18 A)
&rst
ixpk= 3174, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1259,1260,
igr2=1859,1860,1861,
&end
#
# 139 ASP HB- 123 THR MG2 6.50 (# 3175:20 Unique 6.72, 8.73 A)
&rst
ixpk= 3175, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=2099,2100,
igr2=1859,1860,1861,
&end
#
# 111 LEU HB+ 123 THR MG2 3.50 (# 3176:20 Unique 2.32, 4.52 A)
&rst
ixpk= 3176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1692,1693,
igr2=1859,1860,1861,
&end
#
# 0 AMB 20-2:3177 0 AMB 20-1:3177 3.50 (# 3177:20 Double Ambig)
&rst
ixpk= 3177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=2125,2126,1495,1616,1617,1618,
igr2=1859,1860,1861,1497,1498,1499,1501,1502,1503,
&end
#
# 135 THR MG2 124 LEU HA 5.50 (# 3180:20 Unique 4.10, 5.53 A)
&rst
ixpk= 3180, nxpk= 20, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2034,2035,2036,
&end
#
# 110 LEU HN 124 LEU HB- 5.50 (# 3181:20 Unique 3.15, 3.84 A)
&rst
ixpk= 3181, nxpk= 20, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1871,1872,
&end
#
# 0 AMB 20-2:3183 0 AMB 20-1:3183 3.50 (# 3183:20 Double Ambig)
&rst
ixpk= 3183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1874,1987,
igr2=1871,1872,1871,1872,
&end
#
# 0 AMB 20-2:3184 124 LEU HB- 3.50 (# 3184:20 Single Ambig)
&rst
ixpk= 3184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1876,1877,1878,1880,1881,1882,1876,1877,1878,1880,
1881,1882,
igr2=1871,1872,
&end
#
# 0 AMB 20-2:3185 0 AMB 20-1:3185 3.50 (# 3185:20 Double Ambig)
&rst
ixpk= 3185, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1876,1877,1878,1880,1881,1882,1876,1877,1878,1880,
1881,1882,
igr2=1871,1872,1871,1872,
&end
#
# 134 GLN HE2+ 124 LEU MDX 6.50 (# 3186:20 Unique 2.77, 5.72 A)
&rst
ixpk= 3186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1=2023,2024,
igr2=1876,1877,1878,1880,1881,1882,
&end
#
# 133 ASP HB+ 124 LEU MDX 5.50 (# 3187:20 Unique 5.86, 8.25 A)
&rst
ixpk= 3187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2003,2004,
igr2=1876,1877,1878,1880,1881,1882,
&end
#
# 0 AMB 20-2:3188 124 LEU MDY 5.50 (# 3188:20 Single Ambig)
&rst
ixpk= 3188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1853,1886,
igr2=1876,1877,1878,1880,1881,1882,
&end
#
# 20 PHE HB- 124 LEU MDY 5.50 (# 3189:20 Unique 3.04, 5.65 A)
&rst
ixpk= 3189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 299, 300,
igr2=1876,1877,1878,1880,1881,1882,
&end
#
# 20 PHE HB+ 124 LEU MDY 5.50 (# 3190:20 Unique 3.04, 5.65 A)
&rst
ixpk= 3190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 299, 300,
igr2=1876,1877,1878,1880,1881,1882,
&end
#
# 133 ASP HB+ 124 LEU MDY 5.50 (# 3191:20 Unique 5.86, 8.25 A)
&rst
ixpk= 3191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2003,2004,
igr2=1876,1877,1878,1880,1881,1882,
&end
#
# 0 AMB 20-2:3193 124 LEU MDY 3.50 (# 3193:20 Single Ambig)
&rst
ixpk= 3193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2015,2016,2018,2019,
igr2=1876,1877,1878,1880,1881,1882,
&end
#
# 108 PHE HN 125 VAL HA 5.50 (# 3194:20 Unique 4.53, 4.74 A)
&rst
ixpk= 3194, nxpk= 20, iat=1638,1888, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 THR MG2 125 VAL HA 4.50 (# 3195:20 Unique 4.17, 5.50 A)
&rst
ixpk= 3195, nxpk= 20, iat= -1,1888, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1859,1860,1861,
&end
#
# 133 ASP HN 125 VAL HB 6.50 (# 3196:20 Unique 3.52, 3.71 A)
&rst
ixpk= 3196, nxpk= 20, iat=1999,1890, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 132 LEU HA 125 VAL MGX 5.50 (# 3202:20 Unique 5.66, 7.23 A)
&rst
ixpk= 3202, nxpk= 20, iat=1982, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 127 SER HB+ 125 VAL MGX 5.50 (# 3203:20 Unique 4.30, 7.67 A)
&rst
ixpk= 3203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1917,1918,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 107 PRO HB+ 125 VAL MGX 5.50 (# 3208:20 Unique 5.67, 8.36 A)
&rst
ixpk= 3208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1631,1632,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 0 AMB 20-2:3210 125 VAL MGX 4.50 (# 3210:20 Single Ambig)
&rst
ixpk= 3210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2128,2129,2128,2129,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 111 LEU HB+ 125 VAL MGX 5.50 (# 3211:20 Unique 5.90, 8.88 A)
&rst
ixpk= 3211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1692,1693,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 140 THR MG2 125 VAL MGX 4.50 (# 3213:20 Unique 2.35, 5.52 A)
&rst
ixpk= 3213, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2113,2114,2115,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 124 LEU HN 125 VAL MGY 5.50 (# 3214:20 Unique 4.10, 6.11 A)
&rst
ixpk= 3214, nxpk= 20, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 110 LEU HN 125 VAL MGY 5.50 (# 3215:20 Unique 3.38, 5.47 A)
&rst
ixpk= 3215, nxpk= 20, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 108 PHE HA 125 VAL MGY 6.50 (# 3217:20 Unique 5.12, 7.15 A)
&rst
ixpk= 3217, nxpk= 20, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 125 VAL HA 125 VAL MGY 3.50 (# 3219:20 Unique 2.43, 3.16 A)
&rst
ixpk= 3219, nxpk= 20, iat=1888, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 123 THR HB 125 VAL MGY 4.50 (# 3220:20 Unique 3.48, 6.14 A)
&rst
ixpk= 3220, nxpk= 20, iat=1857, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 0 AMB 20-2:3221 125 VAL MGY 4.50 (# 3221:20 Single Ambig)
&rst
ixpk= 3221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1987,2078,2079,2078,2079,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 126 CYS HN 126 CYS HA 4.50 (# 3222:20 Unique 2.98, 2.99 A)
&rst
ixpk= 3222, nxpk= 20, iat=1902,1904, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 133 ASP HN 126 CYS HA 5.50 (# 3223:20 Unique 3.49, 3.66 A)
&rst
ixpk= 3223, nxpk= 20, iat=1999,1904, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 128 GLY HN 126 CYS HA 5.50 (# 3224:20 Unique 3.30, 3.59 A)
&rst
ixpk= 3224, nxpk= 20, iat=1924,1904, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 LEU MDX 126 CYS HA 5.50 (# 3225:20 Unique 3.73, 4.52 A)
&rst
ixpk= 3225, nxpk= 20, iat= -1,1904, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1989,1990,1991,1993,1994,1995,
&end
#
# 108 PHE HN 126 CYS HB- 6.50 (# 3226:20 Unique 1.62, 2.58 A)
&rst
ixpk= 3226, nxpk= 20, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1906,1907,
&end
#
# 126 CYS HA 126 CYS HB- 5.50 (# 3228:20 Unique 2.37, 2.77 A)
&rst
ixpk= 3228, nxpk= 20, iat=1904, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1906,1907,
&end
#
# 126 CYS HA 127 SER HB+ 5.50 (# 3230:20 Unique 4.33, 5.14 A)
&rst
ixpk= 3230, nxpk= 20, iat=1904, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1917,1918,
&end
#
# 107 PRO HB+ 127 SER HB- 5.50 (# 3231:20 Unique 4.62, 6.96 A)
&rst
ixpk= 3231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1631,1632,
igr2=1917,1918,
&end
#
# 129 SER HN 129 SER HA 6.50 (# 3233:20 Unique 2.94, 2.97 A)
&rst
ixpk= 3233, nxpk= 20, iat=1931,1933, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 105 ILE QD1 129 SER HA 5.50 (# 3234:20 Unique 2.36, 4.37 A)
&rst
ixpk= 3234, nxpk= 20, iat= -1,1933, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1604,1605,1606,
&end
#
# 0 AMB 20-2:3235 0 AMB 20-1:3235 6.50 (# 3235:20 Double Ambig)
&rst
ixpk= 3235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.09, r4=10.59,
igr1=1595, 772, 773, 774, 776, 777, 778,
igr2=1944,1029,
&end
#
# 28 ILE QD1 130 TRP HA 6.50 (# 3236:20 Unique 3.74, 4.61 A)
&rst
ixpk= 3236, nxpk= 20, iat= -1,1944, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 425, 426, 427,
&end
#
# 130 TRP HD1 0 AMB 20-1:3238 4.50 (# 3238:20 Single Ambig)
&rst
ixpk= 3238, nxpk= 20, iat=1950, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1946,1947,1946,1947,
&end
#
# 0 AMB 20-2:3239 0 AMB 20-1:3239 5.50 (# 3239:20 Double Ambig)
&rst
ixpk= 3239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1935,1936,1935,1936,1935,1936,
igr2=1946,1947,1946,1947,1946,1947,
&end
#
# 131 PRO HB- 0 AMB 20-1:3240 4.50 (# 3240:20 Single Ambig)
&rst
ixpk= 3240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1973,1974,
igr2=1946,1947,1946,1947,
&end
#
# 130 TRP HN 131 PRO HA 5.50 (# 3242:20 Unique 4.72, 4.77 A)
&rst
ixpk= 3242, nxpk= 20, iat=1942,1976, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 PRO HB+ 131 PRO HA 3.50 (# 3244:20 Unique 2.28, 2.54 A)
&rst
ixpk= 3244, nxpk= 20, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1973,1974,
&end
#
# 131 PRO HD- 131 PRO HB+ 4.50 (# 3246:20 Unique 2.82, 3.72 A)
&rst
ixpk= 3246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1967,1968,
igr2=1973,1974,
&end
#
# 132 LEU HN 131 PRO HG+ 6.50 (# 3248:20 Unique 3.84, 4.64 A)
&rst
ixpk= 3248, nxpk= 20, iat=1980, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1970,1971,
&end
#
# 132 LEU HN 131 PRO HG- 6.50 (# 3249:20 Unique 3.84, 4.64 A)
&rst
ixpk= 3249, nxpk= 20, iat=1980, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1970,1971,
&end
#
# 0 AMB 20-2:3250 0 AMB 20-1:3250 6.50 (# 3250:20 Double Ambig)
&rst
ixpk= 3250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
igr1=1944, 319,
igr2=1970,1971,1970,1971,
&end
#
# 131 PRO HA 131 PRO HG+ 6.50 (# 3251:20 Unique 3.12, 3.90 A)
&rst
ixpk= 3251, nxpk= 20, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1970,1971,
&end
#
# 131 PRO HA 131 PRO HG- 6.50 (# 3252:20 Unique 3.12, 3.90 A)
&rst
ixpk= 3252, nxpk= 20, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1970,1971,
&end
#
# 130 TRP HD1 131 PRO HD+ 6.50 (# 3253:20 Unique 3.52, 4.55 A)
&rst
ixpk= 3253, nxpk= 20, iat=1950, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1967,1968,
&end
#
# 130 TRP HD1 131 PRO HD- 6.50 (# 3254:20 Unique 3.52, 4.55 A)
&rst
ixpk= 3254, nxpk= 20, iat=1950, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1967,1968,
&end
#
# 0 AMB 20-2:3256 0 AMB 20-1:3256 5.50 (# 3256:20 Double Ambig)
&rst
ixpk= 3256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1946,1947,1946,1947,
igr2=1967,1968,1967,1968,
&end
#
# 0 AMB 20-2:3257 131 PRO HD- 5.50 (# 3257:20 Single Ambig)
&rst
ixpk= 3257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1946,1947,1946,1947,
igr2=1967,1968,
&end
#
# 133 ASP HN 132 LEU HG 6.50 (# 3259:20 Unique 2.65, 3.29 A)
&rst
ixpk= 3259, nxpk= 20, iat=1999,1987, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 126 CYS HA 132 LEU HG 5.50 (# 3260:20 Unique 2.13, 2.51 A)
&rst
ixpk= 3260, nxpk= 20, iat=1904,1987, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 TRP HA 0 AMB 20-1:3261 5.50 (# 3261:20 Single Ambig)
&rst
ixpk= 3261, nxpk= 20, iat=1944, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1989,1990,1991,1993,1994,1995, 358, 359, 360, 362,
363, 364,
&end
#
# 126 CYS HB- 132 LEU MDX 4.50 (# 3262:20 Unique 2.15, 4.14 A)
&rst
ixpk= 3262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1906,1907,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 109 SER HN 132 LEU MDY 6.50 (# 3264:20 Unique 5.84, 7.82 A)
&rst
ixpk= 3264, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 0 AMB 20-2:3266 132 LEU MDY 4.50 (# 3266:20 Single Ambig)
&rst
ixpk= 3266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1904,1660,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 125 VAL HA 133 ASP HB+ 6.50 (# 3272:20 Unique 4.28, 5.28 A)
&rst
ixpk= 3272, nxpk= 20, iat=1888, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=2003,2004,
&end
#
# 135 THR MG2 133 ASP HB- 5.50 (# 3275:20 Unique 5.02, 7.06 A)
&rst
ixpk= 3275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2034,2035,2036,
igr2=2003,2004,
&end
#
# 135 THR MG2 134 GLN HA 5.50 (# 3277:20 Unique 3.97, 5.13 A)
&rst
ixpk= 3277, nxpk= 20, iat= -1,2013, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2034,2035,2036,
&end
#
# 135 THR HN 134 GLN HB- 5.50 (# 3278:20 Unique 2.85, 3.94 A)
&rst
ixpk= 3278, nxpk= 20, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2015,2016,
&end
#
# 134 GLN HE2+ 134 GLN HB- 6.50 (# 3279:20 Unique 2.40, 3.97 A)
&rst
ixpk= 3279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=2023,2024,
igr2=2015,2016,
&end
#
# 134 GLN HE2+ 134 GLN HB+ 5.50 (# 3280:20 Unique 2.40, 3.97 A)
&rst
ixpk= 3280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2023,2024,
igr2=2015,2016,
&end
#
# 0 AMB 20-2:3282 0 AMB 20-1:3282 4.50 (# 3282:20 Double Ambig)
&rst
ixpk= 3282, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 786, 787,1874,
igr2= 532, 533,2015,2016,
&end
#
# 122 LEU MDX 134 GLN HB- 5.50 (# 3283:20 Unique 2.48, 5.53 A)
&rst
ixpk= 3283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1843,1844,1845,1847,1848,1849,
igr2=2015,2016,
&end
#
# 122 LEU MDX 134 GLN HB+ 4.50 (# 3284:20 Unique 2.48, 5.53 A)
&rst
ixpk= 3284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1843,1844,1845,1847,1848,1849,
igr2=2015,2016,
&end
#
# 134 GLN HE2- 134 GLN HG- 5.50 (# 3285:20 Unique 2.35, 3.35 A)
&rst
ixpk= 3285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2023,2024,
igr2=2018,2019,
&end
#
# 134 GLN HE2- 134 GLN HG+ 4.50 (# 3286:20 Unique 2.35, 3.35 A)
&rst
ixpk= 3286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2023,2024,
igr2=2018,2019,
&end
#
# 134 GLN HN 134 GLN HG- 5.50 (# 3287:20 Unique 2.75, 4.03 A)
&rst
ixpk= 3287, nxpk= 20, iat=2011, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2018,2019,
&end
#
# 134 GLN HN 134 GLN HG+ 4.50 (# 3288:20 Unique 2.75, 4.03 A)
&rst
ixpk= 3288, nxpk= 20, iat=2011, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2018,2019,
&end
#
# 0 AMB 20-2:3289 135 THR HA 5.50 (# 3289:20 Single Ambig)
&rst
ixpk= 3289, nxpk= 20, iat= -1,2030, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2046,2047,1838,1839,
&end
#
# 123 THR HA 135 THR MG2 5.50 (# 3292:20 Unique 4.19, 5.28 A)
&rst
ixpk= 3292, nxpk= 20, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2034,2035,2036,
&end
#
# 122 LEU HA 136 LEU HA 6.50 (# 3293:20 Unique 2.18, 2.52 A)
&rst
ixpk= 3293, nxpk= 20, iat=1836,2044, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 104 GLN HE2- 100 LEU HG 5.50 (# 3296:20 Unique 3.35, 4.95 A)
&rst
ixpk= 3296, nxpk= 20, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1586,1587,
&end
#
# 30 ARG HD- 26 LEU MDY 5.50 (# 3299:20 Unique 2.40, 5.98 A)
&rst
ixpk= 3299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 453, 454,
igr2= 392, 393, 394, 396, 397, 398,
&end
#
# 120 PRO HG- 137 ALA HA 5.50 (# 3302:20 Unique 3.49, 4.98 A)
&rst
ixpk= 3302, nxpk= 20, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1805,1806,
&end
#
# 0 AMB 20-2:3303 137 ALA HA 4.50 (# 3303:20 Single Ambig)
&rst
ixpk= 3303, nxpk= 20, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1808,1809,2075,2076,
&end
#
# 0 AMB 20-2:3304 137 ALA HA 4.50 (# 3304:20 Single Ambig)
&rst
ixpk= 3304, nxpk= 20, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2078,2079,2078,2079,
&end
#
# 0 AMB 20-2:3305 137 ALA HA 6.50 (# 3305:20 Single Ambig)
&rst
ixpk= 3305, nxpk= 20, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 8.99, r4= 9.49,
igr1=2049,1876,1877,1878,1880,1881,1882,
&end
#
# 121 LEU HN 137 ALA MB 6.50 (# 3306:20 Unique 3.53, 5.87 A)
&rst
ixpk= 3306, nxpk= 20, iat=1815, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=2065,2066,2067,
&end
#
# 0 AMB 20-2:3307 137 ALA MB 5.50 (# 3307:20 Single Ambig)
&rst
ixpk= 3307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2081,2082,2081,2082,
igr2=2065,2066,2067,
&end
#
# 0 AMB 20-2:3309 0 AMB 20-1:3309 4.50 (# 3309:20 Double Ambig)
&rst
ixpk= 3309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 110,2071,
igr2= 66, 67,2078,2079,2078,2079,
&end
#
# 0 AMB 20-2:3310 0 AMB 20-1:3310 6.50 (# 3310:20 Double Ambig)
&rst
ixpk= 3310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
igr1=2095,2071,2121,
igr2=2081,2082,2081,2082,2081,2082,
&end
#
# 138 ARG HA 0 AMB 20-1:3316 4.50 (# 3316:20 Single Ambig)
&rst
ixpk= 3316, nxpk= 20, iat=2073, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2081,2082,2081,2082,
&end
#
# 123 THR HB 0 AMB 20-1:3318 4.50 (# 3318:20 Single Ambig)
&rst
ixpk= 3318, nxpk= 20, iat=1857, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2081,2082,2081,2082,
&end
#
# 111 LEU MDX 0 AMB 20-1:3322 5.50 (# 3322:20 Single Ambig)
&rst
ixpk= 3322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1697,1698,1699,1701,1702,1703,
igr2=2081,2082,2081,2082,
&end
#
# 136 LEU HB- 139 ASP HB- 5.50 (# 3323:20 Unique 3.81, 5.27 A)
&rst
ixpk= 3323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2046,2047,
igr2=2099,2100,
&end
#
# 141 ARG HN 0 AMB 20-1:3327 4.50 (# 3327:20 Single Ambig)
&rst
ixpk= 3327, nxpk= 20, iat=2121, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2128,2129,2128,2129,
&end
#
# 136 LEU HN 135 THR HA 4.50 (# 3328:20 Unique 2.27, 2.35 A)
&rst
ixpk= 3328, nxpk= 20, iat=2042,2030, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 126 CYS HN 109 SER HA 4.50 (# 3329:20 Unique 3.36, 3.50 A)
&rst
ixpk= 3329, nxpk= 20, iat=1902,1660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 MET HA 50 MET HB- 6.50 (# 3330:20 Unique 2.42, 2.76 A)
&rst
ixpk= 3330, nxpk= 20, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 753, 754,
&end
#
# 50 MET ME 50 MET HB- 6.50 (# 3331:20 Unique 2.25, 3.75 A)
&rst
ixpk= 3331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 760, 761, 762,
igr2= 753, 754,
&end
#
# 124 LEU HN 124 LEU MDY 6.50 (# 3332:20 Unique 2.91, 4.52 A)
&rst
ixpk= 3332, nxpk= 20, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2=1876,1877,1878,1880,1881,1882,
&end
#
# 87 PHE HD 84 LEU MDX 6.50 (# 3333:20 Unique 2.64, 6.39 A)
&rst
ixpk= 3333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1=1330,1338,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 82 ILE QD1 112 MET HG+ 5.50 (# 3338:20 Unique 2.34, 4.01 A)
&rst
ixpk= 3338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1249,1250,1251,
igr2=1714,1715,
&end
#
# 82 ILE QD1 112 MET HG- 5.50 (# 3339:20 Unique 2.34, 4.01 A)
&rst
ixpk= 3339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1249,1250,1251,
igr2=1714,1715,
&end
#
# 0 AMB 20-2:3340 0 AMB 20-1:3340 5.50 (# 3340:20 Double Ambig)
&rst
ixpk= 3340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1678,1679,1680,1682,1683,1684,1678,1679,1680,1682,
1683,1684,
igr2=1714,1715,1714,1715,
&end
#
# 110 LEU MDX 112 MET HG- 5.50 (# 3341:20 Unique 2.85, 4.98 A)
&rst
ixpk= 3341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1678,1679,1680,1682,1683,1684,
igr2=1714,1715,
&end
#
# 112 MET HN 112 MET HG+ 5.50 (# 3342:20 Unique 2.74, 3.40 A)
&rst
ixpk= 3342, nxpk= 20, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1714,1715,
&end
#
# 112 MET HN 112 MET HG- 5.50 (# 3343:20 Unique 2.74, 3.40 A)
&rst
ixpk= 3343, nxpk= 20, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1714,1715,
&end
#
# 82 ILE QD1 80 LEU HA 5.50 (# 3344:20 Unique 4.53, 5.20 A)
&rst
ixpk= 3344, nxpk= 20, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1249,1250,1251,
&end
#
# 121 LEU HG 80 LEU HA 6.50 (# 3345:20 Unique 5.79, 6.13 A)
&rst
ixpk= 3345, nxpk= 20, iat=1822,1208, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 87 PHE HD 86 PRO HG- 6.50 (# 3347:20 Unique 2.38, 5.68 A)
&rst
ixpk= 3347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1330,1338,
igr2=1312,1313,
&end
#
# 87 PHE HN 86 PRO HG+ 6.50 (# 3348:20 Unique 2.63, 3.79 A)
&rst
ixpk= 3348, nxpk= 20, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1312,1313,
&end
#
# 86 PRO HA 86 PRO HG+ 6.50 (# 3350:20 Unique 2.79, 3.85 A)
&rst
ixpk= 3350, nxpk= 20, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1312,1313,
&end
#
# 86 PRO HD- 86 PRO HG+ 4.50 (# 3351:20 Unique 2.33, 2.61 A)
&rst
ixpk= 3351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1309,1310,
igr2=1312,1313,
&end
#
# 86 PRO HD+ 86 PRO HG+ 4.50 (# 3352:20 Unique 2.33, 2.61 A)
&rst
ixpk= 3352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1309,1310,
igr2=1312,1313,
&end
#
# 86 PRO HD+ 86 PRO HG- 4.50 (# 3353:20 Unique 2.33, 2.61 A)
&rst
ixpk= 3353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1309,1310,
igr2=1312,1313,
&end
#
# 86 PRO HD- 86 PRO HG- 4.50 (# 3354:20 Unique 2.33, 2.61 A)
&rst
ixpk= 3354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1309,1310,
igr2=1312,1313,
&end
#
# 134 GLN HE2- 136 LEU MDX 5.50 (# 3355:20 Unique 4.36, 7.91 A)
&rst
ixpk= 3355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=2023,2024,
igr2=2051,2052,2053,2055,2056,2057,
&end
#
# 0 AMB 20-2:3356 136 LEU MDX 4.50 (# 3356:20 Single Ambig)
&rst
ixpk= 3356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 208, 209, 208, 209,
igr2=2051,2052,2053,2055,2056,2057,
&end
#
# 25 GLU HA 28 ILE HG1+ 4.50 (# 3360:20 Unique 1.95, 4.20 A)
&rst
ixpk= 3360, nxpk= 20, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 422, 423,
&end
#
# 0 AMB 20-2:3361 27 ALA MB 3.50 (# 3361:20 Single Ambig)
&rst
ixpk= 3361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 563,1511,
igr2= 406, 407, 408,
&end
#
# 40 ILE QD1 27 ALA MB 4.50 (# 3363:20 Unique 2.37, 4.61 A)
&rst
ixpk= 3363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 595, 596, 597,
igr2= 406, 407, 408,
&end
#
# 31 ALA HN 28 ILE HA 5.50 (# 3364:20 Unique 3.14, 3.35 A)
&rst
ixpk= 3364, nxpk= 20, iat= 467, 414, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 ASN HD2- 9 ALA MB 3.50 (# 3367:20 Unique 2.14, 3.83 A)
&rst
ixpk= 3367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1743,1744,
igr2= 130, 131, 132,
&end
#
# 125 VAL MGX 125 VAL HA 3.50 (# 3369:20 Unique 2.43, 3.16 A)
&rst
ixpk= 3369, nxpk= 20, iat= -1,1888, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1892,1893,1894,1896,1897,1898,
&end
#
# 0 AMB 20-2:3371 0 AMB 20-1:3371 4.50 (# 3371:20 Double Ambig)
&rst
ixpk= 3371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 241,1166,
igr2=1144,1145,1144,1145,
&end
#
# 48 ARG HA 48 ARG HB+ 5.50 (# 3375:20 Unique 2.25, 2.63 A)
&rst
ixpk= 3375, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 710, 711,
&end
#
# 0 AMB 20-2:3376 0 AMB 20-1:3376 5.50 (# 3376:20 Double Ambig)
&rst
ixpk= 3376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
igr1= 983,1118,1119,1118,1119,1118,1119,1451,1452,
igr2= 716, 717, 716, 717, 716, 717, 716, 717, 716, 717,
&end
#
# 0 AMB 20-2:3377 0 AMB 20-1:3377 4.50 (# 3377:20 Double Ambig)
&rst
ixpk= 3377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 740, 741, 710, 711,
igr2= 716, 717, 716, 717, 716, 717,
&end
#
# 0 AMB 20-2:3378 0 AMB 20-1:3378 4.50 (# 3378:20 Double Ambig)
&rst
ixpk= 3378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 969, 970, 969, 970,1101,1102,
igr2= 716, 717, 716, 717, 716, 717,
&end
#
# 103 GLY HN 102 ASP HA 5.50 (# 2074:20 Unique)
&rst
ixpk= 2074, nxpk= 20, iat=1567,1557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 GLY HA+ 28 ILE QG2 4.50 (# 1702:20 Unique)
&rst
ixpk= 1702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1569,1570,
igr2= 418, 419, 420,
&end
#
# 110 LEU HN 125 VAL MGX 4.50 (# 734:20 Unique)
&rst
ixpk= 734, nxpk= 20, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1892,1893,1894,1896,1897,1898,
&end
#
# 111 LEU HN 111 LEU MDY 4.50 (# 958:20 Unique)
&rst
ixpk= 958, nxpk= 20, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1697,1698,1699,1701,1702,1703,
&end
#
# 112 MET HG- 110 LEU MDX 3.50 (# 909:20 Unique)
&rst
ixpk= 909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1714,1715,
igr2=1678,1679,1680,1682,1683,1684,
&end
#
# 124 LEU HB- 124 LEU MDY 3.50 (# 2125:20 Unique)
&rst
ixpk= 2125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1871,1872,
igr2=1876,1877,1878,1880,1881,1882,
&end
#
# 127 SER HA 107 PRO HB- 4.50 (# 863:20 Unique)
&rst
ixpk= 863, nxpk= 20, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1631,1632,
&end
#
# 129 SER HB+ 129 SER HA 4.50 (# 1171:20 Unique)
&rst
ixpk= 1171, nxpk= 20, iat= -1,1933, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1935,1936,
&end
#
# 130 TRP HA 131 PRO HB- 4.50 (# 3247:20 Unique)
&rst
ixpk= 3247, nxpk= 20, iat=1944, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1973,1974,
&end
#
# 130 TRP HA 131 PRO HB+ 5.50 (# 3245:20 Unique)
&rst
ixpk= 3245, nxpk= 20, iat=1944, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1973,1974,
&end
#
# 18 ALA MB 15 GLU HG+ 4.50 (# 2399:20 Unique)
&rst
ixpk= 2399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 265, 266, 267,
igr2= 229, 230,
&end
#
# 19 ARG HB+ 19 ARG HD+ 3.50 (# 1662:20 Unique)
&rst
ixpk= 1662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 275, 276,
igr2= 281, 282,
&end
#
# 24 LEU HB+ 24 LEU HA 3.50 (# 196:20 Unique)
&rst
ixpk= 196, nxpk= 20, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 353, 354,
&end
#
# 39 GLY HN 27 ALA MB 6.50 (# 3357:20 Unique)
&rst
ixpk= 3357, nxpk= 20, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 406, 407, 408,
&end
#
# 41 HIS HN 50 MET HG+ 6.50 (# 2635:20 Unique)
&rst
ixpk= 2635, nxpk= 20, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 756, 757,
&end
#
# 49 ILE HB 64 LEU HA 5.50 (# 1934:20 Unique)
&rst
ixpk= 1934, nxpk= 20, iat= 734, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ILE HB 68 ALA MB 5.50 (# 2749:20 Unique)
&rst
ixpk= 2749, nxpk= 20, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1043,1044,1045,
&end
#
# 50 MET HG+ 64 LEU HA 5.50 (# 2726:20 Unique)
&rst
ixpk= 2726, nxpk= 20, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 756, 757,
&end
#
# 73 GLN HA 73 GLN HB+ 3.50 (# 1610:20 Unique)
&rst
ixpk= 1610, nxpk= 20, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1101,1102,
&end
#
# 81 SER HN 80 LEU HB+ 4.50 (# 2804:20 Unique)
&rst
ixpk= 2804, nxpk= 20, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1210,1211,
&end
#
# 84 LEU HB- 84 LEU MDX 3.50 (# 1368:20 Unique)
&rst
ixpk= 1368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1276,1277,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 84 LEU HG 84 LEU MDX 3.50 (# 1369:20 Unique)
&rst
ixpk= 1369, nxpk= 20, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1281,1282,1283,1285,1286,1287,
&end
#
# 86 PRO HA 85 GLN HB+ 5.50 (# 469:20 Unique)
&rst
ixpk= 469, nxpk= 20, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1295,1296,
&end
#
# 86 PRO HA 85 GLN HB- 5.50 (# 480:20 Unique)
&rst
ixpk= 480, nxpk= 20, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1295,1296,
&end
#
# 87 PHE HZ 108 PHE HB- 5.50 (# 3044:20 Unique)
&rst
ixpk= 3044, nxpk= 20, iat=1334, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1642,1643,
&end
#
# 90 ASP HN 43 SER HA 4.50 (# 387:20 Unique)
&rst
ixpk= 387, nxpk= 20, iat=1378, 640, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 ASP HN 89 PRO HA 4.50 (# 685:20 Unique)
&rst
ixpk= 685, nxpk= 20, iat=1378,1374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 131 PRO HG- 131 PRO HA 5.50 (# 2139:20 Unique )
&rst
ixpk= 2139, nxpk= 20, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1970,1971,
&end
#
# 87 PHE HN 86 PRO HD- 6.50 (# 2866:20 Unique)
&rst
ixpk= 2866, nxpk= 20, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1309,1310,
&end
#
# 131 PRO HG+ 131 PRO HB- 4.50 (# 2143:20 Unique)
&rst
ixpk= 2143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1970,1971,
igr2=1973,1974,
&end
#
# 124 LEU HN 110 LEU HB- 6.50 (# 3056:20 Unique)
&rst
ixpk= 3056, nxpk= 20, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1673,1674,
&end
#
# 104 GLN HA 103 GLY HA- 4.50 (# 3005:20 Unique)
&rst
ixpk= 3005, nxpk= 20, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1569,1570,
&end
#
# 94 GLN HN 94 GLN HA 5.50 (# 2918:20 Unique)
&rst
ixpk= 2918, nxpk= 20, iat=1427,1429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 GLY HA- 62 VAL MGX 5.50 (# 1887:20 Unique)
&rst
ixpk= 1887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 798, 799,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 20 PHE HE 24 LEU MDX 4.50 (# 1354:20 Unique)
&rst
ixpk= 1354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 305, 309,
igr2= 358, 359, 360, 362, 363, 364,
&end
#
# 24 LEU HN 24 LEU MDX 5.50 (# 1452:20 Unique)
&rst
ixpk= 1452, nxpk= 20, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 358, 359, 360, 362, 363, 364,
&end
#
# 126 CYS HA 132 LEU MDX 4.50 (# 1454:20 Unique)
&rst
ixpk= 1454, nxpk= 20, iat=1904, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 108 PHE HD 132 LEU MDY 5.50 (# 2177:20 Unique)
&rst
ixpk= 2177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1646,1654,
igr2=1989,1990,1991,1993,1994,1995,
&end
#
# 14 ARG HB+ 14 ARG HG- 2.80 (# 2666:20 Unique)
&rst
ixpk= 2666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 202, 203,
igr2= 205, 206,
&end
#
# 132 LEU MDX 132 LEU HA 4.50 (# 2:20 Unique)
&rst
ixpk= 2, nxpk= 20, iat= -1,1982, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1989,1990,1991,1993,1994,1995,
&end
#
# 133 ASP HB+ 132 LEU HA 4.50 (# 4:20 Unique)
&rst
ixpk= 4, nxpk= 20, iat= -1,1982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2003,2004,
&end
#
# 22 ALA MB 22 ALA HA 2.80 (# 181:20 Unique)
&rst
ixpk= 181, nxpk= 20, iat= -1, 331, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 333, 334, 335,
&end
#
# 100 LEU HG 106 THR HA 6.50 (# 3022:20 Unique)
&rst
ixpk= 3022, nxpk= 20, iat=1533,1612, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 97 VAL HA 97 VAL MGY 3.50 (# 502:20 Unique)
&rst
ixpk= 502, nxpk= 20, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1481,1482,1483,1485,1486,1487,
&end
#
# 122 LEU HB- 121 LEU HB+ 4.50 (# 3142:20 Unique)
&rst
ixpk= 3142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1838,1839,
igr2=1819,1820,
&end
#
# 79 GLU HB+ 79 GLU HA 4.50 (# 68:20 Unique)
&rst
ixpk= 68, nxpk= 20, iat= -1,1193, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1195,1196,
&end
#
# 99 ILE QD1 99 ILE HB 4.50 (# 747:20 Unique)
&rst
ixpk= 747, nxpk= 20, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1520,1521,1522,
&end
#
# 96 GLN HN 95 PRO HA 5.50 (# 2037:20 Unique)
&rst
ixpk= 2037, nxpk= 20, iat=1458,1454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 PRO HD+ 86 PRO HB+ 4.50 (# 1876:20 Unique)
&rst
ixpk= 1876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1309,1310,
igr2=1315,1316,
&end
#
# 41 HIS HN 41 HIS HA 5.50 (# 2567:20 Unique)
&rst
ixpk= 2567, nxpk= 20, iat= 601, 603, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 GLU HB+ 118 GLY HN 4.50 (# 0:10 Unique 4.41, 5.10 A)
&rst
ixpk= 0, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1=1790,1791,
&end
#
# 114 ASN HB+ 118 GLY HN 4.50 (# 1:10 Unique 3.27, 4.39 A)
&rst
ixpk= 1, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1738,1739,
&end
#
# 114 ASN HB- 118 GLY HN 4.50 (# 2:10 Unique 3.27, 4.39 A)
&rst
ixpk= 2, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1738,1739,
&end
#
# 118 GLY HA+ 118 GLY HN 3.50 (# 3:10 Unique 2.91, 6.95 A)
&rst
ixpk= 3, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1781,1782,
&end
#
# 0 AMB 10-2:4 118 GLY HN 5.50 (# 4:10 Single Ambig)
&rst
ixpk= 4, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1229,1230,1229,1230,
&end
#
# 0 AMB 10-2:5 118 GLY HN 4.50 (# 5:10 Single Ambig)
&rst
ixpk= 5, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1750,1760,1761,
&end
#
# 118 GLY HA- 118 GLY HN 3.50 (# 6:10 Unique 2.91, 6.95 A)
&rst
ixpk= 6, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1781,1782,
&end
#
# 117 THR HB 118 GLY HN 4.50 (# 7:10 Unique 2.87, 3.66 A)
&rst
ixpk= 7, nxpk= 10, iat=1769,1779, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 THR HA 118 GLY HN 4.50 (# 8:10 Unique 3.50, 3.53 A)
&rst
ixpk= 8, nxpk= 10, iat=1767,1779, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 THR HN 118 GLY HN 3.50 (# 9:10 Unique 2.13, 2.42 A)
&rst
ixpk= 9, nxpk= 10, iat=1765,1779, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 119 GLU HN 118 GLY HN 3.50 (# 10:10 Unique 2.42, 2.49 A)
&rst
ixpk= 10, nxpk= 10, iat=1786,1779, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 GLU HA 7 ASP HN 4.50 (# 13:10 Unique 2.16, 2.66 A)
&rst
ixpk= 13, nxpk= 10, iat= 85, 98, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 ASP HB+ 7 ASP HN 5.50 (# 14:10 Unique 2.02, 2.76 A)
&rst
ixpk= 14, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 102, 103,
&end
#
# 7 ASP HA 8 VAL HN 3.50 (# 20:10 Unique 2.15, 2.83 A)
&rst
ixpk= 20, nxpk= 10, iat= 100, 110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 VAL HA 8 VAL HN 3.50 (# 21:10 Unique 2.27, 2.85 A)
&rst
ixpk= 21, nxpk= 10, iat= 112, 110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 ASP HB+ 8 VAL HN 4.50 (# 22:10 Unique 2.02, 4.13 A)
&rst
ixpk= 22, nxpk= 10, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 102, 103,
&end
#
# 8 VAL HB 8 VAL HN 3.50 (# 23:10 Unique 2.32, 2.48 A)
&rst
ixpk= 23, nxpk= 10, iat= 114, 110, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 VAL MGX 8 VAL HN 3.50 (# 24:10 Unique 2.04, 3.87 A)
&rst
ixpk= 24, nxpk= 10, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 9 ALA HA 9 ALA HN 3.50 (# 26:10 Unique 2.68, 2.79 A)
&rst
ixpk= 26, nxpk= 10, iat= 128, 126, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:27 9 ALA HN 4.50 (# 27:10 Single Ambig)
&rst
ixpk= 27, nxpk= 10, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 102, 103, 140, 141,
&end
#
# 8 VAL HB 9 ALA HN 3.50 (# 28:10 Unique 2.63, 2.86 A)
&rst
ixpk= 28, nxpk= 10, iat= 114, 126, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ALA MB 9 ALA HN 2.80 (# 29:10 Unique 2.16, 2.83 A)
&rst
ixpk= 29, nxpk= 10, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 130, 131, 132,
&end
#
# 8 VAL MGY 9 ALA HN 3.50 (# 30:10 Unique 3.32, 4.70 A)
&rst
ixpk= 30, nxpk= 10, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 0 AMB 10-2:31 9 ALA HN 4.50 (# 31:10 Single Ambig)
&rst
ixpk= 31, nxpk= 10, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1824,1825,1826,1828,1829,1830,1215,1216,1217,1219,
1220,1221,
&end
#
# 12 ARG HN 11 THR HN 3.50 (# 33:10 Unique 2.72, 2.81 A)
&rst
ixpk= 33, nxpk= 10, iat= 164, 150, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 ALA HN 11 THR HN 4.50 (# 34:10 Unique 4.05, 4.17 A)
&rst
ixpk= 34, nxpk= 10, iat= 188, 150, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 THR HB 11 THR HN 2.80 (# 36:10 Unique 2.49, 2.59 A)
&rst
ixpk= 36, nxpk= 10, iat= 154, 150, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 11 THR HA 11 THR HN 3.50 (# 37:10 Unique 2.81, 2.85 A)
&rst
ixpk= 37, nxpk= 10, iat= 152, 150, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:39 11 THR HN 4.50 (# 39:10 Single Ambig)
&rst
ixpk= 39, nxpk= 10, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 156, 157, 158,1819,1820,
&end
#
# 8 VAL MGY 11 THR HN 5.50 (# 40:10 Unique 4.65, 6.12 A)
&rst
ixpk= 40, nxpk= 10, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 14 ARG HN 13 ALA HN 3.50 (# 42:10 Unique 2.65, 2.72 A)
&rst
ixpk= 42, nxpk= 10, iat= 198, 188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:44 13 ALA HN 2.80 (# 44:10 Single Ambig)
&rst
ixpk= 44, nxpk= 10, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 190, 166,
&end
#
# 9 ALA HA 13 ALA HN 4.50 (# 45:10 Unique 3.58, 3.82 A)
&rst
ixpk= 45, nxpk= 10, iat= 128, 188, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 ARG HB- 13 ALA HN 3.50 (# 46:10 Unique 2.66, 3.46 A)
&rst
ixpk= 46, nxpk= 10, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 168, 169,
&end
#
# 12 ARG HB+ 13 ALA HN 3.50 (# 47:10 Unique 2.66, 3.46 A)
&rst
ixpk= 47, nxpk= 10, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 168, 169,
&end
#
# 13 ALA MB 13 ALA HN 2.80 (# 48:10 Unique 2.45, 2.89 A)
&rst
ixpk= 48, nxpk= 10, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 192, 193, 194,
&end
#
# 80 LEU HG 13 ALA HN 4.50 (# 49:10 Unique 3.82, 4.65 A)
&rst
ixpk= 49, nxpk= 10, iat=1213, 188, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 LEU MDX 13 ALA HN 3.50 (# 50:10 Unique 2.75, 4.35 A)
&rst
ixpk= 50, nxpk= 10, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1215,1216,1217,1219,1220,1221,
&end
#
# 121 LEU HG 13 ALA HN 5.50 (# 51:10 Unique 4.15, 4.45 A)
&rst
ixpk= 51, nxpk= 10, iat=1822, 188, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLU HN 14 ARG HN 3.50 (# 52:10 Unique 2.62, 2.67 A)
&rst
ixpk= 52, nxpk= 10, iat= 222, 198, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 ALA HN 14 ARG HN 3.50 (# 53:10 Unique 2.65, 2.72 A)
&rst
ixpk= 53, nxpk= 10, iat= 188, 198, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:54 14 ARG HN 3.50 (# 54:10 Single Ambig)
&rst
ixpk= 54, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 190, 166,
&end
#
# 14 ARG HA 14 ARG HN 3.50 (# 55:10 Unique 2.89, 2.91 A)
&rst
ixpk= 55, nxpk= 10, iat= 200, 198, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:56 14 ARG HN 4.50 (# 56:10 Single Ambig)
&rst
ixpk= 56, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 208, 209, 208, 209,
&end
#
# 0 AMB 10-2:57 14 ARG HN 2.80 (# 57:10 Single Ambig)
&rst
ixpk= 57, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 202, 203, 202, 203,
&end
#
# 14 ARG HG+ 14 ARG HN 3.50 (# 58:10 Unique 2.11, 3.02 A)
&rst
ixpk= 58, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 205, 206,
&end
#
# 12 ARG HG+ 14 ARG HN 6.50 (# 59:10 Unique 6.10, 6.73 A)
&rst
ixpk= 59, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 171, 172,
&end
#
# 14 ARG HG- 14 ARG HN 3.50 (# 60:10 Unique 2.11, 3.02 A)
&rst
ixpk= 60, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 205, 206,
&end
#
# 13 ALA MB 14 ARG HN 3.50 (# 61:10 Unique 2.49, 3.41 A)
&rst
ixpk= 61, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 192, 193, 194,
&end
#
# 0 AMB 10-2:63 14 ARG HN 5.50 (# 63:10 Single Ambig)
&rst
ixpk= 63, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1215,1216,1217,1219,1220,1221,2051,2052,2053,2055,
2056,2057,1876,1877,1878,1880,1881,1882,
&end
#
# 122 LEU MDX 14 ARG HN 4.50 (# 64:10 Unique 3.23, 5.20 A)
&rst
ixpk= 64, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1843,1844,1845,1847,1848,1849,
&end
#
# 121 LEU HG 14 ARG HN 6.50 (# 65:10 Unique 5.57, 5.82 A)
&rst
ixpk= 65, nxpk= 10, iat=1822, 198, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 14 ARG HN 15 GLU HN 3.50 (# 66:10 Unique 2.62, 2.67 A)
&rst
ixpk= 66, nxpk= 10, iat= 198, 222, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 GLU HA 15 GLU HN 3.50 (# 67:10 Unique 2.85, 2.89 A)
&rst
ixpk= 67, nxpk= 10, iat= 224, 222, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 ARG HA 15 GLU HN 4.50 (# 68:10 Unique 3.52, 3.53 A)
&rst
ixpk= 68, nxpk= 10, iat= 200, 222, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 GLU HG+ 15 GLU HN 4.50 (# 69:10 Unique 2.29, 3.49 A)
&rst
ixpk= 69, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 229, 230,
&end
#
# 15 GLU HB+ 15 GLU HN 3.50 (# 71:10 Unique 2.15, 2.82 A)
&rst
ixpk= 71, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 226, 227,
&end
#
# 0 AMB 10-2:72 15 GLU HN 3.50 (# 72:10 Single Ambig)
&rst
ixpk= 72, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 202, 203, 202, 203,
&end
#
# 14 ARG HG+ 15 GLU HN 4.50 (# 73:10 Unique 3.68, 4.71 A)
&rst
ixpk= 73, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 205, 206,
&end
#
# 14 ARG HG- 15 GLU HN 5.50 (# 74:10 Unique 3.68, 4.71 A)
&rst
ixpk= 74, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 205, 206,
&end
#
# 13 ALA MB 15 GLU HN 4.50 (# 75:10 Unique 5.01, 5.57 A)
&rst
ixpk= 75, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 192, 193, 194,
&end
#
# 11 THR MG2 15 GLU HN 4.50 (# 76:10 Unique 4.31, 5.40 A)
&rst
ixpk= 76, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 156, 157, 158,
&end
#
# 0 AMB 10-2:78 15 GLU HN 6.50 (# 78:10 Single Ambig)
&rst
ixpk= 78, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1=1843,1844,1845,1847,1848,1849,1215,1216,1217,1219,
1220,1221,
&end
#
# 18 ALA HN 17 ALA HN 3.50 (# 80:10 Unique 2.76, 2.81 A)
&rst
ixpk= 80, nxpk= 10, iat= 261, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 THR HB 17 ALA HN 4.50 (# 81:10 Unique 2.67, 2.81 A)
&rst
ixpk= 81, nxpk= 10, iat= 241, 251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 THR HA 17 ALA HN 3.50 (# 82:10 Unique 3.55, 3.57 A)
&rst
ixpk= 82, nxpk= 10, iat= 239, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 ALA HA 17 ALA HN 3.50 (# 83:10 Unique 2.85, 2.86 A)
&rst
ixpk= 83, nxpk= 10, iat= 253, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 ARG HA 17 ALA HN 4.50 (# 84:10 Unique 3.44, 3.54 A)
&rst
ixpk= 84, nxpk= 10, iat= 200, 251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 ALA MB 17 ALA HN 2.80 (# 85:10 Unique 2.42, 2.86 A)
&rst
ixpk= 85, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 255, 256, 257,
&end
#
# 0 AMB 10-2:86 17 ALA HN 5.50 (# 86:10 Single Ambig)
&rst
ixpk= 86, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1876,1877,1878,1880,1881,1882,1215,1216,1217,1219,
1220,1221,
&end
#
# 0 AMB 10-2:87 17 ALA HN 4.50 (# 87:10 Single Ambig)
&rst
ixpk= 87, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1843,1844,1845,1847,1848,1849,1215,1216,1217,1219,
1220,1221,
&end
#
# 17 ALA HN 18 ALA HN 3.50 (# 88:10 Unique 2.76, 2.81 A)
&rst
ixpk= 88, nxpk= 10, iat= 251, 261, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 ALA HA 18 ALA HN 4.50 (# 90:10 Unique 3.60, 3.62 A)
&rst
ixpk= 90, nxpk= 10, iat= 253, 261, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 ALA MB 18 ALA HN 2.80 (# 91:10 Unique 2.46, 2.86 A)
&rst
ixpk= 91, nxpk= 10, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 265, 266, 267,
&end
#
# 20 PHE HN 19 ARG HN 3.50 (# 93:10 Unique 2.69, 2.82 A)
&rst
ixpk= 93, nxpk= 10, iat= 295, 271, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:94 19 ARG HN 3.50 (# 94:10 Single Ambig)
&rst
ixpk= 94, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 273, 263,
&end
#
# 0 AMB 10-2:95 19 ARG HN 4.50 (# 95:10 Single Ambig)
&rst
ixpk= 95, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 239, 224,
&end
#
# 19 ARG HG- 19 ARG HN 4.50 (# 97:10 Unique 2.38, 3.72 A)
&rst
ixpk= 97, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 278, 279,
&end
#
# 19 ARG HG+ 19 ARG HN 4.50 (# 98:10 Unique 2.38, 3.72 A)
&rst
ixpk= 98, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 278, 279,
&end
#
# 18 ALA MB 19 ARG HN 2.80 (# 99:10 Unique 2.57, 3.42 A)
&rst
ixpk= 99, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 265, 266, 267,
&end
#
# 22 ALA HN 21 THR HN 3.50 (# 100:10 Unique 2.86, 2.89 A)
&rst
ixpk= 100, nxpk= 10, iat= 329, 315, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 THR HB 21 THR HN 3.50 (# 103:10 Unique 2.54, 2.68 A)
&rst
ixpk= 103, nxpk= 10, iat= 319, 315, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:104 21 THR HN 4.50 (# 104:10 Single Ambig)
&rst
ixpk= 104, nxpk= 10, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 263, 273,
&end
#
# 0 AMB 10-2:105 21 THR HN 3.50 (# 105:10 Single Ambig)
&rst
ixpk= 105, nxpk= 10, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 317, 297,
&end
#
# 20 PHE HB- 21 THR HN 3.50 (# 106:10 Unique 2.58, 3.36 A)
&rst
ixpk= 106, nxpk= 10, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 299, 300,
&end
#
# 20 PHE HB+ 21 THR HN 4.50 (# 107:10 Unique 2.58, 3.36 A)
&rst
ixpk= 107, nxpk= 10, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 299, 300,
&end
#
# 21 THR MG2 21 THR HN 4.50 (# 108:10 Unique 3.01, 4.54 A)
&rst
ixpk= 108, nxpk= 10, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 321, 322, 323,
&end
#
# 0 AMB 10-2:109 21 THR HN 5.50 (# 109:10 Single Ambig)
&rst
ixpk= 109, nxpk= 10, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1876,1877,1878,1880,1881,1882, 358, 359, 360, 362,
363, 364,
&end
#
# 24 LEU HN 23 ALA HN 3.50 (# 110:10 Unique 2.66, 2.70 A)
&rst
ixpk= 110, nxpk= 10, iat= 349, 339, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 THR HN 23 ALA HN 5.50 (# 111:10 Unique 4.15, 4.22 A)
&rst
ixpk= 111, nxpk= 10, iat= 315, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ALA HA 23 ALA HN 3.50 (# 112:10 Unique 3.57, 3.58 A)
&rst
ixpk= 112, nxpk= 10, iat= 331, 339, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 ALA HA 23 ALA HN 4.50 (# 113:10 Unique 2.85, 2.87 A)
&rst
ixpk= 113, nxpk= 10, iat= 341, 339, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:114 23 ALA HN 4.50 (# 114:10 Single Ambig)
&rst
ixpk= 114, nxpk= 10, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 297, 317,
&end
#
# 0 AMB 10-2:115 23 ALA HN 2.80 (# 115:10 Single Ambig)
&rst
ixpk= 115, nxpk= 10, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 343, 344, 345, 333, 334, 335,
&end
#
# 0 AMB 10-2:116 23 ALA HN 5.50 (# 116:10 Single Ambig)
&rst
ixpk= 116, nxpk= 10, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 392, 393, 394, 396, 397, 398, 358, 359, 360, 362,
363, 364,
&end
#
# 26 LEU HN 25 GLU HN 3.50 (# 117:10 Unique 2.69, 2.75 A)
&rst
ixpk= 117, nxpk= 10, iat= 383, 368, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 ALA HA 25 GLU HN 4.50 (# 118:10 Unique 3.08, 3.21 A)
&rst
ixpk= 118, nxpk= 10, iat= 331, 368, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:119 25 GLU HN 4.50 (# 119:10 Single Ambig)
&rst
ixpk= 119, nxpk= 10, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 351, 317,
&end
#
# 25 GLU HA 25 GLU HN 3.50 (# 120:10 Unique 2.85, 2.87 A)
&rst
ixpk= 120, nxpk= 10, iat= 370, 368, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 GLU HB- 25 GLU HN 2.80 (# 121:10 Unique 2.22, 2.56 A)
&rst
ixpk= 121, nxpk= 10, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 372, 373,
&end
#
# 0 AMB 10-2:122 25 GLU HN 4.50 (# 122:10 Single Ambig)
&rst
ixpk= 122, nxpk= 10, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 353, 354, 375, 376,
&end
#
# 0 AMB 10-2:123 25 GLU HN 4.50 (# 123:10 Single Ambig)
&rst
ixpk= 123, nxpk= 10, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 333, 334, 335, 343, 344, 345,
&end
#
# 24 LEU HB+ 25 GLU HN 4.50 (# 124:10 Unique 2.71, 3.40 A)
&rst
ixpk= 124, nxpk= 10, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 353, 354,
&end
#
# 24 LEU MDX 25 GLU HN 4.50 (# 125:10 Unique 4.69, 5.66 A)
&rst
ixpk= 125, nxpk= 10, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 358, 359, 360, 362, 363, 364,
&end
#
# 0 AMB 10-2:126 25 GLU HN 5.50 (# 126:10 Single Ambig)
&rst
ixpk= 126, nxpk= 10, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 425, 426, 427, 595, 596, 597,
&end
#
# 0 AMB 10-2:127 25 GLU HN 6.50 (# 127:10 Single Ambig)
&rst
ixpk= 127, nxpk= 10, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
igr1= 358, 359, 360, 362, 363, 364,1517,1518,
&end
#
# 25 GLU HN 26 LEU HN 3.50 (# 128:10 Unique 2.69, 2.75 A)
&rst
ixpk= 128, nxpk= 10, iat= 368, 383, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 ALA HN 26 LEU HN 3.50 (# 129:10 Unique 2.84, 2.88 A)
&rst
ixpk= 129, nxpk= 10, iat= 402, 383, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 ALA HA 26 LEU HN 4.50 (# 130:10 Unique 3.23, 3.38 A)
&rst
ixpk= 130, nxpk= 10, iat= 341, 383, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 GLU HA 26 LEU HN 4.50 (# 131:10 Unique 3.57, 3.58 A)
&rst
ixpk= 131, nxpk= 10, iat= 370, 383, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 GLU HB+ 26 LEU HN 3.50 (# 132:10 Unique 2.35, 3.03 A)
&rst
ixpk= 132, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 372, 373,
&end
#
# 26 LEU HB- 26 LEU HN 2.80 (# 133:10 Unique 2.03, 2.41 A)
&rst
ixpk= 133, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 387, 388,
&end
#
# 26 LEU HB+ 26 LEU HN 2.80 (# 134:10 Unique 2.03, 2.41 A)
&rst
ixpk= 134, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 387, 388,
&end
#
# 0 AMB 10-2:135 26 LEU HN 4.50 (# 135:10 Single Ambig)
&rst
ixpk= 135, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 406, 407, 408,1517,1518,
&end
#
# 0 AMB 10-2:136 26 LEU HN 6.50 (# 136:10 Single Ambig)
&rst
ixpk= 136, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1= 565, 566, 567, 569, 570, 571, 772, 773, 774, 776,
777, 778,
&end
#
# 26 LEU MDX 26 LEU HN 4.50 (# 137:10 Unique 4.35, 5.12 A)
&rst
ixpk= 137, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 392, 393, 394, 396, 397, 398,
&end
#
# 31 ALA HN 30 ARG HN 3.50 (# 138:10 Unique 2.72, 2.75 A)
&rst
ixpk= 138, nxpk= 10, iat= 467, 443, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 ASP HN 0 AMB 10-1:139 3.50 (# 139:10 Single Ambig)
&rst
ixpk= 139, nxpk= 10, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 412, 443,
&end
#
# 30 ARG HA 30 ARG HN 3.50 (# 140:10 Unique 2.86, 2.90 A)
&rst
ixpk= 140, nxpk= 10, iat= 445, 443, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 ASP HA 30 ARG HN 4.50 (# 141:10 Unique 3.57, 3.59 A)
&rst
ixpk= 141, nxpk= 10, iat= 433, 443, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 ILE HA 28 ILE HN 3.50 (# 142:10 Unique 2.86, 2.89 A)
&rst
ixpk= 142, nxpk= 10, iat= 414, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 GLU HA 28 ILE HN 4.50 (# 143:10 Unique 3.19, 3.28 A)
&rst
ixpk= 143, nxpk= 10, iat= 370, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 ASP HB+ 30 ARG HN 3.50 (# 144:10 Unique 2.51, 3.23 A)
&rst
ixpk= 144, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 435, 436,
&end
#
# 28 ILE HB 28 ILE HN 2.80 (# 146:10 Unique 2.36, 2.45 A)
&rst
ixpk= 146, nxpk= 10, iat= 416, 412, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 27 ALA MB 28 ILE HN 3.50 (# 147:10 Unique 2.60, 3.54 A)
&rst
ixpk= 147, nxpk= 10, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 406, 407, 408,
&end
#
# 38 VAL MGX 30 ARG HN 4.50 (# 148:10 Unique 3.68, 5.53 A)
&rst
ixpk= 148, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 565, 566, 567, 569, 570, 571,
&end
#
# 31 ALA MB 0 AMB 10-1:149 4.50 (# 149:10 Single Ambig)
&rst
ixpk= 149, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 471, 472, 473,
igr2= 412, 443,
&end
#
# 38 VAL MGY 30 ARG HN 4.50 (# 150:10 Unique 3.68, 5.53 A)
&rst
ixpk= 150, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 565, 566, 567, 569, 570, 571,
&end
#
# 28 ILE QG2 28 ILE HN 4.50 (# 151:10 Unique 4.33, 4.57 A)
&rst
ixpk= 151, nxpk= 10, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 418, 419, 420,
&end
#
# 28 ILE QD1 28 ILE HN 4.50 (# 152:10 Unique 2.70, 4.21 A)
&rst
ixpk= 152, nxpk= 10, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 425, 426, 427,
&end
#
# 30 ARG HN 31 ALA HN 3.50 (# 153:10 Unique 2.72, 2.75 A)
&rst
ixpk= 153, nxpk= 10, iat= 443, 467, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 ALA HA 31 ALA HN 3.50 (# 154:10 Unique 2.84, 2.89 A)
&rst
ixpk= 154, nxpk= 10, iat= 469, 467, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:156 31 ALA HN 4.50 (# 156:10 Single Ambig)
&rst
ixpk= 156, nxpk= 10, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 433, 481,
&end
#
# 0 AMB 10-2:157 31 ALA HN 4.50 (# 157:10 Single Ambig)
&rst
ixpk= 157, nxpk= 10, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 445, 514, 515,
&end
#
# 28 ILE HA 31 ALA HN 4.50 (# 158:10 Unique 3.14, 3.35 A)
&rst
ixpk= 158, nxpk= 10, iat= 414, 467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ARG HB+ 31 ALA HN 3.50 (# 159:10 Unique 2.76, 3.49 A)
&rst
ixpk= 159, nxpk= 10, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 447, 448,
&end
#
# 31 ALA MB 31 ALA HN 3.50 (# 160:10 Unique 2.34, 2.90 A)
&rst
ixpk= 160, nxpk= 10, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 471, 472, 473,
&end
#
# 38 VAL MGY 31 ALA HN 3.50 (# 161:10 Unique 2.74, 4.46 A)
&rst
ixpk= 161, nxpk= 10, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 565, 566, 567, 569, 570, 571,
&end
#
# 0 AMB 10-2:162 31 ALA HN 5.50 (# 162:10 Single Ambig)
&rst
ixpk= 162, nxpk= 10, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1513,1514,1515, 772, 773, 774, 776, 777, 778,
&end
#
# 33 LEU HN 32 THR HN 2.80 (# 163:10 Unique 2.46, 2.56 A)
&rst
ixpk= 163, nxpk= 10, iat= 491, 477, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 31 ALA HN 32 THR HN 3.50 (# 164:10 Unique 2.70, 2.76 A)
&rst
ixpk= 164, nxpk= 10, iat= 467, 477, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 ALA HA 32 THR HN 4.50 (# 166:10 Unique 3.55, 3.60 A)
&rst
ixpk= 166, nxpk= 10, iat= 469, 477, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:167 32 THR HN 3.50 (# 167:10 Single Ambig)
&rst
ixpk= 167, nxpk= 10, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 481, 433,
&end
#
# 32 THR HA 32 THR HN 3.50 (# 168:10 Unique 2.90, 2.94 A)
&rst
ixpk= 168, nxpk= 10, iat= 479, 477, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 ALA HA 32 THR HN 4.50 (# 169:10 Unique 2.97, 3.36 A)
&rst
ixpk= 169, nxpk= 10, iat=1547, 477, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 ILE HA 32 THR HN 5.50 (# 170:10 Unique 4.00, 4.26 A)
&rst
ixpk= 170, nxpk= 10, iat= 414, 477, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 THR MG2 32 THR HN 2.80 (# 171:10 Unique 2.27, 3.19 A)
&rst
ixpk= 171, nxpk= 10, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 483, 484, 485,
&end
#
# 0 AMB 10-2:172 32 THR HN 5.50 (# 172:10 Single Ambig)
&rst
ixpk= 172, nxpk= 10, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1513,1514,1515, 772, 773, 774, 776, 777, 778,
&end
#
# 38 VAL MGY 32 THR HN 5.50 (# 173:10 Unique 5.17, 6.82 A)
&rst
ixpk= 173, nxpk= 10, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 565, 566, 567, 569, 570, 571,
&end
#
# 0 AMB 10-2:174 33 LEU HN 4.50 (# 174:10 Single Ambig)
&rst
ixpk= 174, nxpk= 10, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 481, 433, 512,
&end
#
# 33 LEU HA 33 LEU HN 2.80 (# 175:10 Unique 2.85, 2.88 A)
&rst
ixpk= 175, nxpk= 10, iat= 493, 491, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 33 LEU HB- 33 LEU HN 2.80 (# 177:10 Unique 2.31, 2.96 A)
&rst
ixpk= 177, nxpk= 10, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 495, 496,
&end
#
# 33 LEU HB+ 33 LEU HN 3.50 (# 178:10 Unique 2.31, 2.96 A)
&rst
ixpk= 178, nxpk= 10, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 495, 496,
&end
#
# 32 THR MG2 33 LEU HN 3.50 (# 179:10 Unique 2.62, 3.41 A)
&rst
ixpk= 179, nxpk= 10, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 483, 484, 485,
&end
#
# 33 LEU MDX 33 LEU HN 3.50 (# 180:10 Unique 3.58, 4.51 A)
&rst
ixpk= 180, nxpk= 10, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 500, 501, 502, 504, 505, 506,
&end
#
# 31 ALA HA 34 SER HN 4.50 (# 182:10 Unique 3.37, 3.62 A)
&rst
ixpk= 182, nxpk= 10, iat= 469, 510, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 SER HA 34 SER HN 3.50 (# 183:10 Unique 2.85, 2.90 A)
&rst
ixpk= 183, nxpk= 10, iat= 512, 510, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 LEU HA 34 SER HN 3.50 (# 184:10 Unique 3.50, 3.54 A)
&rst
ixpk= 184, nxpk= 10, iat= 493, 510, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 SER HB- 34 SER HN 3.50 (# 185:10 Unique 2.32, 2.97 A)
&rst
ixpk= 185, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 514, 515,
&end
#
# 34 SER HB+ 34 SER HN 3.50 (# 186:10 Unique 2.32, 2.97 A)
&rst
ixpk= 186, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 514, 515,
&end
#
# 33 LEU HG 34 SER HN 4.50 (# 188:10 Unique 2.42, 4.22 A)
&rst
ixpk= 188, nxpk= 10, iat= 498, 510, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 LEU HB- 34 SER HN 4.50 (# 189:10 Unique 2.58, 3.31 A)
&rst
ixpk= 189, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 495, 496,
&end
#
# 33 LEU HB+ 34 SER HN 4.50 (# 190:10 Unique 2.58, 3.31 A)
&rst
ixpk= 190, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 495, 496,
&end
#
# 0 AMB 10-2:192 34 SER HN 5.50 (# 192:10 Single Ambig)
&rst
ixpk= 192, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 565, 566, 567, 569, 570, 571, 772, 773, 774, 776,
777, 778,
&end
#
# 33 LEU MDX 34 SER HN 4.50 (# 193:10 Unique 3.16, 5.59 A)
&rst
ixpk= 193, nxpk= 10, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 500, 501, 502, 504, 505, 506,
&end
#
# 0 AMB 10-2:194 35 GLY HN 2.80 (# 194:10 Single Ambig)
&rst
ixpk= 194, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 528, 510,
&end
#
# 31 ALA HA 35 GLY HN 4.50 (# 196:10 Unique 4.04, 4.42 A)
&rst
ixpk= 196, nxpk= 10, iat= 469, 521, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 SER HA 35 GLY HN 3.50 (# 197:10 Unique 3.35, 3.45 A)
&rst
ixpk= 197, nxpk= 10, iat= 512, 521, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 SER HB+ 35 GLY HN 4.50 (# 199:10 Unique 2.93, 3.82 A)
&rst
ixpk= 199, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 514, 515,
&end
#
# 36 GLN HB+ 35 GLY HN 5.50 (# 201:10 Unique 5.24, 5.70 A)
&rst
ixpk= 201, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 532, 533,
&end
#
# 33 LEU MDX 35 GLY HN 5.50 (# 203:10 Unique 5.06, 7.47 A)
&rst
ixpk= 203, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 500, 501, 502, 504, 505, 506,
&end
#
# 34 SER HB+ 33 LEU HN 4.50 (# 206:10 Unique 4.65, 5.39 A)
&rst
ixpk= 206, nxpk= 10, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 514, 515,
&end
#
# 36 GLN HB- 36 GLN HN 3.50 (# 208:10 Unique 2.66, 3.14 A)
&rst
ixpk= 208, nxpk= 10, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 532, 533,
&end
#
# 39 GLY HN 38 VAL HN 5.50 (# 209:10 Unique 4.48, 4.59 A)
&rst
ixpk= 209, nxpk= 10, iat= 575, 559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 ILE HN 38 VAL HN 4.50 (# 210:10 Unique 2.88, 3.08 A)
&rst
ixpk= 210, nxpk= 10, iat=1507, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 PRO HA 38 VAL HN 2.80 (# 211:10 Unique 2.18, 2.26 A)
&rst
ixpk= 211, nxpk= 10, iat= 555, 559, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 100 LEU HA 38 VAL HN 4.50 (# 213:10 Unique 3.96, 4.13 A)
&rst
ixpk= 213, nxpk= 10, iat=1528, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 PRO HB- 38 VAL HN 3.50 (# 214:10 Unique 2.84, 3.31 A)
&rst
ixpk= 214, nxpk= 10, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 552, 553,
&end
#
# 37 PRO HB+ 38 VAL HN 3.50 (# 215:10 Unique 2.84, 3.31 A)
&rst
ixpk= 215, nxpk= 10, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 552, 553,
&end
#
# 0 AMB 10-2:216 38 VAL HN 5.50 (# 216:10 Single Ambig)
&rst
ixpk= 216, nxpk= 10, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 786, 787,1530,1531,
&end
#
# 0 AMB 10-2:217 38 VAL HN 3.50 (# 217:10 Single Ambig)
&rst
ixpk= 217, nxpk= 10, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 563,1511,
&end
#
# 0 AMB 10-2:218 38 VAL HN 4.50 (# 218:10 Single Ambig)
&rst
ixpk= 218, nxpk= 10, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 406, 407, 408,1517,1518, 450, 451,
&end
#
# 31 ALA MB 38 VAL HN 3.50 (# 219:10 Unique 2.43, 3.43 A)
&rst
ixpk= 219, nxpk= 10, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 471, 472, 473,
&end
#
# 38 VAL MGX 38 VAL HN 3.50 (# 220:10 Unique 2.39, 4.20 A)
&rst
ixpk= 220, nxpk= 10, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 565, 566, 567, 569, 570, 571,
&end
#
# 0 AMB 10-2:221 38 VAL HN 5.50 (# 221:10 Single Ambig)
&rst
ixpk= 221, nxpk= 10, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 772, 773, 774, 776, 777, 778, 418, 419, 420,
&end
#
# 39 GLY HN 40 ILE HN 4.50 (# 222:10 Unique 4.45, 4.48 A)
&rst
ixpk= 222, nxpk= 10, iat= 575, 582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 ILE HN 40 ILE HN 5.50 (# 223:10 Unique 4.86, 5.23 A)
&rst
ixpk= 223, nxpk= 10, iat=1507, 582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 VAL HN 40 ILE HN 4.50 (# 224:10 Unique 2.93, 3.13 A)
&rst
ixpk= 224, nxpk= 10, iat=1475, 582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 ILE HA 40 ILE HN 4.50 (# 226:10 Unique 2.97, 2.98 A)
&rst
ixpk= 226, nxpk= 10, iat= 584, 582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 VAL HA 40 ILE HN 4.50 (# 227:10 Unique 3.52, 3.70 A)
&rst
ixpk= 227, nxpk= 10, iat=1493, 582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 VAL HB 40 ILE HN 4.50 (# 229:10 Unique 2.81, 2.96 A)
&rst
ixpk= 229, nxpk= 10, iat=1479, 582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 PRO HB+ 40 ILE HN 3.50 (# 230:10 Unique 2.22, 2.79 A)
&rst
ixpk= 230, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1451,1452,
&end
#
# 40 ILE HG1- 40 ILE HN 4.50 (# 231:10 Unique 2.78, 3.47 A)
&rst
ixpk= 231, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 592, 593,
&end
#
# 40 ILE HG1+ 40 ILE HN 3.50 (# 232:10 Unique 2.78, 3.47 A)
&rst
ixpk= 232, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 592, 593,
&end
#
# 99 ILE QD1 40 ILE HN 4.50 (# 233:10 Unique 3.43, 4.01 A)
&rst
ixpk= 233, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1520,1521,1522,
&end
#
# 0 AMB 10-2:234 40 ILE HN 4.50 (# 234:10 Single Ambig)
&rst
ixpk= 234, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1448,1449,1462,1463,
&end
#
# 40 ILE QG2 40 ILE HN 4.50 (# 235:10 Unique 4.49, 4.80 A)
&rst
ixpk= 235, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 588, 589, 590,
&end
#
# 95 PRO HG- 40 ILE HN 4.50 (# 236:10 Unique 4.12, 4.41 A)
&rst
ixpk= 236, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1448,1449,
&end
#
# 45 SER HN 44 ASP HN 4.50 (# 237:10 Unique 2.46, 2.81 A)
&rst
ixpk= 237, nxpk= 10, iat= 661, 649, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 SER HA 44 ASP HN 3.50 (# 238:10 Unique 2.41, 2.67 A)
&rst
ixpk= 238, nxpk= 10, iat= 640, 649, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 SER HB+ 44 ASP HN 4.50 (# 240:10 Unique 1.98, 3.19 A)
&rst
ixpk= 240, nxpk= 10, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 642, 643,
&end
#
# 0 AMB 10-2:241 44 ASP HN 3.50 (# 241:10 Single Ambig)
&rst
ixpk= 241, nxpk= 10, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 653, 654, 653, 654,
&end
#
# 89 PRO HB- 44 ASP HN 6.50 (# 242:10 Unique 2.87, 4.46 A)
&rst
ixpk= 242, nxpk= 10, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1371,1372,
&end
#
# 46 ALA HN 45 SER HN 4.50 (# 243:10 Unique 1.86, 2.20 A)
&rst
ixpk= 243, nxpk= 10, iat= 672, 661, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ASP HN 45 SER HN 4.50 (# 244:10 Unique 2.46, 2.81 A)
&rst
ixpk= 244, nxpk= 10, iat= 649, 661, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 SER HA 45 SER HN 3.50 (# 245:10 Unique 2.23, 2.94 A)
&rst
ixpk= 245, nxpk= 10, iat= 663, 661, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 SER HB- 45 SER HN 4.50 (# 246:10 Unique 2.80, 3.83 A)
&rst
ixpk= 246, nxpk= 10, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 642, 643,
&end
#
# 43 SER HB+ 45 SER HN 4.50 (# 247:10 Unique 2.80, 3.83 A)
&rst
ixpk= 247, nxpk= 10, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 642, 643,
&end
#
# 45 SER HB- 45 SER HN 4.50 (# 248:10 Unique 2.46, 3.33 A)
&rst
ixpk= 248, nxpk= 10, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 665, 666,
&end
#
# 45 SER HB+ 45 SER HN 4.50 (# 249:10 Unique 2.46, 3.33 A)
&rst
ixpk= 249, nxpk= 10, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 665, 666,
&end
#
# 0 AMB 10-2:250 45 SER HN 4.50 (# 250:10 Single Ambig)
&rst
ixpk= 250, nxpk= 10, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 653, 654, 653, 654,
&end
#
# 46 ALA MB 45 SER HN 5.50 (# 251:10 Unique 4.15, 5.14 A)
&rst
ixpk= 251, nxpk= 10, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 676, 677, 678,
&end
#
# 45 SER HN 46 ALA HN 4.50 (# 252:10 Unique 1.86, 2.20 A)
&rst
ixpk= 252, nxpk= 10, iat= 661, 672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:253 46 ALA HN 4.50 (# 253:10 Single Ambig)
&rst
ixpk= 253, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 638, 649,
&end
#
# 45 SER HA 46 ALA HN 4.50 (# 254:10 Unique 2.97, 3.49 A)
&rst
ixpk= 254, nxpk= 10, iat= 663, 672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 SER HB- 46 ALA HN 4.50 (# 255:10 Unique 2.15, 3.77 A)
&rst
ixpk= 255, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 642, 643,
&end
#
# 46 ALA HA 46 ALA HN 3.50 (# 256:10 Unique 2.90, 2.96 A)
&rst
ixpk= 256, nxpk= 10, iat= 674, 672, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 SER HB+ 46 ALA HN 5.50 (# 257:10 Unique 2.15, 3.77 A)
&rst
ixpk= 257, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 642, 643,
&end
#
# 45 SER HB- 46 ALA HN 5.50 (# 258:10 Unique 2.61, 3.96 A)
&rst
ixpk= 258, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 665, 666,
&end
#
# 45 SER HB+ 46 ALA HN 5.50 (# 259:10 Unique 2.61, 3.96 A)
&rst
ixpk= 259, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 665, 666,
&end
#
# 0 AMB 10-2:260 46 ALA HN 5.50 (# 260:10 Single Ambig)
&rst
ixpk= 260, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 653, 654, 653, 654,
&end
#
# 46 ALA MB 46 ALA HN 3.50 (# 261:10 Unique 2.53, 3.31 A)
&rst
ixpk= 261, nxpk= 10, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 676, 677, 678,
&end
#
# 51 VAL HN 50 MET HN 5.50 (# 262:10 Unique 4.39, 4.43 A)
&rst
ixpk= 262, nxpk= 10, iat= 766, 749, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 MET HA 50 MET HN 4.50 (# 263:10 Unique 2.97, 2.98 A)
&rst
ixpk= 263, nxpk= 10, iat= 751, 749, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:264 50 MET HN 5.50 (# 264:10 Single Ambig)
&rst
ixpk= 264, nxpk= 10, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 980, 981, 740, 741,
&end
#
# 40 ILE HG1- 50 MET HN 4.50 (# 265:10 Unique 3.56, 4.31 A)
&rst
ixpk= 265, nxpk= 10, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 592, 593,
&end
#
# 49 ILE QG2 50 MET HN 3.50 (# 266:10 Unique 2.42, 3.17 A)
&rst
ixpk= 266, nxpk= 10, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 736, 737, 738,
&end
#
# 0 AMB 10-2:267 50 MET HN 4.50 (# 267:10 Single Ambig)
&rst
ixpk= 267, nxpk= 10, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 985, 986, 987, 989, 990, 991, 743, 744, 745,
&end
#
# 63 PRO HA 51 VAL HN 4.50 (# 270:10 Unique 3.70, 3.93 A)
&rst
ixpk= 270, nxpk= 10, iat= 972, 766, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 MET HB+ 51 VAL HN 4.50 (# 271:10 Unique 2.75, 3.42 A)
&rst
ixpk= 271, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 753, 754,
&end
#
# 0 AMB 10-2:272 51 VAL HN 4.50 (# 272:10 Single Ambig)
&rst
ixpk= 272, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 980, 981, 760, 761, 762,
&end
#
# 64 LEU HB+ 51 VAL HN 4.50 (# 273:10 Unique 3.13, 4.58 A)
&rst
ixpk= 273, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 980, 981,
&end
#
# 51 VAL MGY 51 VAL HN 4.50 (# 274:10 Unique 2.18, 3.64 A)
&rst
ixpk= 274, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 772, 773, 774, 776, 777, 778,
&end
#
# 51 VAL MGX 51 VAL HN 3.50 (# 275:10 Unique 2.18, 3.64 A)
&rst
ixpk= 275, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 772, 773, 774, 776, 777, 778,
&end
#
# 54 LYS HA 55 THR HN 4.50 (# 276:10 Unique 3.43, 3.50 A)
&rst
ixpk= 276, nxpk= 10, iat= 805, 825, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:277 55 THR HN 5.50 (# 277:10 Single Ambig)
&rst
ixpk= 277, nxpk= 10, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 789, 790, 868, 869, 870,
&end
#
# 0 AMB 10-2:278 55 THR HN 5.50 (# 278:10 Single Ambig)
&rst
ixpk= 278, nxpk= 10, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 831, 832, 833, 835,
&end
#
# 99 ILE HN 98 VAL HN 5.50 (# 279:10 Unique 4.32, 4.40 A)
&rst
ixpk= 279, nxpk= 10, iat=1507,1491, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 THR HN 98 VAL HN 4.50 (# 280:10 Unique 2.89, 3.06 A)
&rst
ixpk= 280, nxpk= 10, iat=1610,1491, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 VAL HA 98 VAL HN 4.50 (# 281:10 Unique 2.98, 2.99 A)
&rst
ixpk= 281, nxpk= 10, iat=1493,1491, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 VAL HA 98 VAL HN 2.80 (# 282:10 Unique 2.20, 2.22 A)
&rst
ixpk= 282, nxpk= 10, iat=1477,1491, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 98 VAL HB 98 VAL HN 3.50 (# 283:10 Unique 2.72, 2.78 A)
&rst
ixpk= 283, nxpk= 10, iat=1495,1491, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 VAL MGX 98 VAL HN 3.50 (# 284:10 Unique 2.72, 4.14 A)
&rst
ixpk= 284, nxpk= 10, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 99 ILE QD1 98 VAL HN 4.50 (# 285:10 Unique 3.78, 4.96 A)
&rst
ixpk= 285, nxpk= 10, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1520,1521,1522,
&end
#
# 97 VAL MGY 98 VAL HN 3.50 (# 286:10 Unique 2.72, 4.14 A)
&rst
ixpk= 286, nxpk= 10, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 65 GLN HA 66 GLU HN 3.50 (# 287:10 Unique 2.30, 3.33 A)
&rst
ixpk= 287, nxpk= 10, iat= 997,1012, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 GLU HA 66 GLU HN 3.50 (# 288:10 Unique 2.24, 2.83 A)
&rst
ixpk= 288, nxpk= 10, iat=1014,1012, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:289 66 GLU HN 4.50 (# 289:10 Single Ambig)
&rst
ixpk= 289, nxpk= 10, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1019,1020,1019,1020,
&end
#
# 0 AMB 10-2:290 66 GLU HN 3.50 (# 290:10 Single Ambig)
&rst
ixpk= 290, nxpk= 10, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 999,1000,1016,1017,
&end
#
# 0 AMB 10-2:291 66 GLU HN 3.50 (# 291:10 Single Ambig)
&rst
ixpk= 291, nxpk= 10, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 999,1000,1016,1017,
&end
#
# 66 GLU HA 67 ASP HN 3.50 (# 292:10 Unique 2.13, 3.29 A)
&rst
ixpk= 292, nxpk= 10, iat=1014,1027, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 132 LEU HA 133 ASP HN 2.80 (# 293:10 Unique 2.13, 2.29 A)
&rst
ixpk= 293, nxpk= 10, iat=1982,1999, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 67 ASP HA 67 ASP HN 3.50 (# 294:10 Unique 2.23, 2.85 A)
&rst
ixpk= 294, nxpk= 10, iat=1029,1027, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 ASP HB+ 67 ASP HN 3.50 (# 295:10 Unique 2.37, 2.91 A)
&rst
ixpk= 295, nxpk= 10, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1031,1032,
&end
#
# 0 AMB 10-2:296 67 ASP HN 4.50 (# 296:10 Single Ambig)
&rst
ixpk= 296, nxpk= 10, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1019,1020,1019,1020,
&end
#
# 66 GLU HB- 67 ASP HN 4.50 (# 297:10 Unique 1.97, 3.39 A)
&rst
ixpk= 297, nxpk= 10, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1016,1017,
&end
#
# 66 GLU HB+ 67 ASP HN 4.50 (# 298:10 Unique 1.97, 3.39 A)
&rst
ixpk= 298, nxpk= 10, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1016,1017,
&end
#
# 133 ASP HB+ 133 ASP HN 2.80 (# 299:10 Unique 2.33, 2.56 A)
&rst
ixpk= 299, nxpk= 10, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2003,2004,
&end
#
# 0 AMB 10-2:300 133 ASP HN 4.50 (# 300:10 Single Ambig)
&rst
ixpk= 300, nxpk= 10, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1890,2015,2016,
&end
#
# 132 LEU HB- 133 ASP HN 3.50 (# 301:10 Unique 2.28, 3.21 A)
&rst
ixpk= 301, nxpk= 10, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1984,1985,
&end
#
# 132 LEU HB+ 133 ASP HN 2.80 (# 302:10 Unique 2.28, 3.21 A)
&rst
ixpk= 302, nxpk= 10, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1984,1985,
&end
#
# 132 LEU MDX 133 ASP HN 4.50 (# 303:10 Unique 3.36, 5.05 A)
&rst
ixpk= 303, nxpk= 10, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1989,1990,1991,1993,1994,1995,
&end
#
# 125 VAL MGY 133 ASP HN 4.50 (# 304:10 Unique 4.77, 5.68 A)
&rst
ixpk= 304, nxpk= 10, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1892,1893,1894,1896,1897,1898,
&end
#
# 0 AMB 10-2:305 68 ALA HN 3.50 (# 305:10 Single Ambig)
&rst
ixpk= 305, nxpk= 10, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 997,1029,
&end
#
# 68 ALA HA 68 ALA HN 3.50 (# 306:10 Unique 2.88, 2.94 A)
&rst
ixpk= 306, nxpk= 10, iat=1041,1039, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 ASP HB- 68 ALA HN 4.50 (# 307:10 Unique 2.56, 3.68 A)
&rst
ixpk= 307, nxpk= 10, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1031,1032,
&end
#
# 67 ASP HB+ 68 ALA HN 4.50 (# 308:10 Unique 2.56, 3.68 A)
&rst
ixpk= 308, nxpk= 10, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1031,1032,
&end
#
# 68 ALA MB 68 ALA HN 3.50 (# 309:10 Unique 2.39, 2.98 A)
&rst
ixpk= 309, nxpk= 10, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1043,1044,1045,
&end
#
# 70 ASP HA 71 GLU HN 3.50 (# 310:10 Unique 2.14, 3.01 A)
&rst
ixpk= 310, nxpk= 10, iat=1061,1071, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 ASP HB- 71 GLU HN 4.50 (# 311:10 Unique 2.18, 3.84 A)
&rst
ixpk= 311, nxpk= 10, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1063,1064,
&end
#
# 70 ASP HB+ 71 GLU HN 4.50 (# 312:10 Unique 2.18, 3.84 A)
&rst
ixpk= 312, nxpk= 10, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1063,1064,
&end
#
# 65 GLN HG- 71 GLU HN 4.50 (# 313:10 Unique 3.10, 4.68 A)
&rst
ixpk= 313, nxpk= 10, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1002,1003,
&end
#
# 0 AMB 10-2:315 71 GLU HN 3.50 (# 315:10 Single Ambig)
&rst
ixpk= 315, nxpk= 10, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1075,1076, 999,1000,
&end
#
# 87 PHE HD 88 LYS HN 4.50 (# 317:10 Unique 3.38, 5.03 A)
&rst
ixpk= 317, nxpk= 10, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1330,1338,
&end
#
# 88 LYS HA 88 LYS HN 3.50 (# 318:10 Unique 2.36, 2.80 A)
&rst
ixpk= 318, nxpk= 10, iat=1344,1342, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 PHE HA 88 LYS HN 3.50 (# 319:10 Unique 2.04, 2.18 A)
&rst
ixpk= 319, nxpk= 10, iat=1324,1342, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 PHE HB- 88 LYS HN 3.50 (# 320:10 Unique 2.60, 3.52 A)
&rst
ixpk= 320, nxpk= 10, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1326,1327,
&end
#
# 87 PHE HB+ 88 LYS HN 3.50 (# 321:10 Unique 2.60, 3.52 A)
&rst
ixpk= 321, nxpk= 10, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1326,1327,
&end
#
# 88 LYS HB- 88 LYS HN 3.50 (# 322:10 Unique 2.36, 3.11 A)
&rst
ixpk= 322, nxpk= 10, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1346,1347,
&end
#
# 0 AMB 10-2:323 88 LYS HN 3.50 (# 323:10 Single Ambig)
&rst
ixpk= 323, nxpk= 10, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1352,1353,1346,1347,
&end
#
# 88 LYS HG- 88 LYS HN 4.50 (# 324:10 Unique 1.93, 3.09 A)
&rst
ixpk= 324, nxpk= 10, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1349,1350,
&end
#
# 72 SER HN 73 GLN HN 4.50 (# 325:10 Unique 1.91, 2.84 A)
&rst
ixpk= 325, nxpk= 10, iat=1086,1097, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 SER HA 73 GLN HN 3.50 (# 326:10 Unique 2.68, 3.30 A)
&rst
ixpk= 326, nxpk= 10, iat=1088,1097, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 GLN HA 73 GLN HN 4.50 (# 327:10 Unique 2.80, 2.88 A)
&rst
ixpk= 327, nxpk= 10, iat=1099,1097, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 SER HB+ 73 GLN HN 5.50 (# 328:10 Unique 2.93, 4.22 A)
&rst
ixpk= 328, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1090,1091,
&end
#
# 0 AMB 10-2:329 73 GLN HN 4.50 (# 329:10 Single Ambig)
&rst
ixpk= 329, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1104,1105,1104,1105,
&end
#
# 73 GLN HB+ 73 GLN HN 4.50 (# 330:10 Unique 2.43, 3.33 A)
&rst
ixpk= 330, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1101,1102,
&end
#
# 73 GLN HB- 73 GLN HN 4.50 (# 331:10 Unique 2.43, 3.33 A)
&rst
ixpk= 331, nxpk= 10, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1101,1102,
&end
#
# 46 ALA HA 74 ASN HN 5.50 (# 332:10 Unique 2.86, 4.36 A)
&rst
ixpk= 332, nxpk= 10, iat= 674,1114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:333 74 ASN HN 6.50 (# 333:10 Single Ambig)
&rst
ixpk= 333, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1088,1073,
&end
#
# 73 GLN HA 74 ASN HN 2.80 (# 334:10 Unique 2.09, 2.21 A)
&rst
ixpk= 334, nxpk= 10, iat=1099,1114, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 73 GLN HG- 74 ASN HN 4.50 (# 335:10 Unique 3.44, 4.51 A)
&rst
ixpk= 335, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1104,1105,
&end
#
# 73 GLN HB+ 74 ASN HN 5.50 (# 336:10 Unique 2.36, 3.44 A)
&rst
ixpk= 336, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1101,1102,
&end
#
# 73 GLN HB- 74 ASN HN 4.50 (# 338:10 Unique 2.36, 3.44 A)
&rst
ixpk= 338, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1101,1102,
&end
#
# 0 AMB 10-2:339 74 ASN HN 3.50 (# 339:10 Single Ambig)
&rst
ixpk= 339, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1118,1119,1118,1119,
&end
#
# 46 ALA MB 74 ASN HN 3.50 (# 340:10 Unique 2.63, 4.50 A)
&rst
ixpk= 340, nxpk= 10, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 676, 677, 678,
&end
#
# 79 GLU HN 78 GLU HN 3.50 (# 341:10 Unique 1.78, 2.40 A)
&rst
ixpk= 341, nxpk= 10, iat=1191,1176, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 ASP HA 78 GLU HN 3.50 (# 342:10 Unique 2.20, 2.31 A)
&rst
ixpk= 342, nxpk= 10, iat=1166,1176, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 GLU HA 78 GLU HN 3.50 (# 343:10 Unique 2.81, 2.93 A)
&rst
ixpk= 343, nxpk= 10, iat=1178,1176, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 GLU HG- 78 GLU HN 3.50 (# 345:10 Unique 2.00, 2.84 A)
&rst
ixpk= 345, nxpk= 10, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1183,1184,
&end
#
# 78 GLU HG+ 78 GLU HN 3.50 (# 346:10 Unique 2.00, 2.84 A)
&rst
ixpk= 346, nxpk= 10, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1183,1184,
&end
#
# 0 AMB 10-2:347 78 GLU HN 3.50 (# 347:10 Single Ambig)
&rst
ixpk= 347, nxpk= 10, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1180,1181,1180,1181,
&end
#
# 12 ARG HG+ 78 GLU HN 5.50 (# 348:10 Unique 2.59, 5.64 A)
&rst
ixpk= 348, nxpk= 10, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 171, 172,
&end
#
# 0 AMB 10-2:350 78 GLU HN 6.50 (# 350:10 Single Ambig)
&rst
ixpk= 350, nxpk= 10, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 8.99, r4= 9.49,
igr1=1213, 116, 117, 118, 120, 121, 122,
&end
#
# 78 GLU HN 79 GLU HN 3.50 (# 351:10 Unique 1.78, 2.40 A)
&rst
ixpk= 351, nxpk= 10, iat=1176,1191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 LEU HN 79 GLU HN 3.50 (# 352:10 Unique 1.94, 2.50 A)
&rst
ixpk= 352, nxpk= 10, iat=1206,1191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 ASP HA 79 GLU HN 4.50 (# 353:10 Unique 3.76, 4.10 A)
&rst
ixpk= 353, nxpk= 10, iat=1166,1191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:354 79 GLU HN 3.50 (# 354:10 Single Ambig)
&rst
ixpk= 354, nxpk= 10, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1193,1178,
&end
#
# 77 ASP HB+ 79 GLU HN 4.50 (# 355:10 Unique 2.48, 3.76 A)
&rst
ixpk= 355, nxpk= 10, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1168,1169,
&end
#
# 0 AMB 10-2:356 79 GLU HN 3.50 (# 356:10 Single Ambig)
&rst
ixpk= 356, nxpk= 10, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1195,1196,1198,1199,
&end
#
# 0 AMB 10-2:357 79 GLU HN 4.50 (# 357:10 Single Ambig)
&rst
ixpk= 357, nxpk= 10, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1180,1181,1180,1181,
&end
#
# 0 AMB 10-2:358 79 GLU HN 4.50 (# 358:10 Single Ambig)
&rst
ixpk= 358, nxpk= 10, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1210,1211, 168, 169,
&end
#
# 115 ALA MB 79 GLU HN 5.50 (# 360:10 Unique 4.86, 5.60 A)
&rst
ixpk= 360, nxpk= 10, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1752,1753,1754,
&end
#
# 0 AMB 10-2:361 79 GLU HN 4.50 (# 361:10 Single Ambig)
&rst
ixpk= 361, nxpk= 10, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1213, 116, 117, 118, 120, 121, 122,
&end
#
# 80 LEU MDX 79 GLU HN 5.50 (# 362:10 Unique 2.60, 5.64 A)
&rst
ixpk= 362, nxpk= 10, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1215,1216,1217,1219,1220,1221,
&end
#
# 115 ALA HN 80 LEU HN 5.50 (# 363:10 Unique 4.10, 4.35 A)
&rst
ixpk= 363, nxpk= 10, iat=1748,1206, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 GLU HN 80 LEU HN 3.50 (# 364:10 Unique 1.94, 2.50 A)
&rst
ixpk= 364, nxpk= 10, iat=1191,1206, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 LEU HA 80 LEU HN 3.50 (# 365:10 Unique 2.98, 2.99 A)
&rst
ixpk= 365, nxpk= 10, iat=1208,1206, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 ASP HB+ 80 LEU HN 3.50 (# 367:10 Unique 2.64, 4.03 A)
&rst
ixpk= 367, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1168,1169,
&end
#
# 0 AMB 10-2:368 80 LEU HN 4.50 (# 368:10 Single Ambig)
&rst
ixpk= 368, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1195,1196,1198,1199,
&end
#
# 80 LEU HB- 80 LEU HN 3.50 (# 369:10 Unique 2.29, 3.15 A)
&rst
ixpk= 369, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1210,1211,
&end
#
# 79 GLU HB+ 80 LEU HN 4.50 (# 370:10 Unique 3.66, 4.36 A)
&rst
ixpk= 370, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1195,1196,
&end
#
# 80 LEU HB+ 80 LEU HN 3.50 (# 372:10 Unique 2.29, 3.15 A)
&rst
ixpk= 372, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1210,1211,
&end
#
# 80 LEU HG 80 LEU HN 5.50 (# 373:10 Unique 2.75, 3.48 A)
&rst
ixpk= 373, nxpk= 10, iat=1213,1206, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 LEU MDX 80 LEU HN 4.50 (# 374:10 Unique 3.07, 4.83 A)
&rst
ixpk= 374, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1215,1216,1217,1219,1220,1221,
&end
#
# 113 ALA HN 81 SER HN 3.50 (# 375:10 Unique 2.63, 2.89 A)
&rst
ixpk= 375, nxpk= 10, iat=1724,1225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 LEU HA 81 SER HN 2.80 (# 376:10 Unique 2.06, 2.15 A)
&rst
ixpk= 376, nxpk= 10, iat=1208,1225, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:377 81 SER HN 4.50 (# 377:10 Single Ambig)
&rst
ixpk= 377, nxpk= 10, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1709,1726,
&end
#
# 81 SER HA 81 SER HN 3.50 (# 378:10 Unique 2.97, 2.99 A)
&rst
ixpk= 378, nxpk= 10, iat=1227,1225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 114 ASN HA 81 SER HN 4.50 (# 379:10 Unique 4.10, 4.25 A)
&rst
ixpk= 379, nxpk= 10, iat=1736,1225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 115 ALA HA 81 SER HN 4.50 (# 380:10 Unique 3.90, 4.31 A)
&rst
ixpk= 380, nxpk= 10, iat=1750,1225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:381 81 SER HN 3.50 (# 381:10 Single Ambig)
&rst
ixpk= 381, nxpk= 10, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1229,1230,1229,1230,
&end
#
# 80 LEU HB- 81 SER HN 3.50 (# 382:10 Unique 2.37, 3.35 A)
&rst
ixpk= 382, nxpk= 10, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1210,1211,
&end
#
# 80 LEU HB+ 81 SER HN 3.50 (# 384:10 Unique 2.37, 3.35 A)
&rst
ixpk= 384, nxpk= 10, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1210,1211,
&end
#
# 113 ALA MB 81 SER HN 4.50 (# 385:10 Unique 3.34, 4.51 A)
&rst
ixpk= 385, nxpk= 10, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1728,1729,1730,
&end
#
# 80 LEU MDX 81 SER HN 3.50 (# 386:10 Unique 2.74, 4.79 A)
&rst
ixpk= 386, nxpk= 10, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1215,1216,1217,1219,1220,1221,
&end
#
# 82 ILE QD1 81 SER HN 4.50 (# 388:10 Unique 3.49, 4.37 A)
&rst
ixpk= 388, nxpk= 10, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1249,1250,1251,
&end
#
# 83 HIS HB+ 84 LEU HN 4.50 (# 393:10 Unique 2.68, 3.74 A)
&rst
ixpk= 393, nxpk= 10, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1259,1260,
&end
#
# 84 LEU HB- 84 LEU HN 3.50 (# 394:10 Unique 2.23, 2.92 A)
&rst
ixpk= 394, nxpk= 10, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1276,1277,
&end
#
# 84 LEU HG 84 LEU HN 4.50 (# 395:10 Unique 3.14, 4.32 A)
&rst
ixpk= 395, nxpk= 10, iat=1279,1272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 LEU HB+ 84 LEU HN 3.50 (# 396:10 Unique 2.23, 2.92 A)
&rst
ixpk= 396, nxpk= 10, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1276,1277,
&end
#
# 84 LEU MDY 84 LEU HN 4.50 (# 397:10 Unique 2.64, 5.13 A)
&rst
ixpk= 397, nxpk= 10, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1281,1282,1283,1285,1286,1287,
&end
#
# 84 LEU MDX 84 LEU HN 4.50 (# 398:10 Unique 2.64, 5.13 A)
&rst
ixpk= 398, nxpk= 10, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1281,1282,1283,1285,1286,1287,
&end
#
# 82 ILE QG2 84 LEU HN 4.50 (# 399:10 Unique 3.33, 5.02 A)
&rst
ixpk= 399, nxpk= 10, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1242,1243,1244,
&end
#
# 47 TRP HA 48 ARG HN 3.50 (# 400:10 Unique 2.22, 2.34 A)
&rst
ixpk= 400, nxpk= 10, iat= 684, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 TRP HB+ 48 ARG HN 3.50 (# 402:10 Unique 2.52, 3.39 A)
&rst
ixpk= 402, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 686, 687,
&end
#
# 0 AMB 10-2:403 48 ARG HN 5.50 (# 403:10 Single Ambig)
&rst
ixpk= 403, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1101,1102, 969, 970,
&end
#
# 0 AMB 10-2:405 48 ARG HN 6.50 (# 405:10 Single Ambig)
&rst
ixpk= 405, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1451,1452, 983, 406, 407, 408,
&end
#
# 40 ILE QG2 48 ARG HN 4.50 (# 406:10 Unique 2.88, 3.78 A)
&rst
ixpk= 406, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 588, 589, 590,
&end
#
# 90 ASP HB+ 90 ASP HN 5.50 (# 407:10 Unique 2.57, 3.13 A)
&rst
ixpk= 407, nxpk= 10, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1382,1383,
&end
#
# 0 AMB 10-2:408 90 ASP HN 4.50 (# 408:10 Single Ambig)
&rst
ixpk= 408, nxpk= 10, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1371,1372,1352,1353,
&end
#
# 89 PRO HB- 90 ASP HN 4.50 (# 409:10 Unique 3.47, 4.29 A)
&rst
ixpk= 409, nxpk= 10, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1371,1372,
&end
#
# 92 SER HN 91 ASP HN 4.50 (# 410:10 Unique 3.56, 4.02 A)
&rst
ixpk= 410, nxpk= 10, iat=1402,1390, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 ASP HA 91 ASP HN 3.50 (# 411:10 Unique 2.87, 2.91 A)
&rst
ixpk= 411, nxpk= 10, iat=1392,1390, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 ASP HB- 91 ASP HN 4.50 (# 413:10 Unique 2.46, 3.89 A)
&rst
ixpk= 413, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1382,1383,
&end
#
# 90 ASP HB+ 91 ASP HN 4.50 (# 414:10 Unique 2.46, 3.89 A)
&rst
ixpk= 414, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1382,1383,
&end
#
# 91 ASP HB+ 91 ASP HN 3.50 (# 415:10 Unique 2.31, 2.61 A)
&rst
ixpk= 415, nxpk= 10, iat= -1,1390, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1394,1395,
&end
#
# 91 ASP HN 92 SER HN 4.50 (# 416:10 Unique 3.56, 4.02 A)
&rst
ixpk= 416, nxpk= 10, iat=1390,1402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 ASP HA 92 SER HN 3.50 (# 417:10 Unique 2.12, 2.23 A)
&rst
ixpk= 417, nxpk= 10, iat=1392,1402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 SER HA 92 SER HN 3.50 (# 418:10 Unique 2.86, 2.94 A)
&rst
ixpk= 418, nxpk= 10, iat=1404,1402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:419 0 AMB 10-1:419 2.80 (# 419:10 Double Ambig)
&rst
ixpk= 419, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1811,1406,1407,
igr2=1815,1402,
&end
#
# 92 SER HB- 92 SER HN 3.50 (# 420:10 Unique 2.42, 2.76 A)
&rst
ixpk= 420, nxpk= 10, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1406,1407,
&end
#
# 90 ASP HB- 92 SER HN 4.50 (# 421:10 Unique 3.69, 5.20 A)
&rst
ixpk= 421, nxpk= 10, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1382,1383,
&end
#
# 90 ASP HB+ 92 SER HN 4.50 (# 422:10 Unique 3.69, 5.20 A)
&rst
ixpk= 422, nxpk= 10, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1382,1383,
&end
#
# 97 VAL HN 96 GLN HN 3.50 (# 423:10 Unique 2.15, 2.32 A)
&rst
ixpk= 423, nxpk= 10, iat=1475,1458, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 HIS HD2 96 GLN HN 4.50 (# 424:10 Unique 4.22, 4.50 A)
&rst
ixpk= 424, nxpk= 10, iat= 614,1458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 HIS HA 96 GLN HN 4.50 (# 425:10 Unique 1.88, 2.23 A)
&rst
ixpk= 425, nxpk= 10, iat= 603,1458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 PRO HA 96 GLN HN 3.50 (# 426:10 Unique 2.15, 2.28 A)
&rst
ixpk= 426, nxpk= 10, iat=1454,1458, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 GLN HA 96 GLN HN 3.50 (# 427:10 Unique 2.94, 2.98 A)
&rst
ixpk= 427, nxpk= 10, iat=1460,1458, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:428 96 GLN HN 4.50 (# 428:10 Single Ambig)
&rst
ixpk= 428, nxpk= 10, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1465,1466,1465,1466,
&end
#
# 95 PRO HD- 96 GLN HN 5.50 (# 429:10 Unique 5.47, 5.61 A)
&rst
ixpk= 429, nxpk= 10, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1445,1446,
&end
#
# 95 PRO HB+ 96 GLN HN 4.50 (# 430:10 Unique 2.85, 3.45 A)
&rst
ixpk= 430, nxpk= 10, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1451,1452,
&end
#
# 95 PRO HB- 96 GLN HN 4.50 (# 431:10 Unique 2.85, 3.45 A)
&rst
ixpk= 431, nxpk= 10, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1451,1452,
&end
#
# 96 GLN HB- 96 GLN HN 4.50 (# 432:10 Unique 2.22, 3.01 A)
&rst
ixpk= 432, nxpk= 10, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1462,1463,
&end
#
# 96 GLN HB+ 96 GLN HN 4.50 (# 433:10 Unique 2.22, 3.01 A)
&rst
ixpk= 433, nxpk= 10, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1462,1463,
&end
#
# 96 GLN HN 97 VAL HN 3.50 (# 434:10 Unique 2.15, 2.32 A)
&rst
ixpk= 434, nxpk= 10, iat=1458,1475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 ILE HN 97 VAL HN 3.50 (# 435:10 Unique 2.93, 3.13 A)
&rst
ixpk= 435, nxpk= 10, iat= 582,1475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 VAL HA 97 VAL HN 3.50 (# 436:10 Unique 2.96, 2.99 A)
&rst
ixpk= 436, nxpk= 10, iat=1477,1475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 95 PRO HA 97 VAL HN 4.50 (# 437:10 Unique 3.79, 4.09 A)
&rst
ixpk= 437, nxpk= 10, iat=1454,1475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 GLN HA 97 VAL HN 4.50 (# 438:10 Unique 3.45, 3.56 A)
&rst
ixpk= 438, nxpk= 10, iat=1460,1475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 VAL HB 97 VAL HN 3.50 (# 439:10 Unique 2.25, 2.41 A)
&rst
ixpk= 439, nxpk= 10, iat=1479,1475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 95 PRO HB+ 97 VAL HN 3.50 (# 440:10 Unique 2.45, 3.83 A)
&rst
ixpk= 440, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1451,1452,
&end
#
# 97 VAL MGX 97 VAL HN 3.50 (# 441:10 Unique 2.46, 4.04 A)
&rst
ixpk= 441, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 96 GLN HB- 97 VAL HN 3.50 (# 442:10 Unique 2.47, 3.16 A)
&rst
ixpk= 442, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1462,1463,
&end
#
# 0 AMB 10-2:443 97 VAL HN 3.50 (# 443:10 Single Ambig)
&rst
ixpk= 443, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1481,1482,1483,1485,1486,1487,1462,1463,
&end
#
# 40 ILE QG2 97 VAL HN 5.50 (# 444:10 Unique 4.75, 5.63 A)
&rst
ixpk= 444, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 588, 589, 590,
&end
#
# 102 ASP HN 101 ALA HN 3.50 (# 445:10 Unique 2.68, 2.79 A)
&rst
ixpk= 445, nxpk= 10, iat=1555,1545, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 LEU HA 101 ALA HN 2.80 (# 446:10 Unique 2.26, 2.34 A)
&rst
ixpk= 446, nxpk= 10, iat=1528,1545, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 101 ALA HA 101 ALA HN 3.50 (# 447:10 Unique 2.81, 2.86 A)
&rst
ixpk= 447, nxpk= 10, iat=1547,1545, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 LEU HB- 101 ALA HN 3.50 (# 448:10 Unique 2.28, 3.01 A)
&rst
ixpk= 448, nxpk= 10, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1530,1531,
&end
#
# 100 LEU HB+ 101 ALA HN 3.50 (# 449:10 Unique 2.28, 3.01 A)
&rst
ixpk= 449, nxpk= 10, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1530,1531,
&end
#
# 101 ALA MB 101 ALA HN 2.80 (# 450:10 Unique 2.40, 2.84 A)
&rst
ixpk= 450, nxpk= 10, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1549,1550,1551,
&end
#
# 100 LEU MDX 101 ALA HN 3.50 (# 451:10 Unique 3.67, 5.04 A)
&rst
ixpk= 451, nxpk= 10, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1535,1536,1537,1539,1540,1541,
&end
#
# 103 GLY HN 102 ASP HN 2.80 (# 452:10 Unique 2.58, 2.67 A)
&rst
ixpk= 452, nxpk= 10, iat=1567,1555, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 102 ASP HA 102 ASP HN 3.50 (# 453:10 Unique 2.92, 2.95 A)
&rst
ixpk= 453, nxpk= 10, iat=1557,1555, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 ALA HA 102 ASP HN 3.50 (# 455:10 Unique 3.44, 3.49 A)
&rst
ixpk= 455, nxpk= 10, iat=1547,1555, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 102 ASP HB- 102 ASP HN 4.50 (# 457:10 Unique 2.25, 2.84 A)
&rst
ixpk= 457, nxpk= 10, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1559,1560,
&end
#
# 102 ASP HB+ 102 ASP HN 3.50 (# 458:10 Unique 2.25, 2.84 A)
&rst
ixpk= 458, nxpk= 10, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1559,1560,
&end
#
# 100 LEU HB- 102 ASP HN 3.50 (# 459:10 Unique 2.67, 3.06 A)
&rst
ixpk= 459, nxpk= 10, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1530,1531,
&end
#
# 100 LEU HB+ 102 ASP HN 3.50 (# 460:10 Unique 2.67, 3.06 A)
&rst
ixpk= 460, nxpk= 10, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1530,1531,
&end
#
# 101 ALA MB 102 ASP HN 4.50 (# 461:10 Unique 2.95, 3.77 A)
&rst
ixpk= 461, nxpk= 10, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1549,1550,1551,
&end
#
# 99 ILE QG2 102 ASP HN 5.50 (# 463:10 Unique 5.56, 6.50 A)
&rst
ixpk= 463, nxpk= 10, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1513,1514,1515,
&end
#
# 104 GLN HN 103 GLY HN 3.50 (# 464:10 Unique 2.42, 2.63 A)
&rst
ixpk= 464, nxpk= 10, iat=1574,1567, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 102 ASP HN 103 GLY HN 3.50 (# 465:10 Unique 2.58, 2.67 A)
&rst
ixpk= 465, nxpk= 10, iat=1555,1567, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 102 ASP HA 103 GLY HN 3.50 (# 466:10 Unique 3.05, 3.21 A)
&rst
ixpk= 466, nxpk= 10, iat=1557,1567, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 ALA HA 103 GLY HN 4.50 (# 468:10 Unique 3.55, 3.84 A)
&rst
ixpk= 468, nxpk= 10, iat=1547,1567, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 102 ASP HB- 103 GLY HN 5.50 (# 470:10 Unique 3.48, 4.28 A)
&rst
ixpk= 470, nxpk= 10, iat= -1,1567, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1559,1560,
&end
#
# 0 AMB 10-2:471 103 GLY HN 4.50 (# 471:10 Single Ambig)
&rst
ixpk= 471, nxpk= 10, iat= -1,1567, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1559,1560,1581,1582,
&end
#
# 100 LEU HB- 103 GLY HN 4.50 (# 472:10 Unique 3.43, 4.17 A)
&rst
ixpk= 472, nxpk= 10, iat= -1,1567, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1530,1531,
&end
#
# 100 LEU HB+ 103 GLY HN 5.50 (# 473:10 Unique 3.43, 4.17 A)
&rst
ixpk= 473, nxpk= 10, iat= -1,1567, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1530,1531,
&end
#
# 0 AMB 10-2:474 103 GLY HN 4.50 (# 474:10 Single Ambig)
&rst
ixpk= 474, nxpk= 10, iat= -1,1567, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1549,1550,1551, 483, 484, 485,
&end
#
# 0 AMB 10-2:475 103 GLY HN 4.50 (# 475:10 Single Ambig)
&rst
ixpk= 475, nxpk= 10, iat= -1,1567, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1604,1605,1606,1533,
&end
#
# 99 ILE QG2 103 GLY HN 5.50 (# 476:10 Unique 4.07, 4.85 A)
&rst
ixpk= 476, nxpk= 10, iat= -1,1567, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1513,1514,1515,
&end
#
# 105 ILE HN 104 GLN HN 4.50 (# 477:10 Unique 4.52, 4.55 A)
&rst
ixpk= 477, nxpk= 10, iat=1591,1574, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 GLY HN 104 GLN HN 3.50 (# 478:10 Unique 2.42, 2.63 A)
&rst
ixpk= 478, nxpk= 10, iat=1567,1574, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:481 0 AMB 10-1:481 3.50 (# 481:10 Double Ambig)
&rst
ixpk= 481, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1576, 855,
igr2=1574, 874,
&end
#
# 104 GLN HG+ 104 GLN HN 3.50 (# 483:10 Unique 2.01, 3.12 A)
&rst
ixpk= 483, nxpk= 10, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1581,1582,
&end
#
# 104 GLN HB- 104 GLN HN 3.50 (# 484:10 Unique 2.38, 3.08 A)
&rst
ixpk= 484, nxpk= 10, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1578,1579,
&end
#
# 0 AMB 10-2:485 59 TRP HN 4.50 (# 485:10 Single Ambig)
&rst
ixpk= 485, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 902, 903, 902, 903, 532, 533,
&end
#
# 100 LEU HB+ 104 GLN HN 3.50 (# 486:10 Unique 2.35, 3.31 A)
&rst
ixpk= 486, nxpk= 10, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1530,1531,
&end
#
# 0 AMB 10-2:487 104 GLN HN 3.50 (# 487:10 Single Ambig)
&rst
ixpk= 487, nxpk= 10, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1533,1604,1605,1606,
&end
#
# 0 AMB 10-2:488 59 TRP HN 5.50 (# 488:10 Single Ambig)
&rst
ixpk= 488, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 831, 832, 833, 835,
&end
#
# 58 ALA MB 59 TRP HN 3.50 (# 489:10 Unique 2.09, 3.48 A)
&rst
ixpk= 489, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 868, 869, 870,
&end
#
# 0 AMB 10-2:490 0 AMB 10-1:490 4.50 (# 490:10 Double Ambig)
&rst
ixpk= 490, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 878, 879,1559,1560,
igr2= 874,1574,
&end
#
# 98 VAL HN 106 THR HN 4.50 (# 492:10 Unique 2.89, 3.06 A)
&rst
ixpk= 492, nxpk= 10, iat=1491,1610, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 THR HA 106 THR HN 3.50 (# 493:10 Unique 2.77, 2.83 A)
&rst
ixpk= 493, nxpk= 10, iat=1612,1610, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 106 THR HB 106 THR HN 3.50 (# 494:10 Unique 2.31, 3.37 A)
&rst
ixpk= 494, nxpk= 10, iat=1614,1610, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 106 THR MG2 106 THR HN 3.50 (# 496:10 Unique 2.36, 3.41 A)
&rst
ixpk= 496, nxpk= 10, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1616,1617,1618,
&end
#
# 105 ILE HB 106 THR HN 4.50 (# 497:10 Unique 3.55, 3.81 A)
&rst
ixpk= 497, nxpk= 10, iat=1595,1610, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:498 106 THR HN 4.50 (# 498:10 Single Ambig)
&rst
ixpk= 498, nxpk= 10, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1481,1482,1483,1485,1486,1487,1604,1605,1606,1533,
&end
#
# 97 VAL MGY 106 THR HN 5.50 (# 500:10 Unique 3.57, 5.66 A)
&rst
ixpk= 500, nxpk= 10, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 108 PHE HD 108 PHE HN 4.50 (# 501:10 Unique 2.55, 3.92 A)
&rst
ixpk= 501, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1646,1654,
&end
#
# 108 PHE HA 108 PHE HN 4.50 (# 502:10 Unique 2.86, 2.90 A)
&rst
ixpk= 502, nxpk= 10, iat=1640,1638, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:503 108 PHE HN 4.50 (# 503:10 Single Ambig)
&rst
ixpk= 503, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1904,1660,
&end
#
# 107 PRO HA 108 PHE HN 2.80 (# 504:10 Unique 2.14, 2.19 A)
&rst
ixpk= 504, nxpk= 10, iat=1634,1638, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 108 PHE HB- 108 PHE HN 4.50 (# 505:10 Unique 3.20, 3.72 A)
&rst
ixpk= 505, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1642,1643,
&end
#
# 126 CYS HB- 108 PHE HN 4.50 (# 506:10 Unique 1.62, 2.58 A)
&rst
ixpk= 506, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1906,1907,
&end
#
# 107 PRO HG+ 108 PHE HN 5.50 (# 507:10 Unique 4.71, 5.43 A)
&rst
ixpk= 507, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1628,1629,
&end
#
# 107 PRO HB+ 108 PHE HN 4.50 (# 508:10 Unique 3.30, 3.85 A)
&rst
ixpk= 508, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1631,1632,
&end
#
# 107 PRO HB- 108 PHE HN 4.50 (# 509:10 Unique 3.30, 3.85 A)
&rst
ixpk= 509, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1631,1632,
&end
#
# 0 AMB 10-2:511 108 PHE HN 5.50 (# 511:10 Single Ambig)
&rst
ixpk= 511, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1628,1629,2128,2129,
&end
#
# 105 ILE QG2 108 PHE HN 6.50 (# 512:10 Unique 4.96, 6.52 A)
&rst
ixpk= 512, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1=1597,1598,1599,
&end
#
# 125 VAL MGX 108 PHE HN 5.50 (# 513:10 Unique 4.48, 6.47 A)
&rst
ixpk= 513, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1892,1893,1894,1896,1897,1898,
&end
#
# 85 GLN HN 109 SER HN 4.50 (# 514:10 Unique 2.80, 2.98 A)
&rst
ixpk= 514, nxpk= 10, iat=1291,1658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 PHE HD 109 SER HN 3.50 (# 515:10 Unique 2.71, 4.29 A)
&rst
ixpk= 515, nxpk= 10, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1646,1654,
&end
#
# 108 PHE HA 109 SER HN 3.50 (# 517:10 Unique 2.29, 2.39 A)
&rst
ixpk= 517, nxpk= 10, iat=1640,1658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 SER HA 109 SER HN 3.50 (# 518:10 Unique 2.95, 2.97 A)
&rst
ixpk= 518, nxpk= 10, iat=1660,1658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:519 109 SER HN 3.50 (# 519:10 Single Ambig)
&rst
ixpk= 519, nxpk= 10, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1662,1663,1662,1663,
&end
#
# 108 PHE HB- 109 SER HN 3.50 (# 520:10 Unique 2.35, 3.12 A)
&rst
ixpk= 520, nxpk= 10, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1642,1643,
&end
#
# 108 PHE HB+ 109 SER HN 3.50 (# 521:10 Unique 2.35, 3.12 A)
&rst
ixpk= 521, nxpk= 10, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1642,1643,
&end
#
# 0 AMB 10-2:522 109 SER HN 6.50 (# 522:10 Single Ambig)
&rst
ixpk= 522, nxpk= 10, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1298,1299,1298,1299,
&end
#
# 85 GLN HB- 109 SER HN 6.50 (# 523:10 Unique 3.02, 4.28 A)
&rst
ixpk= 523, nxpk= 10, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1295,1296,
&end
#
# 85 GLN HB+ 109 SER HN 6.50 (# 524:10 Unique 3.02, 4.28 A)
&rst
ixpk= 524, nxpk= 10, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1295,1296,
&end
#
# 125 VAL MGY 109 SER HN 6.50 (# 525:10 Unique 4.79, 6.51 A)
&rst
ixpk= 525, nxpk= 10, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1892,1893,1894,1896,1897,1898,
&end
#
# 0 AMB 10-2:526 109 SER HN 6.50 (# 526:10 Single Ambig)
&rst
ixpk= 526, nxpk= 10, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
igr1=1481,1482,1483,1485,1486,1487,1462,1463,
&end
#
# 110 LEU MDY 109 SER HN 6.50 (# 527:10 Unique 7.09, 8.05 A)
&rst
ixpk= 527, nxpk= 10, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1678,1679,1680,1682,1683,1684,
&end
#
# 84 LEU MDX 109 SER HN 5.50 (# 528:10 Unique 3.09, 5.36 A)
&rst
ixpk= 528, nxpk= 10, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1281,1282,1283,1285,1286,1287,
&end
#
# 111 LEU HA 111 LEU HN 3.50 (# 529:10 Unique 2.94, 2.97 A)
&rst
ixpk= 529, nxpk= 10, iat=1690,1688, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 LEU HA 111 LEU HN 4.50 (# 531:10 Unique 3.12, 3.45 A)
&rst
ixpk= 531, nxpk= 10, iat=1274,1688, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 HIS HB- 111 LEU HN 4.50 (# 532:10 Unique 3.21, 4.16 A)
&rst
ixpk= 532, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1259,1260,
&end
#
# 83 HIS HB+ 111 LEU HN 4.50 (# 533:10 Unique 3.21, 4.16 A)
&rst
ixpk= 533, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1259,1260,
&end
#
# 111 LEU HB- 111 LEU HN 3.50 (# 534:10 Unique 2.28, 2.69 A)
&rst
ixpk= 534, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1692,1693,
&end
#
# 111 LEU HB+ 111 LEU HN 3.50 (# 535:10 Unique 2.28, 2.69 A)
&rst
ixpk= 535, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1692,1693,
&end
#
# 0 AMB 10-2:536 111 LEU HN 4.50 (# 536:10 Single Ambig)
&rst
ixpk= 536, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1673,1674,1695,
&end
#
# 110 LEU HG 111 LEU HN 4.50 (# 537:10 Unique 3.57, 4.18 A)
&rst
ixpk= 537, nxpk= 10, iat=1676,1688, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 THR MG2 111 LEU HN 5.50 (# 538:10 Unique 3.87, 5.43 A)
&rst
ixpk= 538, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1859,1860,1861,
&end
#
# 111 LEU MDX 111 LEU HN 4.50 (# 539:10 Unique 4.42, 5.30 A)
&rst
ixpk= 539, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1697,1698,1699,1701,1702,1703,
&end
#
# 111 LEU MDY 111 LEU HN 4.50 (# 540:10 Unique 4.42, 5.30 A)
&rst
ixpk= 540, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1697,1698,1699,1701,1702,1703,
&end
#
# 0 AMB 10-2:541 111 LEU HN 4.50 (# 541:10 Single Ambig)
&rst
ixpk= 541, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1678,1679,1680,1682,1683,1684,1678,1679,1680,1682,
1683,1684,
&end
#
# 0 AMB 10-2:542 111 LEU HN 4.50 (# 542:10 Single Ambig)
&rst
ixpk= 542, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1281,1282,1283,1285,1286,1287,1246,1247,
&end
#
# 82 ILE QG2 111 LEU HN 4.50 (# 543:10 Unique 3.68, 5.25 A)
&rst
ixpk= 543, nxpk= 10, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1242,1243,1244,
&end
#
# 122 LEU HN 112 MET HN 4.50 (# 544:10 Unique 2.94, 3.28 A)
&rst
ixpk= 544, nxpk= 10, iat=1834,1707, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 THR HA 112 MET HN 3.50 (# 545:10 Unique 2.92, 3.27 A)
&rst
ixpk= 545, nxpk= 10, iat=1855,1707, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:546 112 MET HN 2.80 (# 546:10 Single Ambig)
&rst
ixpk= 546, nxpk= 10, iat= -1,1707, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1690,1709,
&end
#
# 112 MET HG+ 112 MET HN 3.50 (# 547:10 Unique 2.74, 3.40 A)
&rst
ixpk= 547, nxpk= 10, iat= -1,1707, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1714,1715,
&end
#
# 120 PRO HB- 112 MET HN 4.50 (# 548:10 Unique 4.29, 5.27 A)
&rst
ixpk= 548, nxpk= 10, iat= -1,1707, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1808,1809,
&end
#
# 0 AMB 10-2:549 112 MET HN 3.50 (# 549:10 Single Ambig)
&rst
ixpk= 549, nxpk= 10, iat= -1,1707, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1692,1693,1808,1809,2075,2076,2075,2076,
&end
#
# 0 AMB 10-2:550 112 MET HN 4.50 (# 550:10 Single Ambig)
&rst
ixpk= 550, nxpk= 10, iat= -1,1707, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1838,1839,1841,
&end
#
# 111 LEU HG 112 MET HN 3.50 (# 551:10 Unique 2.12, 2.57 A)
&rst
ixpk= 551, nxpk= 10, iat=1695,1707, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 123 THR MG2 112 MET HN 4.50 (# 552:10 Unique 4.36, 5.60 A)
&rst
ixpk= 552, nxpk= 10, iat= -1,1707, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1859,1860,1861,
&end
#
# 111 LEU MDX 112 MET HN 3.50 (# 553:10 Unique 1.84, 4.28 A)
&rst
ixpk= 553, nxpk= 10, iat= -1,1707, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1697,1698,1699,1701,1702,1703,
&end
#
# 0 AMB 10-2:555 112 MET HN 4.50 (# 555:10 Single Ambig)
&rst
ixpk= 555, nxpk= 10, iat= -1,1707, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1678,1679,1680,1682,1683,1684,1678,1679,1680,1682,
1683,1684,
&end
#
# 81 SER HN 113 ALA HN 3.50 (# 557:10 Unique 2.63, 2.89 A)
&rst
ixpk= 557, nxpk= 10, iat=1225,1724, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 LEU HA 113 ALA HN 5.50 (# 559:10 Unique 4.28, 4.50 A)
&rst
ixpk= 559, nxpk= 10, iat=1208,1724, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 MET HA 113 ALA HN 2.80 (# 560:10 Unique 2.13, 2.17 A)
&rst
ixpk= 560, nxpk= 10, iat=1709,1724, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 82 ILE HA 113 ALA HN 4.50 (# 561:10 Unique 3.29, 3.65 A)
&rst
ixpk= 561, nxpk= 10, iat=1238,1724, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:562 113 ALA HN 4.50 (# 562:10 Single Ambig)
&rst
ixpk= 562, nxpk= 10, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1229,1230,1229,1230,
&end
#
# 120 PRO HB- 113 ALA HN 6.50 (# 563:10 Unique 5.71, 6.65 A)
&rst
ixpk= 563, nxpk= 10, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1808,1809,
&end
#
# 0 AMB 10-2:564 113 ALA HN 4.50 (# 564:10 Single Ambig)
&rst
ixpk= 564, nxpk= 10, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1711,1712,1711,1712,
&end
#
# 113 ALA MB 113 ALA HN 3.50 (# 565:10 Unique 2.46, 3.10 A)
&rst
ixpk= 565, nxpk= 10, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1728,1729,1730,
&end
#
# 0 AMB 10-2:566 113 ALA HN 4.50 (# 566:10 Single Ambig)
&rst
ixpk= 566, nxpk= 10, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1697,1698,1699,1701,1702,1703,1215,1216,1217,1219,
1220,1221,1824,1825,1826,1828,1829,1830,
&end
#
# 82 ILE QD1 113 ALA HN 4.50 (# 567:10 Unique 3.29, 4.65 A)
&rst
ixpk= 567, nxpk= 10, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1249,1250,1251,
&end
#
# 119 GLU HN 114 ASN HN 4.50 (# 568:10 Unique 3.11, 3.45 A)
&rst
ixpk= 568, nxpk= 10, iat=1786,1734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 113 ALA HA 114 ASN HN 2.80 (# 569:10 Unique 2.23, 2.26 A)
&rst
ixpk= 569, nxpk= 10, iat=1726,1734, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 114 ASN HA 114 ASN HN 3.50 (# 570:10 Unique 2.86, 2.91 A)
&rst
ixpk= 570, nxpk= 10, iat=1736,1734, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 PRO HA 114 ASN HN 4.50 (# 571:10 Unique 3.56, 3.89 A)
&rst
ixpk= 571, nxpk= 10, iat=1811,1734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 114 ASN HB- 114 ASN HN 3.50 (# 572:10 Unique 2.14, 2.46 A)
&rst
ixpk= 572, nxpk= 10, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1738,1739,
&end
#
# 114 ASN HB+ 114 ASN HN 3.50 (# 573:10 Unique 2.14, 2.46 A)
&rst
ixpk= 573, nxpk= 10, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1738,1739,
&end
#
# 0 AMB 10-2:574 114 ASN HN 5.50 (# 574:10 Single Ambig)
&rst
ixpk= 574, nxpk= 10, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1793,1794,1793,1794,
&end
#
# 119 GLU HB- 114 ASN HN 5.50 (# 575:10 Unique 3.68, 4.65 A)
&rst
ixpk= 575, nxpk= 10, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1790,1791,
&end
#
# 121 LEU HB- 114 ASN HN 5.50 (# 577:10 Unique 2.52, 4.80 A)
&rst
ixpk= 577, nxpk= 10, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1819,1820,
&end
#
# 113 ALA MB 114 ASN HN 3.50 (# 578:10 Unique 2.74, 3.66 A)
&rst
ixpk= 578, nxpk= 10, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1728,1729,1730,
&end
#
# 121 LEU MDY 114 ASN HN 3.50 (# 579:10 Unique 2.39, 4.21 A)
&rst
ixpk= 579, nxpk= 10, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1824,1825,1826,1828,1829,1830,
&end
#
# 121 LEU HG 114 ASN HN 4.50 (# 580:10 Unique 3.93, 4.45 A)
&rst
ixpk= 580, nxpk= 10, iat=1822,1734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 LEU HA 115 ALA HN 4.50 (# 581:10 Unique 2.37, 2.86 A)
&rst
ixpk= 581, nxpk= 10, iat=1208,1748, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 114 ASN HA 115 ALA HN 2.80 (# 582:10 Unique 2.16, 2.21 A)
&rst
ixpk= 582, nxpk= 10, iat=1736,1748, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 79 GLU HA 115 ALA HN 4.50 (# 583:10 Unique 3.25, 3.71 A)
&rst
ixpk= 583, nxpk= 10, iat=1193,1748, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 115 ALA HA 115 ALA HN 3.50 (# 584:10 Unique 2.81, 2.85 A)
&rst
ixpk= 584, nxpk= 10, iat=1750,1748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:585 115 ALA HN 5.50 (# 585:10 Single Ambig)
&rst
ixpk= 585, nxpk= 10, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1229,1230,1229,1230,
&end
#
# 114 ASN HB- 115 ALA HN 4.50 (# 586:10 Unique 4.19, 4.37 A)
&rst
ixpk= 586, nxpk= 10, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1738,1739,
&end
#
# 114 ASN HB+ 115 ALA HN 4.50 (# 587:10 Unique 4.19, 4.37 A)
&rst
ixpk= 587, nxpk= 10, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1738,1739,
&end
#
# 115 ALA MB 115 ALA HN 2.80 (# 588:10 Unique 2.40, 2.86 A)
&rst
ixpk= 588, nxpk= 10, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1752,1753,1754,
&end
#
# 0 AMB 10-2:589 115 ALA HN 4.50 (# 589:10 Single Ambig)
&rst
ixpk= 589, nxpk= 10, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1215,1216,1217,1219,1220,1221,1824,1825,1826,1828,
1829,1830,
&end
#
# 121 LEU HG 115 ALA HN 6.50 (# 590:10 Unique 6.11, 6.51 A)
&rst
ixpk= 590, nxpk= 10, iat=1822,1748, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 115 ALA HN 116 GLY HN 3.50 (# 591:10 Unique 2.73, 2.84 A)
&rst
ixpk= 591, nxpk= 10, iat=1748,1758, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 117 THR HN 116 GLY HN 3.50 (# 592:10 Unique 2.36, 2.53 A)
&rst
ixpk= 592, nxpk= 10, iat=1765,1758, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:593 116 GLY HN 4.50 (# 593:10 Single Ambig)
&rst
ixpk= 593, nxpk= 10, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1736,1769,
&end
#
# 0 AMB 10-2:594 116 GLY HN 5.50 (# 594:10 Single Ambig)
&rst
ixpk= 594, nxpk= 10, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 33,1767,
&end
#
# 116 GLY HA+ 116 GLY HN 3.50 (# 595:10 Unique 2.28, 7.32 A)
&rst
ixpk= 595, nxpk= 10, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1760,1761,
&end
#
# 115 ALA MB 116 GLY HN 3.50 (# 596:10 Unique 3.06, 3.88 A)
&rst
ixpk= 596, nxpk= 10, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1752,1753,1754,
&end
#
# 0 AMB 10-2:597 117 THR HN 2.80 (# 597:10 Single Ambig)
&rst
ixpk= 597, nxpk= 10, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1779,1758,
&end
#
# 114 ASN HD2- 117 THR HN 5.50 (# 598:10 Unique 3.04, 3.98 A)
&rst
ixpk= 598, nxpk= 10, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1743,1744,
&end
#
# 119 GLU HN 117 THR HN 4.50 (# 599:10 Unique 3.68, 3.87 A)
&rst
ixpk= 599, nxpk= 10, iat=1786,1765, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 THR HA 117 THR HN 3.50 (# 600:10 Unique 2.90, 2.94 A)
&rst
ixpk= 600, nxpk= 10, iat=1767,1765, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 117 THR HB 117 THR HN 3.50 (# 601:10 Unique 2.73, 3.43 A)
&rst
ixpk= 601, nxpk= 10, iat=1769,1765, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 118 GLY HA+ 117 THR HN 4.50 (# 604:10 Unique 4.89, 7.78 A)
&rst
ixpk= 604, nxpk= 10, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1781,1782,
&end
#
# 114 ASN HB- 117 THR HN 4.50 (# 605:10 Unique 3.10, 4.02 A)
&rst
ixpk= 605, nxpk= 10, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1738,1739,
&end
#
# 114 ASN HB+ 117 THR HN 4.50 (# 606:10 Unique 3.10, 4.02 A)
&rst
ixpk= 606, nxpk= 10, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1738,1739,
&end
#
# 117 THR MG2 117 THR HN 4.50 (# 607:10 Unique 2.33, 3.58 A)
&rst
ixpk= 607, nxpk= 10, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1771,1772,1773,
&end
#
# 0 AMB 10-2:608 122 LEU HN 5.50 (# 608:10 Single Ambig)
&rst
ixpk= 608, nxpk= 10, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1709,1690,
&end
#
# 122 LEU HA 122 LEU HN 3.50 (# 609:10 Unique 2.94, 2.98 A)
&rst
ixpk= 609, nxpk= 10, iat=1836,1834, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 121 LEU HA 122 LEU HN 3.50 (# 610:10 Unique 3.52, 3.55 A)
&rst
ixpk= 610, nxpk= 10, iat=1817,1834, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:611 122 LEU HN 4.50 (# 611:10 Single Ambig)
&rst
ixpk= 611, nxpk= 10, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1811,2063,
&end
#
# 120 PRO HB- 122 LEU HN 4.50 (# 612:10 Unique 3.64, 4.65 A)
&rst
ixpk= 612, nxpk= 10, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1808,1809,
&end
#
# 122 LEU HB- 122 LEU HN 3.50 (# 613:10 Unique 2.58, 2.99 A)
&rst
ixpk= 613, nxpk= 10, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1838,1839,
&end
#
# 0 AMB 10-2:614 122 LEU HN 3.50 (# 614:10 Single Ambig)
&rst
ixpk= 614, nxpk= 10, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1838,1839,1841,
&end
#
# 121 LEU HB- 122 LEU HN 4.50 (# 615:10 Unique 2.24, 3.16 A)
&rst
ixpk= 615, nxpk= 10, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1819,1820,
&end
#
# 121 LEU HB+ 122 LEU HN 4.50 (# 616:10 Unique 2.24, 3.16 A)
&rst
ixpk= 616, nxpk= 10, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1819,1820,
&end
#
# 113 ALA MB 122 LEU HN 5.50 (# 617:10 Unique 5.49, 6.51 A)
&rst
ixpk= 617, nxpk= 10, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1728,1729,1730,
&end
#
# 0 AMB 10-2:618 122 LEU HN 3.50 (# 618:10 Single Ambig)
&rst
ixpk= 618, nxpk= 10, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1824,1825,1826,1828,1829,1830,1697,1698,1699,1701,
1702,1703,1843,1844,1845,1847,1848,1849,
&end
#
# 121 LEU HG 122 LEU HN 5.50 (# 619:10 Unique 4.46, 4.75 A)
&rst
ixpk= 619, nxpk= 10, iat=1822,1834, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 THR HA 123 THR HN 3.50 (# 622:10 Unique 2.97, 2.99 A)
&rst
ixpk= 622, nxpk= 10, iat=1855,1853, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 LEU HA 123 THR HN 2.80 (# 623:10 Unique 2.16, 2.22 A)
&rst
ixpk= 623, nxpk= 10, iat=1836,1853, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 136 LEU HA 123 THR HN 4.50 (# 624:10 Unique 3.46, 3.79 A)
&rst
ixpk= 624, nxpk= 10, iat=2044,1853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 THR HB 123 THR HN 3.50 (# 625:10 Unique 2.79, 2.87 A)
&rst
ixpk= 625, nxpk= 10, iat=1857,1853, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 LEU HB- 123 THR HN 4.50 (# 626:10 Unique 2.78, 3.92 A)
&rst
ixpk= 626, nxpk= 10, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1838,1839,
&end
#
# 0 AMB 10-2:627 123 THR HN 4.50 (# 627:10 Single Ambig)
&rst
ixpk= 627, nxpk= 10, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1841,1838,1839,
&end
#
# 0 AMB 10-2:628 123 THR HN 6.50 (# 628:10 Single Ambig)
&rst
ixpk= 628, nxpk= 10, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00,
igr1=2065,2066,2067,1819,1820,
&end
#
# 122 LEU MDX 123 THR HN 4.50 (# 630:10 Unique 2.15, 4.59 A)
&rst
ixpk= 630, nxpk= 10, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1843,1844,1845,1847,1848,1849,
&end
#
# 124 LEU HN 125 VAL HN 4.50 (# 631:10 Unique 4.23, 4.44 A)
&rst
ixpk= 631, nxpk= 10, iat=1867,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 GLN HA 125 VAL HN 4.50 (# 632:10 Unique 3.68, 4.08 A)
&rst
ixpk= 632, nxpk= 10, iat=2013,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 LEU HA 125 VAL HN 2.80 (# 633:10 Unique 2.12, 2.24 A)
&rst
ixpk= 633, nxpk= 10, iat=1869,1886, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 125 VAL HA 125 VAL HN 4.50 (# 634:10 Unique 2.97, 2.99 A)
&rst
ixpk= 634, nxpk= 10, iat=1888,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 125 VAL HB 125 VAL HN 3.50 (# 636:10 Unique 2.70, 2.92 A)
&rst
ixpk= 636, nxpk= 10, iat=1890,1886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:637 125 VAL HN 5.50 (# 637:10 Single Ambig)
&rst
ixpk= 637, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1987,1874,
&end
#
# 124 LEU HB+ 125 VAL HN 3.50 (# 638:10 Unique 2.71, 3.57 A)
&rst
ixpk= 638, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1871,1872,
&end
#
# 124 LEU MDX 125 VAL HN 4.50 (# 639:10 Unique 4.17, 5.63 A)
&rst
ixpk= 639, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1876,1877,1878,1880,1881,1882,
&end
#
# 125 VAL MGY 125 VAL HN 3.50 (# 640:10 Unique 2.69, 4.35 A)
&rst
ixpk= 640, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1892,1893,1894,1896,1897,1898,
&end
#
# 108 PHE HN 126 CYS HN 5.50 (# 641:10 Unique 2.68, 2.91 A)
&rst
ixpk= 641, nxpk= 10, iat=1638,1902, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:642 126 CYS HN 3.50 (# 642:10 Single Ambig)
&rst
ixpk= 642, nxpk= 10, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1904,1660,
&end
#
# 125 VAL HA 126 CYS HN 2.80 (# 643:10 Unique 2.12, 2.17 A)
&rst
ixpk= 643, nxpk= 10, iat=1888,1902, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:644 126 CYS HN 5.50 (# 644:10 Single Ambig)
&rst
ixpk= 644, nxpk= 10, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1662,1663,1662,1663,
&end
#
# 126 CYS HB+ 126 CYS HN 3.50 (# 646:10 Unique 2.51, 2.77 A)
&rst
ixpk= 646, nxpk= 10, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1906,1907,
&end
#
# 125 VAL HB 126 CYS HN 4.50 (# 647:10 Unique 3.96, 4.07 A)
&rst
ixpk= 647, nxpk= 10, iat=1890,1902, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 128 GLY HN 129 SER HN 3.50 (# 678:10 Unique 2.13, 2.36 A)
&rst
ixpk= 678, nxpk= 10, iat=1924,1931, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 127 SER HN 129 SER HN 5.50 (# 679:10 Unique 3.17, 3.31 A)
&rst
ixpk= 679, nxpk= 10, iat=1913,1931, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 TRP HN 129 SER HN 4.50 (# 680:10 Unique 4.39, 4.44 A)
&rst
ixpk= 680, nxpk= 10, iat=1942,1931, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 126 CYS HA 129 SER HN 6.50 (# 681:10 Unique 4.19, 4.45 A)
&rst
ixpk= 681, nxpk= 10, iat=1904,1931, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 129 SER HA 129 SER HN 3.50 (# 682:10 Unique 2.94, 2.97 A)
&rst
ixpk= 682, nxpk= 10, iat=1933,1931, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:685 129 SER HN 3.50 (# 685:10 Single Ambig)
&rst
ixpk= 685, nxpk= 10, iat= -1,1931, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1935,1936,1935,1936,
&end
#
# 126 CYS HB- 129 SER HN 5.50 (# 686:10 Unique 3.36, 5.55 A)
&rst
ixpk= 686, nxpk= 10, iat= -1,1931, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1906,1907,
&end
#
# 0 AMB 10-2:687 129 SER HN 5.50 (# 687:10 Single Ambig)
&rst
ixpk= 687, nxpk= 10, iat= -1,1931, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1601,1602,1601,1602,1631,1632,
&end
#
# 105 ILE HB 129 SER HN 4.50 (# 688:10 Unique 3.92, 4.14 A)
&rst
ixpk= 688, nxpk= 10, iat=1595,1931, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 ILE QD1 129 SER HN 5.50 (# 689:10 Unique 4.72, 6.43 A)
&rst
ixpk= 689, nxpk= 10, iat= -1,1931, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1604,1605,1606,
&end
#
# 129 SER HN 130 TRP HN 5.50 (# 691:10 Unique 4.39, 4.44 A)
&rst
ixpk= 691, nxpk= 10, iat=1931,1942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 TRP HE3 130 TRP HN 5.50 (# 692:10 Unique 4.75, 4.94 A)
&rst
ixpk= 692, nxpk= 10, iat=1961,1942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 SER HA 130 TRP HN 2.80 (# 693:10 Unique 2.17, 2.23 A)
&rst
ixpk= 693, nxpk= 10, iat=1933,1942, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 130 TRP HA 130 TRP HN 3.50 (# 694:10 Unique 2.76, 2.80 A)
&rst
ixpk= 694, nxpk= 10, iat=1944,1942, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:695 130 TRP HN 3.50 (# 695:10 Single Ambig)
&rst
ixpk= 695, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1935,1936,1935,1936,
&end
#
# 0 AMB 10-2:696 130 TRP HN 3.50 (# 696:10 Single Ambig)
&rst
ixpk= 696, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1946,1947,1946,1947,
&end
#
# 0 AMB 10-2:697 130 TRP HN 5.50 (# 697:10 Single Ambig)
&rst
ixpk= 697, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1601,1602,1601,1602,
&end
#
# 105 ILE QD1 130 TRP HN 3.50 (# 698:10 Unique 2.23, 3.76 A)
&rst
ixpk= 698, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1604,1605,1606,
&end
#
# 99 ILE QG2 130 TRP HN 5.50 (# 699:10 Unique 5.93, 6.94 A)
&rst
ixpk= 699, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1513,1514,1515,
&end
#
# 28 ILE QD1 130 TRP HN 4.50 (# 700:10 Unique 4.26, 5.06 A)
&rst
ixpk= 700, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 425, 426, 427,
&end
#
# 134 GLN HA 134 GLN HN 3.50 (# 701:10 Unique 2.89, 2.96 A)
&rst
ixpk= 701, nxpk= 10, iat=2013,2011, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:703 134 GLN HN 3.50 (# 703:10 Single Ambig)
&rst
ixpk= 703, nxpk= 10, iat= -1,2011, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2015,2016,2018,2019,
&end
#
# 134 GLN HB+ 134 GLN HN 3.50 (# 704:10 Unique 2.39, 3.19 A)
&rst
ixpk= 704, nxpk= 10, iat= -1,2011, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2015,2016,
&end
#
# 0 AMB 10-2:705 134 GLN HN 6.50 (# 705:10 Single Ambig)
&rst
ixpk= 705, nxpk= 10, iat= -1,2011, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1874,1987,
&end
#
# 135 THR MG2 134 GLN HN 6.50 (# 706:10 Unique 4.75, 6.46 A)
&rst
ixpk= 706, nxpk= 10, iat= -1,2011, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1=2034,2035,2036,
&end
#
# 124 LEU MDX 134 GLN HN 5.50 (# 707:10 Unique 4.80, 6.89 A)
&rst
ixpk= 707, nxpk= 10, iat= -1,2011, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1876,1877,1878,1880,1881,1882,
&end
#
# 122 LEU MDX 134 GLN HN 5.50 (# 708:10 Unique 5.95, 7.86 A)
&rst
ixpk= 708, nxpk= 10, iat= -1,2011, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1843,1844,1845,1847,1848,1849,
&end
#
# 124 LEU HA 135 THR HN 4.50 (# 709:10 Unique 3.35, 3.74 A)
&rst
ixpk= 709, nxpk= 10, iat=1869,2028, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 GLN HA 135 THR HN 2.80 (# 710:10 Unique 2.13, 2.18 A)
&rst
ixpk= 710, nxpk= 10, iat=2013,2028, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 122 LEU HA 135 THR HN 4.50 (# 711:10 Unique 4.26, 4.45 A)
&rst
ixpk= 711, nxpk= 10, iat=1836,2028, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 135 THR HA 135 THR HN 3.50 (# 712:10 Unique 2.94, 2.98 A)
&rst
ixpk= 712, nxpk= 10, iat=2030,2028, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 123 THR HB 135 THR HN 4.50 (# 713:10 Unique 3.68, 4.00 A)
&rst
ixpk= 713, nxpk= 10, iat=1857,2028, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 135 THR HB 135 THR HN 3.50 (# 714:10 Unique 2.61, 3.16 A)
&rst
ixpk= 714, nxpk= 10, iat=2032,2028, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 134 GLN HG+ 135 THR HN 4.50 (# 715:10 Unique 2.90, 4.09 A)
&rst
ixpk= 715, nxpk= 10, iat= -1,2028, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2018,2019,
&end
#
# 122 LEU HB- 135 THR HN 5.50 (# 716:10 Unique 4.20, 5.73 A)
&rst
ixpk= 716, nxpk= 10, iat= -1,2028, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1838,1839,
&end
#
# 134 GLN HB+ 135 THR HN 4.50 (# 717:10 Unique 2.85, 3.94 A)
&rst
ixpk= 717, nxpk= 10, iat= -1,2028, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2015,2016,
&end
#
# 0 AMB 10-2:718 135 THR HN 4.50 (# 718:10 Single Ambig)
&rst
ixpk= 718, nxpk= 10, iat= -1,2028, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1841,1874,1838,1839,
&end
#
# 135 THR MG2 135 THR HN 3.50 (# 719:10 Unique 2.40, 3.41 A)
&rst
ixpk= 719, nxpk= 10, iat= -1,2028, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2034,2035,2036,
&end
#
# 124 LEU MDX 135 THR HN 3.50 (# 720:10 Unique 3.04, 5.76 A)
&rst
ixpk= 720, nxpk= 10, iat= -1,2028, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1876,1877,1878,1880,1881,1882,
&end
#
# 122 LEU MDX 135 THR HN 4.50 (# 721:10 Unique 2.58, 5.00 A)
&rst
ixpk= 721, nxpk= 10, iat= -1,2028, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1843,1844,1845,1847,1848,1849,
&end
#
# 123 THR HN 137 ALA HN 4.50 (# 724:10 Unique 3.35, 4.09 A)
&rst
ixpk= 724, nxpk= 10, iat=1853,2061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:725 137 ALA HN 4.50 (# 725:10 Single Ambig)
&rst
ixpk= 725, nxpk= 10, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2042,1815,
&end
#
# 122 LEU HA 137 ALA HN 4.50 (# 726:10 Unique 2.29, 2.73 A)
&rst
ixpk= 726, nxpk= 10, iat=1836,2061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 136 LEU HA 137 ALA HN 2.80 (# 727:10 Unique 2.07, 2.14 A)
&rst
ixpk= 727, nxpk= 10, iat=2044,2061, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 137 ALA HA 137 ALA HN 3.50 (# 728:10 Unique 2.22, 2.31 A)
&rst
ixpk= 728, nxpk= 10, iat=2063,2061, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 136 LEU HB+ 137 ALA HN 4.50 (# 729:10 Unique 2.59, 3.68 A)
&rst
ixpk= 729, nxpk= 10, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2046,2047,
&end
#
# 137 ALA MB 137 ALA HN 3.50 (# 730:10 Unique 2.40, 3.32 A)
&rst
ixpk= 730, nxpk= 10, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2065,2066,2067,
&end
#
# 135 THR MG2 137 ALA HN 5.50 (# 731:10 Unique 4.31, 5.54 A)
&rst
ixpk= 731, nxpk= 10, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2034,2035,2036,
&end
#
# 136 LEU MDX 137 ALA HN 4.50 (# 732:10 Unique 3.36, 5.39 A)
&rst
ixpk= 732, nxpk= 10, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2051,2052,2053,2055,2056,2057,
&end
#
# 0 AMB 10-2:733 137 ALA HN 5.50 (# 733:10 Single Ambig)
&rst
ixpk= 733, nxpk= 10, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1843,1844,1845,1847,1848,1849,1824,1825,1826,1828,
1829,1830,
&end
#
# 139 ASP HA 139 ASP HN 4.50 (# 734:10 Unique 2.26, 2.77 A)
&rst
ixpk= 734, nxpk= 10, iat=2097,2095, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 138 ARG HA 139 ASP HN 4.50 (# 735:10 Unique 2.59, 3.04 A)
&rst
ixpk= 735, nxpk= 10, iat=2073,2095, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 139 ASP HB- 139 ASP HN 4.50 (# 736:10 Unique 2.27, 2.52 A)
&rst
ixpk= 736, nxpk= 10, iat= -1,2095, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2099,2100,
&end
#
# 139 ASP HB+ 139 ASP HN 4.50 (# 737:10 Unique 2.27, 2.52 A)
&rst
ixpk= 737, nxpk= 10, iat= -1,2095, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2099,2100,
&end
#
# 0 AMB 10-2:738 139 ASP HN 5.50 (# 738:10 Single Ambig)
&rst
ixpk= 738, nxpk= 10, iat= -1,2095, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2075,2076,2075,2076,
&end
#
# 0 AMB 10-2:739 139 ASP HN 6.50 (# 739:10 Single Ambig)
&rst
ixpk= 739, nxpk= 10, iat= -1,2095, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=2078,2079,2078,2079,
&end
#
# 0 AMB 10-2:740 140 THR HN 4.50 (# 740:10 Single Ambig)
&rst
ixpk= 740, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2121,2095,
&end
#
# 139 ASP HA 140 THR HN 3.50 (# 742:10 Unique 2.23, 3.47 A)
&rst
ixpk= 742, nxpk= 10, iat=2097,2107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 139 ASP HB+ 140 THR HN 5.50 (# 744:10 Unique 2.11, 3.46 A)
&rst
ixpk= 744, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2099,2100,
&end
#
# 140 THR MG2 140 THR HN 4.50 (# 745:10 Unique 2.12, 3.48 A)
&rst
ixpk= 745, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2113,2114,2115,
&end
#
# 0 AMB 10-2:746 141 ARG HN 3.50 (# 746:10 Single Ambig)
&rst
ixpk= 746, nxpk= 10, iat= -1,2121, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2073,2111,2109,
&end
#
# 140 THR MG2 141 ARG HN 5.50 (# 748:10 Unique 2.73, 4.20 A)
&rst
ixpk= 748, nxpk= 10, iat= -1,2121, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2113,2114,2115,
&end
#
# 38 VAL HN 99 ILE HN 4.50 (# 749:10 Unique 2.88, 3.08 A)
&rst
ixpk= 749, nxpk= 10, iat= 559,1507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:751 99 ILE HN 4.50 (# 751:10 Single Ambig)
&rst
ixpk= 751, nxpk= 10, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 555,1593,
&end
#
# 99 ILE HA 99 ILE HN 3.50 (# 752:10 Unique 2.97, 2.99 A)
&rst
ixpk= 752, nxpk= 10, iat=1509,1507, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 VAL HA 99 ILE HN 2.80 (# 753:10 Unique 2.04, 2.12 A)
&rst
ixpk= 753, nxpk= 10, iat=1493,1507, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 99 ILE HB 99 ILE HN 3.50 (# 754:10 Unique 2.47, 2.56 A)
&rst
ixpk= 754, nxpk= 10, iat=1511,1507, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:755 99 ILE HN 3.50 (# 755:10 Single Ambig)
&rst
ixpk= 755, nxpk= 10, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1517,1518, 406, 407, 408,
&end
#
# 98 VAL MGY 99 ILE HN 3.50 (# 756:10 Unique 2.47, 3.93 A)
&rst
ixpk= 756, nxpk= 10, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1497,1498,1499,1501,1502,1503,
&end
#
# 99 ILE QG2 99 ILE HN 4.50 (# 757:10 Unique 4.34, 4.62 A)
&rst
ixpk= 757, nxpk= 10, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1513,1514,1515,
&end
#
# 61 TRP HZ2 61 TRP HE1 3.50 (# 758:10 Unique 2.88, 2.90 A)
&rst
ixpk= 758, nxpk= 10, iat= 935, 932, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 TRP HD1 61 TRP HE1 3.50 (# 759:10 Unique 2.56, 2.57 A)
&rst
ixpk= 759, nxpk= 10, iat= 930, 932, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 94 GLN HA 61 TRP HE1 5.50 (# 761:10 Unique 4.29, 4.88 A)
&rst
ixpk= 761, nxpk= 10, iat=1429, 932, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 PRO HD+ 61 TRP HE1 6.50 (# 762:10 Unique 2.61, 3.80 A)
&rst
ixpk= 762, nxpk= 10, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1445,1446,
&end
#
# 95 PRO HD- 61 TRP HE1 4.50 (# 763:10 Unique 2.61, 3.80 A)
&rst
ixpk= 763, nxpk= 10, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1445,1446,
&end
#
# 94 GLN HG+ 61 TRP HE1 5.50 (# 764:10 Unique 5.60, 6.22 A)
&rst
ixpk= 764, nxpk= 10, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1434,1435,
&end
#
# 51 VAL HN 64 LEU HN 5.50 (# 768:10 Unique 3.90, 4.20 A)
&rst
ixpk= 768, nxpk= 10, iat= 766, 976, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 MET HA 64 LEU HN 5.50 (# 769:10 Unique 2.16, 2.66 A)
&rst
ixpk= 769, nxpk= 10, iat= 751, 976, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 PRO HA 64 LEU HN 3.50 (# 770:10 Unique 2.18, 2.26 A)
&rst
ixpk= 770, nxpk= 10, iat= 972, 976, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:771 0 AMB 10-1:771 3.50 (# 771:10 Double Ambig)
&rst
ixpk= 771, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1002,1003, 969, 970,
igr2= 995, 976,
&end
#
# 64 LEU HB- 0 AMB 10-1:772 3.50 (# 772:10 Single Ambig)
&rst
ixpk= 772, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 980, 981,
igr2= 995, 976,
&end
#
# 0 AMB 10-2:774 0 AMB 10-1:774 3.50 (# 774:10 Double Ambig)
&rst
ixpk= 774, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 980, 981, 980, 981,
igr2= 995, 976,
&end
#
# 51 VAL MGY 0 AMB 10-1:775 6.50 (# 775:10 Single Ambig)
&rst
ixpk= 775, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1= 772, 773, 774, 776, 777, 778,
igr2= 976, 995,
&end
#
# 0 AMB 10-2:776 65 GLN HN 3.50 (# 776:10 Single Ambig)
&rst
ixpk= 776, nxpk= 10, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 985, 986, 987, 989, 990, 991, 952, 953, 954, 956,
957, 958,
&end
#
# 48 ARG HA 49 ILE HN 3.50 (# 778:10 Unique 2.16, 2.35 A)
&rst
ixpk= 778, nxpk= 10, iat= 708, 730, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 ILE HB 49 ILE HN 4.50 (# 779:10 Unique 2.58, 2.70 A)
&rst
ixpk= 779, nxpk= 10, iat= 734, 730, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:780 49 ILE HN 3.50 (# 780:10 Single Ambig)
&rst
ixpk= 780, nxpk= 10, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 740, 741, 710, 711,
&end
#
# 0 AMB 10-2:781 49 ILE HN 5.50 (# 781:10 Single Ambig)
&rst
ixpk= 781, nxpk= 10, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 592, 593, 736, 737, 738,
&end
#
# 0 AMB 10-2:782 49 ILE HN 5.50 (# 782:10 Single Ambig)
&rst
ixpk= 782, nxpk= 10, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 743, 744, 745, 985, 986, 987, 989, 990, 991,
&end
#
# 9 ALA HN 8 VAL HN 4.50 (# 783:10 Unique 2.12, 2.77 A)
&rst
ixpk= 783, nxpk= 10, iat= 126, 110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 GLY HN 119 GLU HN 3.50 (# 784:10 Unique 2.42, 2.49 A)
&rst
ixpk= 784, nxpk= 10, iat=1779,1786, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 114 ASN HN 119 GLU HN 4.50 (# 785:10 Unique 3.11, 3.45 A)
&rst
ixpk= 785, nxpk= 10, iat=1734,1786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 THR HA 119 GLU HN 5.50 (# 786:10 Unique 4.28, 4.43 A)
&rst
ixpk= 786, nxpk= 10, iat=1767,1786, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:787 119 GLU HN 3.50 (# 787:10 Single Ambig)
&rst
ixpk= 787, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1769,1788,
&end
#
# 118 GLY HA- 119 GLU HN 3.50 (# 788:10 Unique 3.41, 7.45 A)
&rst
ixpk= 788, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1781,1782,
&end
#
# 0 AMB 10-2:789 119 GLU HN 4.50 (# 789:10 Single Ambig)
&rst
ixpk= 789, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1802,1803,1802,1803,
&end
#
# 118 GLY HA+ 119 GLU HN 3.50 (# 790:10 Unique 3.41, 7.45 A)
&rst
ixpk= 790, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1781,1782,
&end
#
# 114 ASN HB- 119 GLU HN 3.50 (# 791:10 Unique 2.74, 3.83 A)
&rst
ixpk= 791, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1738,1739,
&end
#
# 114 ASN HB+ 119 GLU HN 3.50 (# 792:10 Unique 2.74, 3.83 A)
&rst
ixpk= 792, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1738,1739,
&end
#
# 0 AMB 10-2:793 119 GLU HN 3.50 (# 793:10 Single Ambig)
&rst
ixpk= 793, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1793,1794,1793,1794,
&end
#
# 119 GLU HB- 119 GLU HN 2.80 (# 794:10 Unique 2.31, 2.84 A)
&rst
ixpk= 794, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1790,1791,
&end
#
# 117 THR MG2 119 GLU HN 4.50 (# 795:10 Unique 3.91, 4.86 A)
&rst
ixpk= 795, nxpk= 10, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1771,1772,1773,
&end
#
# 0 AMB 10-2:797 29 ASP HN 3.50 (# 797:10 Single Ambig)
&rst
ixpk= 797, nxpk= 10, iat= -1, 431, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 412, 443,
&end
#
# 26 LEU HA 29 ASP HN 5.50 (# 798:10 Unique 3.46, 3.60 A)
&rst
ixpk= 798, nxpk= 10, iat= 385, 431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ASP HB+ 29 ASP HN 3.50 (# 799:10 Unique 2.29, 2.48 A)
&rst
ixpk= 799, nxpk= 10, iat= -1, 431, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 435, 436,
&end
#
# 29 ASP HA 29 ASP HN 4.50 (# 800:10 Unique 2.83, 2.84 A)
&rst
ixpk= 800, nxpk= 10, iat= 433, 431, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 ILE HB 29 ASP HN 4.50 (# 801:10 Unique 2.49, 2.64 A)
&rst
ixpk= 801, nxpk= 10, iat= 416, 431, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 ARG HA 60 ARG HN 4.50 (# 804:10 Unique 2.56, 2.89 A)
&rst
ixpk= 804, nxpk= 10, iat= 900, 898, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:805 60 ARG HN 4.50 (# 805:10 Single Ambig)
&rst
ixpk= 805, nxpk= 10, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 878, 879, 908, 909,
&end
#
# 0 AMB 10-2:806 60 ARG HN 4.50 (# 806:10 Single Ambig)
&rst
ixpk= 806, nxpk= 10, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 902, 903, 902, 903,
&end
#
# 0 AMB 10-2:807 60 ARG HN 4.50 (# 807:10 Single Ambig)
&rst
ixpk= 807, nxpk= 10, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 789, 790, 905, 906, 905, 906,
&end
#
# 110 LEU HG 125 VAL HN 6.50 (# 808:10 Unique 6.55, 6.59 A)
&rst
ixpk= 808, nxpk= 10, iat=1676,1886, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 42 PHE HB+ 43 SER HN 5.50 (# 809:10 Unique 3.10, 3.92 A)
&rst
ixpk= 809, nxpk= 10, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 622, 623,
&end
#
# 11 THR HN 12 ARG HN 3.50 (# 817:10 Unique 2.72, 2.81 A)
&rst
ixpk= 817, nxpk= 10, iat= 150, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 THR HB 12 ARG HN 3.50 (# 818:10 Unique 2.39, 2.46 A)
&rst
ixpk= 818, nxpk= 10, iat= 154, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 ARG HA 12 ARG HN 3.50 (# 819:10 Unique 2.82, 2.89 A)
&rst
ixpk= 819, nxpk= 10, iat= 166, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 VAL HA 12 ARG HN 4.50 (# 820:10 Unique 3.64, 4.02 A)
&rst
ixpk= 820, nxpk= 10, iat= 112, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 ARG HD+ 12 ARG HN 4.50 (# 821:10 Unique 3.14, 4.41 A)
&rst
ixpk= 821, nxpk= 10, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 174, 175,
&end
#
# 12 ARG HD- 12 ARG HN 5.50 (# 822:10 Unique 3.14, 4.41 A)
&rst
ixpk= 822, nxpk= 10, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 174, 175,
&end
#
# 12 ARG HB- 12 ARG HN 2.80 (# 823:10 Unique 2.21, 3.01 A)
&rst
ixpk= 823, nxpk= 10, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 168, 169,
&end
#
# 12 ARG HB+ 12 ARG HN 2.80 (# 824:10 Unique 2.21, 3.01 A)
&rst
ixpk= 824, nxpk= 10, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 168, 169,
&end
#
# 12 ARG HG+ 12 ARG HN 4.50 (# 825:10 Unique 2.17, 3.00 A)
&rst
ixpk= 825, nxpk= 10, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 171, 172,
&end
#
# 0 AMB 10-2:826 12 ARG HN 4.50 (# 826:10 Single Ambig)
&rst
ixpk= 826, nxpk= 10, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 192, 193, 194, 130, 131, 132,
&end
#
# 11 THR MG2 12 ARG HN 4.50 (# 827:10 Unique 3.57, 4.39 A)
&rst
ixpk= 827, nxpk= 10, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 156, 157, 158,
&end
#
# 8 VAL MGY 12 ARG HN 4.50 (# 828:10 Unique 3.73, 5.56 A)
&rst
ixpk= 828, nxpk= 10, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 80 LEU MDX 12 ARG HN 5.50 (# 829:10 Unique 3.81, 6.15 A)
&rst
ixpk= 829, nxpk= 10, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1215,1216,1217,1219,1220,1221,
&end
#
# 124 LEU HA 133 ASP HN 4.50 (# 830:10 Unique 4.34, 4.50 A)
&rst
ixpk= 830, nxpk= 10, iat=1869,1999, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 LEU HN 122 LEU HN 3.50 (# 833:10 Unique 1.96, 2.12 A)
&rst
ixpk= 833, nxpk= 10, iat=1815,1834, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 MET HN 122 LEU HN 4.50 (# 834:10 Unique 2.94, 3.28 A)
&rst
ixpk= 834, nxpk= 10, iat=1707,1834, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 PHE HD 87 PHE HN 3.50 (# 835:10 Unique 2.29, 3.48 A)
&rst
ixpk= 835, nxpk= 10, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1330,1338,
&end
#
# 88 LYS HN 87 PHE HN 4.50 (# 836:10 Unique 3.49, 4.53 A)
&rst
ixpk= 836, nxpk= 10, iat=1342,1322, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 PHE HA 87 PHE HN 3.50 (# 837:10 Unique 2.28, 2.84 A)
&rst
ixpk= 837, nxpk= 10, iat=1324,1322, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 PRO HA 87 PHE HN 4.50 (# 838:10 Unique 2.19, 3.43 A)
&rst
ixpk= 838, nxpk= 10, iat=1318,1322, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 GLN HA 87 PHE HN 4.50 (# 839:10 Unique 2.82, 3.26 A)
&rst
ixpk= 839, nxpk= 10, iat=1293,1322, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 PRO HD+ 87 PHE HN 4.50 (# 840:10 Unique 2.56, 3.37 A)
&rst
ixpk= 840, nxpk= 10, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1309,1310,
&end
#
# 86 PRO HD- 87 PHE HN 4.50 (# 841:10 Unique 2.56, 3.37 A)
&rst
ixpk= 841, nxpk= 10, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1309,1310,
&end
#
# 87 PHE HB- 87 PHE HN 4.50 (# 842:10 Unique 2.38, 3.16 A)
&rst
ixpk= 842, nxpk= 10, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1326,1327,
&end
#
# 87 PHE HB+ 87 PHE HN 3.50 (# 843:10 Unique 2.38, 3.16 A)
&rst
ixpk= 843, nxpk= 10, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1326,1327,
&end
#
# 86 PRO HG- 87 PHE HN 4.50 (# 846:10 Unique 2.63, 3.79 A)
&rst
ixpk= 846, nxpk= 10, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1312,1313,
&end
#
# 0 AMB 10-2:847 87 PHE HN 5.50 (# 847:10 Single Ambig)
&rst
ixpk= 847, nxpk= 10, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1276,1277,1462,1463,
&end
#
# 97 VAL MGY 87 PHE HN 6.50 (# 848:10 Unique 5.72, 8.44 A)
&rst
ixpk= 848, nxpk= 10, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1481,1482,1483,1485,1486,1487,
&end
#
# 85 GLN HN 87 PHE HN 5.50 (# 849:10 Unique 4.21, 4.70 A)
&rst
ixpk= 849, nxpk= 10, iat=1291,1322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 SER HN 94 GLN HN 5.50 (# 850:10 Unique 3.45, 4.39 A)
&rst
ixpk= 850, nxpk= 10, iat=1402,1427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 GLN HA 94 GLN HN 3.50 (# 851:10 Unique 2.89, 2.96 A)
&rst
ixpk= 851, nxpk= 10, iat=1429,1427, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 SER HA 94 GLN HN 4.50 (# 852:10 Unique 3.73, 3.98 A)
&rst
ixpk= 852, nxpk= 10, iat=1404,1427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:853 94 GLN HN 3.50 (# 853:10 Single Ambig)
&rst
ixpk= 853, nxpk= 10, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1406,1407,1415,
&end
#
# 92 SER HB- 94 GLN HN 4.50 (# 854:10 Unique 2.69, 3.55 A)
&rst
ixpk= 854, nxpk= 10, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1406,1407,
&end
#
# 93 ASN HB- 94 GLN HN 4.50 (# 855:10 Unique 3.40, 4.14 A)
&rst
ixpk= 855, nxpk= 10, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1417,1418,
&end
#
# 94 GLN HG- 94 GLN HN 5.50 (# 856:10 Unique 2.55, 2.92 A)
&rst
ixpk= 856, nxpk= 10, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1434,1435,
&end
#
# 94 GLN HG+ 94 GLN HN 4.50 (# 857:10 Unique 2.55, 2.92 A)
&rst
ixpk= 857, nxpk= 10, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1434,1435,
&end
#
# 122 LEU HA 138 ARG HN 6.50 (# 858:10 Unique 3.86, 4.74 A)
&rst
ixpk= 858, nxpk= 10, iat=1836,2071, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 136 LEU HA 138 ARG HN 5.50 (# 859:10 Unique 4.08, 4.82 A)
&rst
ixpk= 859, nxpk= 10, iat=2044,2071, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 ARG HA 138 ARG HN 4.50 (# 860:10 Unique 2.22, 2.45 A)
&rst
ixpk= 860, nxpk= 10, iat=2073,2071, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 ALA HA 138 ARG HN 3.50 (# 861:10 Unique 2.06, 2.69 A)
&rst
ixpk= 861, nxpk= 10, iat=2063,2071, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:862 138 ARG HN 3.50 (# 862:10 Single Ambig)
&rst
ixpk= 862, nxpk= 10, iat= -1,2071, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2075,2076,2075,2076,
&end
#
# 0 AMB 10-2:863 138 ARG HN 4.50 (# 863:10 Single Ambig)
&rst
ixpk= 863, nxpk= 10, iat= -1,2071, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2078,2079,2078,2079,
&end
#
# 137 ALA MB 138 ARG HN 4.50 (# 864:10 Unique 2.12, 4.06 A)
&rst
ixpk= 864, nxpk= 10, iat= -1,2071, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2065,2066,2067,
&end
#
# 133 ASP HN 132 LEU HN 4.50 (# 865:10 Unique 4.28, 4.47 A)
&rst
ixpk= 865, nxpk= 10, iat=1999,1980, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 130 TRP HA 132 LEU HN 4.50 (# 866:10 Unique 2.77, 3.55 A)
&rst
ixpk= 866, nxpk= 10, iat=1944,1980, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 132 LEU HA 132 LEU HN 3.50 (# 867:10 Unique 2.24, 2.59 A)
&rst
ixpk= 867, nxpk= 10, iat=1982,1980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 131 PRO HA 132 LEU HN 3.50 (# 868:10 Unique 2.45, 2.80 A)
&rst
ixpk= 868, nxpk= 10, iat=1976,1980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 132 LEU HG 132 LEU HN 4.50 (# 869:10 Unique 3.74, 3.88 A)
&rst
ixpk= 869, nxpk= 10, iat=1987,1980, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 132 LEU HB- 132 LEU HN 3.50 (# 870:10 Unique 2.27, 3.42 A)
&rst
ixpk= 870, nxpk= 10, iat= -1,1980, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1984,1985,
&end
#
# 132 LEU HB+ 132 LEU HN 3.50 (# 871:10 Unique 2.27, 3.42 A)
&rst
ixpk= 871, nxpk= 10, iat= -1,1980, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1984,1985,
&end
#
# 0 AMB 10-2:872 132 LEU HN 3.50 (# 872:10 Single Ambig)
&rst
ixpk= 872, nxpk= 10, iat= -1,1980, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1989,1990,1991,1993,1994,1995, 358, 359, 360, 362,
363, 364,
&end
#
# 132 LEU MDY 132 LEU HN 4.50 (# 873:10 Unique 2.52, 4.56 A)
&rst
ixpk= 873, nxpk= 10, iat= -1,1980, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1989,1990,1991,1993,1994,1995,
&end
#
# 50 MET HA 62 VAL HN 5.50 (# 875:10 Unique 4.23, 4.46 A)
&rst
ixpk= 875, nxpk= 10, iat= 751, 946, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 TRP HA 62 VAL HN 3.50 (# 876:10 Unique 2.05, 2.14 A)
&rst
ixpk= 876, nxpk= 10, iat= 924, 946, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 PRO HA 62 VAL HN 5.50 (# 877:10 Unique 4.03, 4.27 A)
&rst
ixpk= 877, nxpk= 10, iat= 792, 946, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 TRP HB- 62 VAL HN 5.50 (# 878:10 Unique 2.75, 3.49 A)
&rst
ixpk= 878, nxpk= 10, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 926, 927,
&end
#
# 61 TRP HB+ 62 VAL HN 4.50 (# 879:10 Unique 2.75, 3.49 A)
&rst
ixpk= 879, nxpk= 10, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 926, 927,
&end
#
# 50 MET ME 62 VAL HN 5.50 (# 880:10 Unique 3.44, 4.84 A)
&rst
ixpk= 880, nxpk= 10, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 760, 761, 762,
&end
#
# 50 MET HB+ 62 VAL HN 5.50 (# 881:10 Unique 3.37, 4.43 A)
&rst
ixpk= 881, nxpk= 10, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 753, 754,
&end
#
# 62 VAL MGY 62 VAL HN 3.50 (# 882:10 Unique 2.56, 4.17 A)
&rst
ixpk= 882, nxpk= 10, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 952, 953, 954, 956, 957, 958,
&end
#
# 0 AMB 10-2:883 114 ASN HD2- 5.50 (# 883:10 Single Ambig)
&rst
ixpk= 883, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1758, 52,
igr2=1743,1744,
&end
#
# 114 ASN HN 114 ASN HD2- 5.50 (# 884:10 Unique 4.61, 5.26 A)
&rst
ixpk= 884, nxpk= 10, iat=1734, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1743,1744,
&end
#
# 0 AMB 10-2:885 114 ASN HD2- 4.50 (# 885:10 Single Ambig)
&rst
ixpk= 885, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1736,1769,
igr2=1743,1744,
&end
#
# 114 ASN HB- 114 ASN HD2- 4.50 (# 886:10 Unique 2.21, 3.14 A)
&rst
ixpk= 886, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1738,1739,
igr2=1743,1744,
&end
#
# 114 ASN HB+ 114 ASN HD2- 3.50 (# 887:10 Unique 2.21, 3.14 A)
&rst
ixpk= 887, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1738,1739,
igr2=1743,1744,
&end
#
# 0 AMB 10-2:888 114 ASN HD2- 6.50 (# 888:10 Single Ambig)
&rst
ixpk= 888, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1=1793,1794,1793,1794,1195,1196,
igr2=1743,1744,
&end
#
# 9 ALA MB 114 ASN HD2- 3.50 (# 889:10 Unique 2.14, 3.83 A)
&rst
ixpk= 889, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 130, 131, 132,
igr2=1743,1744,
&end
#
# 117 THR MG2 114 ASN HD2- 4.50 (# 890:10 Unique 2.46, 4.37 A)
&rst
ixpk= 890, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1771,1772,1773,
igr2=1743,1744,
&end
#
# 121 LEU MDY 114 ASN HD2- 4.50 (# 891:10 Unique 2.70, 5.86 A)
&rst
ixpk= 891, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1824,1825,1826,1828,1829,1830,
igr2=1743,1744,
&end
#
# 121 LEU HG 114 ASN HD2- 5.50 (# 892:10 Unique 4.10, 5.71 A)
&rst
ixpk= 892, nxpk= 10, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1743,1744,
&end
#
# 74 ASN HN 47 TRP HN 4.50 (# 893:10 Unique 2.31, 2.83 A)
&rst
ixpk= 893, nxpk= 10, iat=1114, 682, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 ALA HN 47 TRP HN 5.50 (# 894:10 Unique 2.33, 4.35 A)
&rst
ixpk= 894, nxpk= 10, iat= 672, 682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 TRP HA 47 TRP HN 4.50 (# 895:10 Unique 2.62, 2.95 A)
&rst
ixpk= 895, nxpk= 10, iat= 684, 682, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 ALA HA 47 TRP HN 3.50 (# 896:10 Unique 2.18, 2.37 A)
&rst
ixpk= 896, nxpk= 10, iat= 674, 682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 TRP HB+ 47 TRP HN 4.50 (# 897:10 Unique 2.45, 3.45 A)
&rst
ixpk= 897, nxpk= 10, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 686, 687,
&end
#
# 46 ALA MB 47 TRP HN 3.50 (# 898:10 Unique 2.19, 3.41 A)
&rst
ixpk= 898, nxpk= 10, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 676, 677, 678,
&end
#
# 0 AMB 10-2:900 0 AMB 10-1:900 4.50 (# 900:10 Double Ambig)
&rst
ixpk= 900, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1758,1779,
igr2=1743,1744,1743,1744,
&end
#
# 114 ASN HN 114 ASN HD2+ 5.50 (# 901:10 Unique 4.61, 5.26 A)
&rst
ixpk= 901, nxpk= 10, iat=1734, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1743,1744,
&end
#
# 0 AMB 10-2:902 0 AMB 10-1:902 4.50 (# 902:10 Double Ambig)
&rst
ixpk= 902, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1736,1769,
igr2=1743,1744,1743,1744,
&end
#
# 114 ASN HB- 114 ASN HD2+ 4.50 (# 903:10 Unique 2.21, 3.14 A)
&rst
ixpk= 903, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1738,1739,
igr2=1743,1744,
&end
#
# 114 ASN HB+ 114 ASN HD2+ 3.50 (# 904:10 Unique 2.21, 3.14 A)
&rst
ixpk= 904, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1738,1739,
igr2=1743,1744,
&end
#
# 9 ALA MB 114 ASN HD2+ 3.50 (# 905:10 Unique 2.14, 3.83 A)
&rst
ixpk= 905, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 130, 131, 132,
igr2=1743,1744,
&end
#
# 117 THR MG2 114 ASN HD2+ 4.50 (# 906:10 Unique 2.46, 4.37 A)
&rst
ixpk= 906, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1771,1772,1773,
igr2=1743,1744,
&end
#
# 121 LEU MDY 114 ASN HD2+ 5.50 (# 907:10 Unique 2.70, 5.86 A)
&rst
ixpk= 907, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1824,1825,1826,1828,1829,1830,
igr2=1743,1744,
&end
#
# 121 LEU HG 114 ASN HD2+ 5.50 (# 908:10 Unique 4.10, 5.71 A)
&rst
ixpk= 908, nxpk= 10, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1743,1744,
&end
#
# 0 AMB 10-2:912 0 AMB 10-1:912 3.50 (# 912:10 Double Ambig)
&rst
ixpk= 912, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1581,1582,1559,1560,
igr2=1586,1587,1586,1587,
&end
#
# 104 GLN HG- 104 GLN HE2+ 3.50 (# 913:10 Unique 2.12, 3.36 A)
&rst
ixpk= 913, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1581,1582,
igr2=1586,1587,
&end
#
# 104 GLN HB- 104 GLN HE2+ 4.50 (# 914:10 Unique 2.47, 3.81 A)
&rst
ixpk= 914, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1578,1579,
igr2=1586,1587,
&end
#
# 100 LEU HG 104 GLN HE2+ 5.50 (# 915:10 Unique 3.35, 4.95 A)
&rst
ixpk= 915, nxpk= 10, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1586,1587,
&end
#
# 0 AMB 10-2:916 104 GLN HE2- 3.50 (# 916:10 Single Ambig)
&rst
ixpk= 916, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1581,1582,1559,1560,
igr2=1586,1587,
&end
#
# 104 GLN HG- 104 GLN HE2- 4.50 (# 917:10 Unique 2.12, 3.36 A)
&rst
ixpk= 917, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1581,1582,
igr2=1586,1587,
&end
#
# 104 GLN HB- 104 GLN HE2- 4.50 (# 918:10 Unique 2.47, 3.81 A)
&rst
ixpk= 918, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1578,1579,
igr2=1586,1587,
&end
#
# 100 LEU HG 104 GLN HE2- 5.50 (# 919:10 Unique 3.35, 4.95 A)
&rst
ixpk= 919, nxpk= 10, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1586,1587,
&end
#
# 10 ASN HB- 10 ASN HD2- 3.50 (# 920:10 Unique 2.17, 3.29 A)
&rst
ixpk= 920, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 140, 141,
igr2= 145, 146,
&end
#
# 121 LEU MDY 10 ASN HD2- 4.50 (# 921:10 Unique 1.93, 5.11 A)
&rst
ixpk= 921, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1824,1825,1826,1828,1829,1830,
igr2= 145, 146,
&end
#
# 0 AMB 10-2:923 73 GLN HE2- 4.50 (# 923:10 Single Ambig)
&rst
ixpk= 923, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1104,1105,1104,1105,
igr2=1109,1110,
&end
#
# 46 ALA MB 73 GLN HE2- 5.50 (# 924:10 Unique 5.88, 7.44 A)
&rst
ixpk= 924, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 676, 677, 678,
igr2=1109,1110,
&end
#
# 0 AMB 10-2:925 65 GLN HE2- 3.50 (# 925:10 Single Ambig)
&rst
ixpk= 925, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 969, 970,1002,1003,
igr2=1007,1008,
&end
#
# 73 GLN HG- 65 GLN HE2- 6.50 (# 926:10 Unique 2.41, 5.81 A)
&rst
ixpk= 926, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1104,1105,
igr2=1007,1008,
&end
#
# 0 AMB 10-2:927 65 GLN HE2- 6.50 (# 927:10 Single Ambig)
&rst
ixpk= 927, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1=1043,1044,1045,1053,1054,1055,
igr2=1007,1008,
&end
#
# 65 GLN HB+ 65 GLN HE2- 5.50 (# 928:10 Unique 2.38, 4.38 A)
&rst
ixpk= 928, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 999,1000,
igr2=1007,1008,
&end
#
# 94 GLN HG- 94 GLN HE2+ 4.50 (# 929:10 Unique 2.23, 3.37 A)
&rst
ixpk= 929, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1434,1435,
igr2=1439,1440,
&end
#
# 94 GLN HG+ 94 GLN HE2+ 3.50 (# 930:10 Unique 2.23, 3.37 A)
&rst
ixpk= 930, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1434,1435,
igr2=1439,1440,
&end
#
# 52 PRO HA 53 GLY HN 3.50 (# 932:10 Unique 2.14, 2.30 A)
&rst
ixpk= 932, nxpk= 10, iat= 792, 796, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 VAL MGY 53 GLY HN 5.50 (# 935:10 Unique 3.12, 5.95 A)
&rst
ixpk= 935, nxpk= 10, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 952, 953, 954, 956, 957, 958,
&end
#
# 89 PRO HA 96 GLN HE2+ 4.50 (# 936:10 Unique 3.03, 4.18 A)
&rst
ixpk= 936, nxpk= 10, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1470,1471,
&end
#
# 0 AMB 10-2:937 0 AMB 10-1:937 4.50 (# 937:10 Double Ambig)
&rst
ixpk= 937, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1465,1466,1465,1466,
igr2=1470,1471,1470,1471,
&end
#
# 94 GLN HG- 96 GLN HE2+ 5.50 (# 938:10 Unique 3.64, 5.73 A)
&rst
ixpk= 938, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1434,1435,
igr2=1470,1471,
&end
#
# 0 AMB 10-2:939 0 AMB 10-1:939 5.50 (# 939:10 Double Ambig)
&rst
ixpk= 939, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1295,1296,1692,1693, 532, 533,
igr2=1303,1304, 540, 541,
&end
#
# 90 ASP HN 96 GLN HE2- 4.50 (# 941:10 Unique 2.07, 2.83 A)
&rst
ixpk= 941, nxpk= 10, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1470,1471,
&end
#
# 42 PHE HN 96 GLN HE2- 5.50 (# 942:10 Unique 3.12, 3.96 A)
&rst
ixpk= 942, nxpk= 10, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1470,1471,
&end
#
# 89 PRO HA 96 GLN HE2- 4.50 (# 943:10 Unique 3.03, 4.18 A)
&rst
ixpk= 943, nxpk= 10, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1470,1471,
&end
#
# 0 AMB 10-2:944 96 GLN HE2- 4.50 (# 944:10 Single Ambig)
&rst
ixpk= 944, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1465,1466,1465,1466,
igr2=1470,1471,
&end
#
# 94 GLN HG- 96 GLN HE2- 4.50 (# 945:10 Unique 3.64, 5.73 A)
&rst
ixpk= 945, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1434,1435,
igr2=1470,1471,
&end
#
# 130 TRP HZ2 130 TRP HE1 3.50 (# 952:10 Unique 2.88, 2.90 A)
&rst
ixpk= 952, nxpk= 10, iat=1955,1952, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 130 TRP HD1 130 TRP HE1 2.80 (# 953:10 Unique 2.56, 2.57 A)
&rst
ixpk= 953, nxpk= 10, iat=1950,1952, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:954 130 TRP HE1 4.50 (# 954:10 Single Ambig)
&rst
ixpk= 954, nxpk= 10, iat= -1,1952, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1946,1947,1946,1947,
&end
#
# 131 PRO HG+ 130 TRP HE1 4.50 (# 955:10 Unique 3.40, 5.10 A)
&rst
ixpk= 955, nxpk= 10, iat= -1,1952, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1970,1971,
&end
#
# 131 PRO HB+ 130 TRP HE1 6.50 (# 956:10 Unique 3.55, 5.02 A)
&rst
ixpk= 956, nxpk= 10, iat= -1,1952, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1973,1974,
&end
#
# 25 GLU HG- 130 TRP HE1 6.50 (# 958:10 Unique 3.97, 5.58 A)
&rst
ixpk= 958, nxpk= 10, iat= -1,1952, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 375, 376,
&end
#
# 116 GLY HN 115 ALA HN 3.50 (# 959:10 Unique 2.73, 2.84 A)
&rst
ixpk= 959, nxpk= 10, iat=1758,1748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:960 115 ALA HN 4.50 (# 960:10 Single Ambig)
&rst
ixpk= 960, nxpk= 10, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1206,1743,1744,
&end
#
# 117 THR HN 115 ALA HN 5.50 (# 962:10 Unique 4.37, 4.67 A)
&rst
ixpk= 962, nxpk= 10, iat=1765,1748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 THR HN 115 ALA HN 5.50 (# 964:10 Unique 4.37, 4.67 A)
&rst
ixpk= 964, nxpk= 10, iat=1765,1748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 ALA MB 115 ALA HN 4.50 (# 965:10 Unique 3.47, 4.11 A)
&rst
ixpk= 965, nxpk= 10, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 130, 131, 132,
&end
#
# 80 LEU HB- 115 ALA HN 5.50 (# 966:10 Unique 4.73, 5.49 A)
&rst
ixpk= 966, nxpk= 10, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1210,1211,
&end
#
# 98 VAL HN 99 ILE HN 4.50 (# 967:10 Unique 4.32, 4.40 A)
&rst
ixpk= 967, nxpk= 10, iat=1491,1507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:968 99 ILE HN 6.50 (# 968:10 Single Ambig)
&rst
ixpk= 968, nxpk= 10, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1477, 792,
&end
#
# 0 AMB 10-2:971 99 ILE HN 4.50 (# 971:10 Single Ambig)
&rst
ixpk= 971, nxpk= 10, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 552, 553,1601,1602,1601,1602,
&end
#
# 0 AMB 10-2:972 99 ILE HN 6.50 (# 972:10 Single Ambig)
&rst
ixpk= 972, nxpk= 10, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1530,1531, 786, 787,
&end
#
# 0 AMB 10-2:973 99 ILE HN 5.50 (# 973:10 Single Ambig)
&rst
ixpk= 973, nxpk= 10, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1448,1449, 595, 596, 597, 425, 426, 427,
&end
#
# 61 TRP HH2 61 TRP HE1 5.50 (# 974:10 Unique 5.06, 5.09 A)
&rst
ixpk= 974, nxpk= 10, iat= 937, 932, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 GLN HN 84 LEU HN 5.50 (# 976:10 Unique 4.29, 4.46 A)
&rst
ixpk= 976, nxpk= 10, iat=1291,1272, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 THR HA 111 LEU HN 5.50 (# 978:10 Unique 4.70, 4.81 A)
&rst
ixpk= 978, nxpk= 10, iat=1855,1688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ILE HA 111 LEU HN 5.50 (# 979:10 Unique 4.55, 4.76 A)
&rst
ixpk= 979, nxpk= 10, iat=1238,1688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 LEU HB+ 83 HIS HN 5.50 (# 980:10 Unique 3.05, 4.22 A)
&rst
ixpk= 980, nxpk= 10, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1692,1693,
&end
#
# 32 THR HN 31 ALA HN 3.50 (# 981:10 Unique 2.70, 2.76 A)
&rst
ixpk= 981, nxpk= 10, iat= 477, 467, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 ARG HD+ 31 ALA HN 6.50 (# 982:10 Unique 5.00, 5.80 A)
&rst
ixpk= 982, nxpk= 10, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 453, 454,
&end
#
# 0 AMB 10-2:984 31 ALA HN 4.50 (# 984:10 Single Ambig)
&rst
ixpk= 984, nxpk= 10, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 406, 407, 408,1517,1518,
&end
#
# 81 SER HN 82 ILE HN 4.50 (# 985:10 Unique 4.20, 4.34 A)
&rst
ixpk= 985, nxpk= 10, iat=1225,1236, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 SER HN 126 CYS HN 5.50 (# 986:10 Unique 4.38, 4.45 A)
&rst
ixpk= 986, nxpk= 10, iat=1913,1902, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 PHE HE 126 CYS HN 6.50 (# 987:10 Unique 5.13, 5.84 A)
&rst
ixpk= 987, nxpk= 10, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1648,1652,
&end
#
# 108 PHE HD 126 CYS HN 5.50 (# 988:10 Unique 4.26, 5.19 A)
&rst
ixpk= 988, nxpk= 10, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1646,1654,
&end
#
# 0 AMB 10-2:990 98 VAL HN 5.50 (# 990:10 Single Ambig)
&rst
ixpk= 990, nxpk= 10, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1646,1654,1475,
&end
#
# 105 ILE HA 98 VAL HN 5.50 (# 991:10 Unique 4.69, 4.85 A)
&rst
ixpk= 991, nxpk= 10, iat=1593,1491, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 THR HA 98 VAL HN 6.50 (# 992:10 Unique 4.53, 4.76 A)
&rst
ixpk= 992, nxpk= 10, iat=1612,1491, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 105 ILE QG2 98 VAL HN 5.50 (# 994:10 Unique 3.76, 4.56 A)
&rst
ixpk= 994, nxpk= 10, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1597,1598,1599,
&end
#
# 47 TRP HN 46 ALA HN 5.50 (# 995:10 Unique 2.33, 4.35 A)
&rst
ixpk= 995, nxpk= 10, iat= 682, 672, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 TRP HA 46 ALA HN 6.50 (# 997:10 Unique 4.10, 4.97 A)
&rst
ixpk= 997, nxpk= 10, iat= 684, 672, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 43 SER HA 46 ALA HN 6.50 (# 998:10 Unique 4.59, 4.72 A)
&rst
ixpk= 998, nxpk= 10, iat= 640, 672, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 126 CYS HN 127 SER HN 5.50 (# 999:10 Unique 4.38, 4.45 A)
&rst
ixpk= 999, nxpk= 10, iat=1902,1913, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 LEU MDY 127 SER HN 6.50 (# 1000:10 Unique 5.17, 6.41 A)
&rst
ixpk= 1000, nxpk= 10, iat= -1,1913, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1989,1990,1991,1993,1994,1995,
&end
#
# 50 MET HG+ 50 MET HN 4.50 (# 1001:10 Unique 3.05, 3.65 A)
&rst
ixpk= 1001, nxpk= 10, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 756, 757,
&end
#
# 138 ARG HN 137 ALA HN 4.50 (# 1002:10 Unique 3.18, 3.69 A)
&rst
ixpk= 1002, nxpk= 10, iat=2071,2061, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 136 LEU HB- 137 ALA HN 4.50 (# 1004:10 Unique 2.59, 3.68 A)
&rst
ixpk= 1004, nxpk= 10, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2046,2047,
&end
#
# 135 THR HN 134 GLN HN 4.50 (# 1005:10 Unique 3.94, 4.31 A)
&rst
ixpk= 1005, nxpk= 10, iat=2028,2011, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 133 ASP HN 134 GLN HN 4.50 (# 1006:10 Unique 4.50, 4.55 A)
&rst
ixpk= 1006, nxpk= 10, iat=1999,2011, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 LEU HA 134 GLN HN 5.50 (# 1007:10 Unique 4.49, 4.69 A)
&rst
ixpk= 1007, nxpk= 10, iat=1869,2011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 LEU HA 134 GLN HN 6.50 (# 1008:10 Unique 5.86, 6.30 A)
&rst
ixpk= 1008, nxpk= 10, iat=1982,2011, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 105 ILE HA 106 THR HN 3.50 (# 1010:10 Unique 2.22, 2.31 A)
&rst
ixpk= 1010, nxpk= 10, iat=1593,1610, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 ILE HA 106 THR HN 4.50 (# 1011:10 Unique 3.60, 3.86 A)
&rst
ixpk= 1011, nxpk= 10, iat=1509,1610, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1012 106 THR HN 4.50 (# 1012:10 Single Ambig)
&rst
ixpk= 1012, nxpk= 10, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1601,1602,1601,1602,
&end
#
# 12 ARG HN 13 ALA HN 3.50 (# 1013:10 Unique 2.72, 2.81 A)
&rst
ixpk= 1013, nxpk= 10, iat= 164, 188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 THR HN 17 ALA HN 3.50 (# 1014:10 Unique 2.57, 2.80 A)
&rst
ixpk= 1014, nxpk= 10, iat= 237, 251, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 GLU HB- 17 ALA HN 5.50 (# 1015:10 Unique 4.88, 5.28 A)
&rst
ixpk= 1015, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 226, 227,
&end
#
# 0 AMB 10-2:1016 17 ALA HN 5.50 (# 1016:10 Single Ambig)
&rst
ixpk= 1016, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 202, 203, 202, 203,2018,2019,
&end
#
# 112 MET ME 17 ALA HN 4.50 (# 1017:10 Unique 2.55, 3.98 A)
&rst
ixpk= 1017, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1718,1719,1720,
&end
#
# 80 LEU HN 78 GLU HN 5.50 (# 1018:10 Unique 3.31, 4.23 A)
&rst
ixpk= 1018, nxpk= 10, iat=1206,1176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG HD- 78 GLU HN 5.50 (# 1019:10 Unique 2.50, 4.81 A)
&rst
ixpk= 1019, nxpk= 10, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 174, 175,
&end
#
# 105 ILE HN 130 TRP HN 5.50 (# 1020:10 Unique 4.12, 4.33 A)
&rst
ixpk= 1020, nxpk= 10, iat=1591,1942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 ILE QG2 130 TRP HN 5.50 (# 1023:10 Unique 5.75, 6.39 A)
&rst
ixpk= 1023, nxpk= 10, iat= -1,1942, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1597,1598,1599,
&end
#
# 105 ILE HB 130 TRP HN 5.50 (# 1024:10 Unique 4.04, 4.64 A)
&rst
ixpk= 1024, nxpk= 10, iat=1595,1942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 ALA HN 112 MET HN 5.50 (# 1028:10 Unique 4.07, 4.32 A)
&rst
ixpk= 1028, nxpk= 10, iat=1724,1707, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 LEU HN 112 MET HN 4.50 (# 1029:10 Unique 4.42, 4.51 A)
&rst
ixpk= 1029, nxpk= 10, iat=1688,1707, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ASP HN 68 ALA HN 5.50 (# 1030:10 Unique 2.02, 2.52 A)
&rst
ixpk= 1030, nxpk= 10, iat=1027,1039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1032 68 ALA HN 4.50 (# 1032:10 Single Ambig)
&rst
ixpk= 1032, nxpk= 10, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1049,1059,
&end
#
# 8 VAL MGX 9 ALA HN 4.50 (# 1034:10 Unique 3.32, 4.70 A)
&rst
ixpk= 1034, nxpk= 10, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 0 AMB 10-2:1035 9 ALA HN 4.50 (# 1035:10 Single Ambig)
&rst
ixpk= 1035, nxpk= 10, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1195,1196, 63, 64,
&end
#
# 79 GLU HG- 9 ALA HN 5.50 (# 1036:10 Unique 2.64, 4.01 A)
&rst
ixpk= 1036, nxpk= 10, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1198,1199,
&end
#
# 8 VAL HN 9 ALA HN 3.50 (# 1037:10 Unique 2.12, 2.77 A)
&rst
ixpk= 1037, nxpk= 10, iat= 110, 126, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 106 THR MG2 105 ILE HN 6.50 (# 1039:10 Unique 6.15, 7.20 A)
&rst
ixpk= 1039, nxpk= 10, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1=1616,1617,1618,
&end
#
# 0 AMB 10-2:1041 8 VAL HN 6.50 (# 1041:10 Single Ambig)
&rst
ixpk= 1041, nxpk= 10, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 154,1736,
&end
#
# 7 ASP HB- 8 VAL HN 4.50 (# 1042:10 Unique 2.02, 4.13 A)
&rst
ixpk= 1042, nxpk= 10, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 102, 103,
&end
#
# 9 ALA MB 8 VAL HN 5.50 (# 1043:10 Unique 4.02, 5.36 A)
&rst
ixpk= 1043, nxpk= 10, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 130, 131, 132,
&end
#
# 0 AMB 10-2:1044 100 LEU HN 6.50 (# 1044:10 Single Ambig)
&rst
ixpk= 1044, nxpk= 10, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 414, 546, 547,
&end
#
# 37 PRO HB- 100 LEU HN 6.50 (# 1045:10 Unique 4.27, 5.45 A)
&rst
ixpk= 1045, nxpk= 10, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 552, 553,
&end
#
# 0 AMB 10-2:1046 100 LEU HN 5.50 (# 1046:10 Single Ambig)
&rst
ixpk= 1046, nxpk= 10, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1601,1602,1601,1602,
&end
#
# 42 PHE HD 96 GLN HN 5.50 (# 1047:10 Unique 3.30, 5.76 A)
&rst
ixpk= 1047, nxpk= 10, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 626, 634,
&end
#
# 41 HIS HB+ 96 GLN HN 5.50 (# 1048:10 Unique 3.60, 4.51 A)
&rst
ixpk= 1048, nxpk= 10, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 605, 606,
&end
#
# 117 THR HN 119 GLU HN 4.50 (# 1049:10 Unique 3.68, 3.87 A)
&rst
ixpk= 1049, nxpk= 10, iat=1765,1786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 ALA HN 23 ALA HN 6.50 (# 1050:10 Unique 5.96, 6.03 A)
&rst
ixpk= 1050, nxpk= 10, iat= 402, 339, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 25 GLU HN 23 ALA HN 5.50 (# 1051:10 Unique 4.03, 4.13 A)
&rst
ixpk= 1051, nxpk= 10, iat= 368, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ALA HN 23 ALA HN 2.80 (# 1052:10 Unique 2.75, 2.78 A)
&rst
ixpk= 1052, nxpk= 10, iat= 329, 339, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:1053 23 ALA HN 5.50 (# 1053:10 Single Ambig)
&rst
ixpk= 1053, nxpk= 10, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1153, 303, 311,
&end
#
# 76 TRP HH2 23 ALA HN 5.50 (# 1054:10 Unique 3.55, 4.58 A)
&rst
ixpk= 1054, nxpk= 10, iat=1155, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 TRP HZ3 23 ALA HN 6.50 (# 1055:10 Unique 4.77, 5.89 A)
&rst
ixpk= 1055, nxpk= 10, iat=1157, 339, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 0 AMB 10-2:1056 23 ALA HN 5.50 (# 1056:10 Single Ambig)
&rst
ixpk= 1056, nxpk= 10, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 387, 388, 353, 354,
&end
#
# 16 THR HN 18 ALA HN 5.50 (# 1057:10 Unique 4.15, 4.42 A)
&rst
ixpk= 1057, nxpk= 10, iat= 237, 261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1058 69 ALA HN 4.50 (# 1058:10 Single Ambig)
&rst
ixpk= 1058, nxpk= 10, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 997,1029,
&end
#
# 0 AMB 10-2:1059 18 ALA HN 4.50 (# 1059:10 Single Ambig)
&rst
ixpk= 1059, nxpk= 10, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 224, 239,
&end
#
# 14 ARG HA 18 ALA HN 4.50 (# 1060:10 Unique 3.86, 4.16 A)
&rst
ixpk= 1060, nxpk= 10, iat= 200, 261, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1061 18 ALA HN 4.50 (# 1061:10 Single Ambig)
&rst
ixpk= 1061, nxpk= 10, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 275, 276, 226, 227,
&end
#
# 32 THR HN 33 LEU HN 2.80 (# 1064:10 Unique 2.46, 2.56 A)
&rst
ixpk= 1064, nxpk= 10, iat= 477, 491, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 31 ALA HN 33 LEU HN 4.50 (# 1065:10 Unique 3.99, 4.07 A)
&rst
ixpk= 1065, nxpk= 10, iat= 467, 491, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 GLY HN 36 GLN HN 2.80 (# 1067:10 Unique 2.55, 2.76 A)
&rst
ixpk= 1067, nxpk= 10, iat= 521, 528, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 30 ARG HA 33 LEU HN 3.50 (# 1068:10 Unique 3.15, 3.34 A)
&rst
ixpk= 1068, nxpk= 10, iat= 445, 491, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1069 36 GLN HN 5.50 (# 1069:10 Single Ambig)
&rst
ixpk= 1069, nxpk= 10, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 783, 784, 546, 547,
&end
#
# 0 AMB 10-2:1070 36 GLN HN 6.50 (# 1070:10 Single Ambig)
&rst
ixpk= 1070, nxpk= 10, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1= 565, 566, 567, 569, 570, 571, 772, 773, 774, 776,
777, 778,
&end
#
# 110 LEU HN 125 VAL HN 5.50 (# 1071:10 Unique 4.72, 4.83 A)
&rst
ixpk= 1071, nxpk= 10, iat=1669,1886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 ASP HN 125 VAL HN 4.50 (# 1072:10 Unique 2.61, 2.69 A)
&rst
ixpk= 1072, nxpk= 10, iat=1999,1886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1073 125 VAL HN 5.50 (# 1073:10 Single Ambig)
&rst
ixpk= 1073, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1660,1904,
&end
#
# 132 LEU HA 125 VAL HN 5.50 (# 1074:10 Unique 3.92, 4.48 A)
&rst
ixpk= 1074, nxpk= 10, iat=1982,1886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1075 125 VAL HN 5.50 (# 1075:10 Single Ambig)
&rst
ixpk= 1075, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2015,2016,2018,2019,1906,1907,
&end
#
# 132 LEU HB- 125 VAL HN 5.50 (# 1076:10 Unique 2.56, 3.80 A)
&rst
ixpk= 1076, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1984,1985,
&end
#
# 132 LEU MDX 125 VAL HN 4.50 (# 1077:10 Unique 2.77, 5.11 A)
&rst
ixpk= 1077, nxpk= 10, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1989,1990,1991,1993,1994,1995,
&end
#
# 59 TRP HA 60 ARG HN 3.50 (# 1078:10 Unique 2.12, 2.36 A)
&rst
ixpk= 1078, nxpk= 10, iat= 876, 898, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 TRP HB- 60 ARG HN 4.50 (# 1079:10 Unique 2.60, 4.18 A)
&rst
ixpk= 1079, nxpk= 10, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 878, 879,
&end
#
# 47 TRP HN 74 ASN HN 4.50 (# 1081:10 Unique 2.31, 2.83 A)
&rst
ixpk= 1081, nxpk= 10, iat= 682,1114, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 ARG HA 74 ASN HN 5.50 (# 1083:10 Unique 3.55, 4.03 A)
&rst
ixpk= 1083, nxpk= 10, iat= 708,1114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ALA HN 15 GLU HN 5.50 (# 1086:10 Unique 4.06, 4.15 A)
&rst
ixpk= 1086, nxpk= 10, iat= 251, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ALA HN 15 GLU HN 4.50 (# 1087:10 Unique 4.03, 4.15 A)
&rst
ixpk= 1087, nxpk= 10, iat= 188, 222, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 ALA HN 15 GLU HN 5.50 (# 1088:10 Unique 4.71, 4.83 A)
&rst
ixpk= 1088, nxpk= 10, iat= 261, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 THR HB 15 GLU HN 5.50 (# 1089:10 Unique 4.68, 4.86 A)
&rst
ixpk= 1089, nxpk= 10, iat= 241, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1090 15 GLU HN 4.50 (# 1090:10 Single Ambig)
&rst
ixpk= 1090, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 208, 209, 208, 209,
&end
#
# 132 LEU HG 133 ASP HN 5.50 (# 1091:10 Unique 2.65, 3.29 A)
&rst
ixpk= 1091, nxpk= 10, iat=1987,1999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1092 133 ASP HN 4.50 (# 1092:10 Single Ambig)
&rst
ixpk= 1092, nxpk= 10, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1906,1907,2018,2019,2015,2016,
&end
#
# 67 ASP HB- 67 ASP HN 3.50 (# 1093:10 Unique 2.37, 2.91 A)
&rst
ixpk= 1093, nxpk= 10, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1031,1032,
&end
#
# 125 VAL HA 133 ASP HN 4.50 (# 1094:10 Unique 4.53, 4.60 A)
&rst
ixpk= 1094, nxpk= 10, iat=1888,1999, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 132 LEU HN 133 ASP HN 4.50 (# 1095:10 Unique 4.28, 4.47 A)
&rst
ixpk= 1095, nxpk= 10, iat=1980,1999, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 GLN HN 133 ASP HN 4.50 (# 1096:10 Unique 4.50, 4.55 A)
&rst
ixpk= 1096, nxpk= 10, iat=2011,1999, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 125 VAL HN 133 ASP HN 3.50 (# 1097:10 Unique 2.61, 2.69 A)
&rst
ixpk= 1097, nxpk= 10, iat=1886,1999, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 123 THR HN 122 LEU HN 4.50 (# 1099:10 Unique 4.30, 4.39 A)
&rst
ixpk= 1099, nxpk= 10, iat=1853,1834, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 THR HA 122 LEU HN 5.50 (# 1100:10 Unique 4.77, 4.89 A)
&rst
ixpk= 1100, nxpk= 10, iat=1855,1834, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1103 19 ARG HN 4.50 (# 1103:10 Single Ambig)
&rst
ixpk= 1103, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 281, 282, 281, 282,
&end
#
# 0 AMB 10-2:1106 25 GLU HN 4.50 (# 1106:10 Single Ambig)
&rst
ixpk= 1106, nxpk= 10, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 375, 376, 422, 423,
&end
#
# 130 TRP HZ3 25 GLU HN 5.50 (# 1107:10 Unique 2.66, 2.94 A)
&rst
ixpk= 1107, nxpk= 10, iat=1959, 368, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 TRP HH2 25 GLU HN 5.50 (# 1108:10 Unique 3.34, 3.41 A)
&rst
ixpk= 1108, nxpk= 10, iat=1957, 368, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ALA HN 19 ARG HN 4.50 (# 1109:10 Unique 4.00, 4.16 A)
&rst
ixpk= 1109, nxpk= 10, iat= 251, 271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 GLN HE2+ 19 ARG HN 6.50 (# 1110:10 Unique 6.59, 7.42 A)
&rst
ixpk= 1110, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=2023,2024,
&end
#
# 17 ALA HA 19 ARG HN 4.50 (# 1111:10 Unique 4.41, 4.51 A)
&rst
ixpk= 1111, nxpk= 10, iat= 253, 271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 PHE HB+ 19 ARG HN 5.50 (# 1113:10 Unique 4.65, 5.12 A)
&rst
ixpk= 1113, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 299, 300,
&end
#
# 37 PRO HA 101 ALA HN 4.50 (# 1114:10 Unique 3.52, 3.97 A)
&rst
ixpk= 1114, nxpk= 10, iat= 555,1545, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 THR HA 101 ALA HN 6.50 (# 1115:10 Unique 4.83, 5.21 A)
&rst
ixpk= 1115, nxpk= 10, iat= 479,1545, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 37 PRO HB- 101 ALA HN 5.50 (# 1116:10 Unique 4.34, 5.58 A)
&rst
ixpk= 1116, nxpk= 10, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 552, 553,
&end
#
# 37 PRO HG+ 101 ALA HN 4.50 (# 1117:10 Unique 2.88, 4.75 A)
&rst
ixpk= 1117, nxpk= 10, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 549, 550,
&end
#
# 99 ILE QG2 101 ALA HN 5.50 (# 1118:10 Unique 4.96, 6.15 A)
&rst
ixpk= 1118, nxpk= 10, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1513,1514,1515,
&end
#
# 0 AMB 10-2:1120 12 ARG HN 5.50 (# 1120:10 Single Ambig)
&rst
ixpk= 1120, nxpk= 10, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 114,1180,1181,
&end
#
# 0 AMB 10-2:1121 12 ARG HN 4.50 (# 1121:10 Single Ambig)
&rst
ixpk= 1121, nxpk= 10, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 226, 227,1198,1199,1183,1184,
&end
#
# 13 ALA HN 12 ARG HN 3.50 (# 1123:10 Unique 2.72, 2.81 A)
&rst
ixpk= 1123, nxpk= 10, iat= 188, 164, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 HIS HN 40 ILE HN 5.50 (# 1124:10 Unique 4.18, 4.27 A)
&rst
ixpk= 1124, nxpk= 10, iat= 601, 582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1125 40 ILE HN 5.50 (# 1125:10 Single Ambig)
&rst
ixpk= 1125, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 628, 632, 889,
&end
#
# 95 PRO HB- 40 ILE HN 3.50 (# 1126:10 Unique 2.22, 2.79 A)
&rst
ixpk= 1126, nxpk= 10, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1451,1452,
&end
#
# 113 ALA HN 114 ASN HN 5.50 (# 1127:10 Unique 4.51, 4.55 A)
&rst
ixpk= 1127, nxpk= 10, iat=1724,1734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 LEU HN 114 ASN HN 4.50 (# 1128:10 Unique 3.51, 4.05 A)
&rst
ixpk= 1128, nxpk= 10, iat=1815,1734, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1129 114 ASN HN 4.50 (# 1129:10 Single Ambig)
&rst
ixpk= 1129, nxpk= 10, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1779,1758,
&end
#
# 114 ASN HD2- 114 ASN HN 4.50 (# 1130:10 Unique 4.61, 5.26 A)
&rst
ixpk= 1130, nxpk= 10, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1743,1744,
&end
#
# 117 THR HN 114 ASN HN 6.50 (# 1131:10 Unique 4.90, 5.16 A)
&rst
ixpk= 1131, nxpk= 10, iat=1765,1734, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 118 GLY HA+ 114 ASN HN 5.50 (# 1133:10 Unique 5.78,10.30 A)
&rst
ixpk= 1133, nxpk= 10, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1781,1782,
&end
#
# 41 HIS HD2 92 SER HN 5.50 (# 1134:10 Unique 2.44, 2.79 A)
&rst
ixpk= 1134, nxpk= 10, iat= 614,1402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 LEU HA 121 LEU HN 3.50 (# 1136:10 Unique 2.96, 3.00 A)
&rst
ixpk= 1136, nxpk= 10, iat=1817,1815, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 ASP HB+ 92 SER HN 4.50 (# 1137:10 Unique 3.94, 4.50 A)
&rst
ixpk= 1137, nxpk= 10, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1394,1395,
&end
#
# 102 ASP HN 104 GLN HN 4.50 (# 1138:10 Unique 3.32, 3.50 A)
&rst
ixpk= 1138, nxpk= 10, iat=1555,1574, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 TRP HD1 59 TRP HN 5.50 (# 1139:10 Unique 4.48, 4.69 A)
&rst
ixpk= 1139, nxpk= 10, iat= 882, 874, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 TRP HB- 59 TRP HN 4.50 (# 1141:10 Unique 2.18, 2.70 A)
&rst
ixpk= 1141, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 878, 879,
&end
#
# 99 ILE QG2 104 GLN HN 4.50 (# 1143:10 Unique 5.00, 5.63 A)
&rst
ixpk= 1143, nxpk= 10, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1513,1514,1515,
&end
#
# 27 ALA HA 30 ARG HN 3.50 (# 1144:10 Unique 3.23, 3.37 A)
&rst
ixpk= 1144, nxpk= 10, iat= 404, 443, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 LEU HA 28 ILE HN 5.50 (# 1145:10 Unique 3.95, 4.09 A)
&rst
ixpk= 1145, nxpk= 10, iat= 351, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ARG HD- 30 ARG HN 5.50 (# 1146:10 Unique 2.63, 4.51 A)
&rst
ixpk= 1146, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 453, 454,
&end
#
# 24 LEU HN 26 LEU HN 5.50 (# 1149:10 Unique 4.09, 4.16 A)
&rst
ixpk= 1149, nxpk= 10, iat= 349, 383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 TRP HH2 26 LEU HN 6.50 (# 1150:10 Unique 5.48, 5.59 A)
&rst
ixpk= 1150, nxpk= 10, iat=1957, 383, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 22 ALA HA 26 LEU HN 4.50 (# 1151:10 Unique 3.91, 4.00 A)
&rst
ixpk= 1151, nxpk= 10, iat= 331, 383, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 LEU HA 26 LEU HN 3.50 (# 1152:10 Unique 2.81, 2.82 A)
&rst
ixpk= 1152, nxpk= 10, iat= 385, 383, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1154 26 LEU HN 5.50 (# 1154:10 Single Ambig)
&rst
ixpk= 1154, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 351, 317,
&end
#
# 0 AMB 10-2:1155 26 LEU HN 4.50 (# 1155:10 Single Ambig)
&rst
ixpk= 1155, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 333, 334, 335, 416, 343, 344, 345,
&end
#
# 85 GLN HB- 87 PHE HN 4.50 (# 1156:10 Unique 4.26, 5.11 A)
&rst
ixpk= 1156, nxpk= 10, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1295,1296,
&end
#
# 93 ASN HN 94 GLN HN 4.50 (# 1157:10 Unique 2.54, 2.64 A)
&rst
ixpk= 1157, nxpk= 10, iat=1413,1427, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 HIS HD2 94 GLN HN 5.50 (# 1158:10 Unique 2.76, 4.29 A)
&rst
ixpk= 1158, nxpk= 10, iat= 614,1427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 ASN HB+ 94 GLN HN 5.50 (# 1160:10 Unique 3.40, 4.14 A)
&rst
ixpk= 1160, nxpk= 10, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1417,1418,
&end
#
# 0 AMB 10-2:1161 94 GLN HN 3.50 (# 1161:10 Single Ambig)
&rst
ixpk= 1161, nxpk= 10, iat= -1,1427, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1431,1432,1431,1432,
&end
#
# 14 ARG HN 16 THR HN 5.50 (# 1162:10 Unique 4.11, 4.22 A)
&rst
ixpk= 1162, nxpk= 10, iat= 198, 237, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ALA HN 44 ASP HN 5.50 (# 1163:10 Unique 3.70, 4.20 A)
&rst
ixpk= 1163, nxpk= 10, iat= 672, 649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 LEU HA 79 GLU HN 6.50 (# 1164:10 Unique 4.48, 4.88 A)
&rst
ixpk= 1164, nxpk= 10, iat=1208,1191, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 9 ALA HA 79 GLU HN 5.50 (# 1165:10 Unique 3.77, 4.88 A)
&rst
ixpk= 1165, nxpk= 10, iat= 128,1191, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 GLU HG+ 79 GLU HN 4.50 (# 1167:10 Unique 2.36, 3.83 A)
&rst
ixpk= 1167, nxpk= 10, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1198,1199,
&end
#
# 79 GLU HB+ 79 GLU HN 3.50 (# 1168:10 Unique 2.33, 3.21 A)
&rst
ixpk= 1168, nxpk= 10, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1195,1196,
&end
#
# 0 AMB 10-2:1169 38 VAL HN 5.50 (# 1169:10 Single Ambig)
&rst
ixpk= 1169, nxpk= 10, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1545, 528, 510, 402,
&end
#
# 61 TRP HH2 38 VAL HN 5.50 (# 1170:10 Unique 3.63, 3.90 A)
&rst
ixpk= 1170, nxpk= 10, iat= 937, 559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 PRO HD- 38 VAL HN 6.50 (# 1171:10 Unique 4.86, 5.86 A)
&rst
ixpk= 1171, nxpk= 10, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 783, 784,
&end
#
# 0 AMB 10-2:1172 80 LEU HN 5.50 (# 1172:10 Single Ambig)
&rst
ixpk= 1172, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1180,1181,1180,1181,
&end
#
# 82 ILE QD1 80 LEU HN 5.50 (# 1173:10 Unique 5.35, 6.17 A)
&rst
ixpk= 1173, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1249,1250,1251,
&end
#
# 15 GLU HG+ 14 ARG HN 6.50 (# 1174:10 Unique 4.44, 5.91 A)
&rst
ixpk= 1174, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 229, 230,
&end
#
# 15 GLU HB- 14 ARG HN 4.50 (# 1175:10 Unique 4.59, 5.23 A)
&rst
ixpk= 1175, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 226, 227,
&end
#
# 0 AMB 10-2:1177 14 ARG HN 6.50 (# 1177:10 Single Ambig)
&rst
ixpk= 1177, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
igr1=1213,2049, 116, 117, 118, 120, 121, 122,
&end
#
# 130 TRP HE3 132 LEU HN 6.50 (# 1178:10 Unique 3.93, 4.69 A)
&rst
ixpk= 1178, nxpk= 10, iat=1961,1980, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 137 ALA HN 138 ARG HN 4.50 (# 1180:10 Unique 3.18, 3.69 A)
&rst
ixpk= 1180, nxpk= 10, iat=2061,2071, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1181 90 ASP HN 6.50 (# 1181:10 Single Ambig)
&rst
ixpk= 1181, nxpk= 10, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 649, 638,
&end
#
# 90 ASP HB- 90 ASP HN 6.50 (# 1182:10 Unique 2.57, 3.13 A)
&rst
ixpk= 1182, nxpk= 10, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1382,1383,
&end
#
# 0 AMB 10-2:1185 11 THR HN 5.50 (# 1185:10 Single Ambig)
&rst
ixpk= 1185, nxpk= 10, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 202, 203, 202, 203,
&end
#
# 0 AMB 10-2:1186 11 THR HN 5.50 (# 1186:10 Single Ambig)
&rst
ixpk= 1186, nxpk= 10, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 130, 131, 132, 192, 193, 194,
&end
#
# 53 GLY HN 62 VAL HN 5.50 (# 1187:10 Unique 4.45, 4.82 A)
&rst
ixpk= 1187, nxpk= 10, iat= 796, 946, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 TRP HN 62 VAL HN 5.50 (# 1188:10 Unique 4.37, 4.48 A)
&rst
ixpk= 1188, nxpk= 10, iat= 922, 946, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 PRO HD+ 62 VAL HN 5.50 (# 1189:10 Unique 4.47, 4.88 A)
&rst
ixpk= 1189, nxpk= 10, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 963, 964,
&end
#
# 62 VAL HB 62 VAL HN 5.50 (# 1190:10 Unique 2.41, 2.85 A)
&rst
ixpk= 1190, nxpk= 10, iat= 950, 946, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 MET HB- 62 VAL HN 5.50 (# 1191:10 Unique 3.37, 4.43 A)
&rst
ixpk= 1191, nxpk= 10, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 753, 754,
&end
#
# 62 VAL MGX 62 VAL HN 4.50 (# 1192:10 Unique 2.56, 4.17 A)
&rst
ixpk= 1192, nxpk= 10, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 952, 953, 954, 956, 957, 958,
&end
#
# 47 TRP HN 48 ARG HN 5.50 (# 1193:10 Unique 4.37, 4.48 A)
&rst
ixpk= 1193, nxpk= 10, iat= 682, 706, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1194 48 ARG HN 6.50 (# 1194:10 Single Ambig)
&rst
ixpk= 1194, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 628, 632,1155,
&end
#
# 0 AMB 10-2:1195 48 ARG HN 5.50 (# 1195:10 Single Ambig)
&rst
ixpk= 1195, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 620, 603,
&end
#
# 48 ARG HA 48 ARG HN 3.50 (# 1196:10 Unique 2.84, 2.94 A)
&rst
ixpk= 1196, nxpk= 10, iat= 708, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 TRP HB- 48 ARG HN 3.50 (# 1197:10 Unique 2.52, 3.39 A)
&rst
ixpk= 1197, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 686, 687,
&end
#
# 41 HIS HB- 48 ARG HN 6.50 (# 1198:10 Unique 2.35, 4.00 A)
&rst
ixpk= 1198, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 605, 606,
&end
#
# 0 AMB 10-2:1199 48 ARG HN 6.50 (# 1199:10 Single Ambig)
&rst
ixpk= 1199, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00,
igr1= 676, 677, 678,1451,1452,
&end
#
# 82 ILE HN 81 SER HN 4.50 (# 1200:10 Unique 4.20, 4.34 A)
&rst
ixpk= 1200, nxpk= 10, iat=1236,1225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 LEU HN 81 SER HN 4.50 (# 1201:10 Unique 4.42, 4.49 A)
&rst
ixpk= 1201, nxpk= 10, iat=1206,1225, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 ARG HN 47 TRP HN 5.50 (# 1202:10 Unique 4.37, 4.48 A)
&rst
ixpk= 1202, nxpk= 10, iat= 706, 682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 PHE HE 47 TRP HN 6.50 (# 1203:10 Unique 5.16, 7.52 A)
&rst
ixpk= 1203, nxpk= 10, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 628, 632,
&end
#
# 42 PHE HA 47 TRP HN 5.50 (# 1204:10 Unique 4.52, 4.92 A)
&rst
ixpk= 1204, nxpk= 10, iat= 620, 682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 TRP HB- 47 TRP HN 4.50 (# 1207:10 Unique 2.45, 3.45 A)
&rst
ixpk= 1207, nxpk= 10, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 686, 687,
&end
#
# 0 AMB 10-2:1208 47 TRP HN 4.50 (# 1208:10 Single Ambig)
&rst
ixpk= 1208, nxpk= 10, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1118,1119,1118,1119,
&end
#
# 113 ALA HA 114 ASN HD2- 6.50 (# 1209:10 Unique 6.69, 7.42 A)
&rst
ixpk= 1209, nxpk= 10, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1743,1744,
&end
#
# 87 PHE HN 88 LYS HN 5.50 (# 1211:10 Unique 3.49, 4.53 A)
&rst
ixpk= 1211, nxpk= 10, iat=1322,1342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 GLN HG- 88 LYS HN 5.50 (# 1212:10 Unique 3.71, 4.91 A)
&rst
ixpk= 1212, nxpk= 10, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1465,1466,
&end
#
# 73 GLN HA 72 SER HN 6.50 (# 1213:10 Unique 4.56, 5.28 A)
&rst
ixpk= 1213, nxpk= 10, iat=1099,1086, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 42 PHE HE 97 VAL HN 4.50 (# 1214:10 Unique 3.54, 6.14 A)
&rst
ixpk= 1214, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 628, 632,
&end
#
# 41 HIS HA 97 VAL HN 4.50 (# 1215:10 Unique 3.76, 3.99 A)
&rst
ixpk= 1215, nxpk= 10, iat= 603,1475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 GLN HG+ 97 VAL HN 5.50 (# 1217:10 Unique 3.81, 5.08 A)
&rst
ixpk= 1217, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1465,1466,
&end
#
# 94 GLN HG- 97 VAL HN 6.50 (# 1218:10 Unique 6.49, 7.58 A)
&rst
ixpk= 1218, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1434,1435,
&end
#
# 0 AMB 10-2:1219 97 VAL HN 5.50 (# 1219:10 Single Ambig)
&rst
ixpk= 1219, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 592, 593,1597,1598,1599,
&end
#
# 126 CYS HN 108 PHE HN 4.50 (# 1222:10 Unique 2.68, 2.91 A)
&rst
ixpk= 1222, nxpk= 10, iat=1902,1638, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 PHE HE 108 PHE HN 4.50 (# 1223:10 Unique 4.61, 5.42 A)
&rst
ixpk= 1223, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1648,1652,
&end
#
# 108 PHE HB+ 108 PHE HN 4.50 (# 1225:10 Unique 3.20, 3.72 A)
&rst
ixpk= 1225, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1642,1643,
&end
#
# 104 GLN HN 104 GLN HE2+ 5.50 (# 1226:10 Unique 2.76, 4.38 A)
&rst
ixpk= 1226, nxpk= 10, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1586,1587,
&end
#
# 104 GLN HA 104 GLN HE2+ 5.50 (# 1227:10 Unique 2.94, 5.35 A)
&rst
ixpk= 1227, nxpk= 10, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1586,1587,
&end
#
# 0 AMB 10-2:1229 104 GLN HE2- 6.50 (# 1229:10 Single Ambig)
&rst
ixpk= 1229, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
igr1=1935,1936,1935,1936,
igr2=1586,1587,
&end
#
# 104 GLN HA 104 GLN HE2- 5.50 (# 1230:10 Unique 2.94, 5.35 A)
&rst
ixpk= 1230, nxpk= 10, iat=1576, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1586,1587,
&end
#
# 62 VAL HN 51 VAL HN 3.50 (# 1232:10 Unique 2.64, 2.81 A)
&rst
ixpk= 1232, nxpk= 10, iat= 946, 766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1233 51 VAL HN 4.50 (# 1233:10 Single Ambig)
&rst
ixpk= 1233, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 749, 575,
&end
#
# 64 LEU HN 51 VAL HN 5.50 (# 1234:10 Unique 3.90, 4.20 A)
&rst
ixpk= 1234, nxpk= 10, iat= 976, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1236 51 VAL HN 6.50 (# 1236:10 Single Ambig)
&rst
ixpk= 1236, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 978, 792,
&end
#
# 51 VAL HB 51 VAL HN 5.50 (# 1237:10 Unique 2.49, 3.59 A)
&rst
ixpk= 1237, nxpk= 10, iat= 770, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 VAL MGX 51 VAL HN 4.50 (# 1238:10 Unique 3.10, 5.50 A)
&rst
ixpk= 1238, nxpk= 10, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 952, 953, 954, 956, 957, 958,
&end
#
# 100 LEU HN 102 ASP HN 5.50 (# 1239:10 Unique 4.81, 4.94 A)
&rst
ixpk= 1239, nxpk= 10, iat=1526,1555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 GLN HN 102 ASP HN 4.50 (# 1240:10 Unique 3.32, 3.50 A)
&rst
ixpk= 1240, nxpk= 10, iat=1574,1555, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 THR HA 102 ASP HN 6.50 (# 1241:10 Unique 5.75, 6.02 A)
&rst
ixpk= 1241, nxpk= 10, iat= 479,1555, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 0 AMB 10-2:1245 0 AMB 10-1:1245 3.50 (# 1245:10 Double Ambig)
&rst
ixpk= 1245, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 140, 141,1417,1418,
igr2= 145, 146,1422,1423,
&end
#
# 18 ALA HN 21 THR HN 5.50 (# 1248:10 Unique 4.64, 4.74 A)
&rst
ixpk= 1248, nxpk= 10, iat= 261, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ALA HN 21 THR HN 5.50 (# 1249:10 Unique 4.15, 4.22 A)
&rst
ixpk= 1249, nxpk= 10, iat= 339, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 ALA HA 21 THR HN 4.50 (# 1251:10 Unique 3.85, 3.94 A)
&rst
ixpk= 1251, nxpk= 10, iat= 253, 315, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1252 21 THR HN 5.50 (# 1252:10 Single Ambig)
&rst
ixpk= 1252, nxpk= 10, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 353, 354,2015,2016,
&end
#
# 0 AMB 10-2:1253 21 THR HN 4.50 (# 1253:10 Single Ambig)
&rst
ixpk= 1253, nxpk= 10, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 333, 334, 335,1973,1974, 356,
&end
#
# 0 AMB 10-2:1255 0 AMB 10-1:1255 3.50 (# 1255:10 Double Ambig)
&rst
ixpk= 1255, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1104,1105,1104,1105,
igr2=1109,1110,1109,1110,
&end
#
# 46 ALA MB 73 GLN HE2+ 5.50 (# 1256:10 Unique 5.88, 7.44 A)
&rst
ixpk= 1256, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 676, 677, 678,
igr2=1109,1110,
&end
#
# 108 PHE HN 109 SER HN 5.50 (# 1257:10 Unique 4.32, 4.39 A)
&rst
ixpk= 1257, nxpk= 10, iat=1638,1658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 PHE HE 109 SER HN 5.50 (# 1258:10 Unique 4.76, 6.26 A)
&rst
ixpk= 1258, nxpk= 10, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1648,1652,
&end
#
# 84 LEU HA 109 SER HN 5.50 (# 1259:10 Unique 4.48, 4.67 A)
&rst
ixpk= 1259, nxpk= 10, iat=1274,1658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 GLN HA 109 SER HN 6.50 (# 1260:10 Unique 4.69, 4.80 A)
&rst
ixpk= 1260, nxpk= 10, iat=1293,1658, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 107 PRO HA 129 SER HN 6.50 (# 1263:10 Unique 5.13, 5.72 A)
&rst
ixpk= 1263, nxpk= 10, iat=1634,1931, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 127 SER HB- 129 SER HN 6.50 (# 1264:10 Unique 3.83, 4.94 A)
&rst
ixpk= 1264, nxpk= 10, iat= -1,1931, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1917,1918,
&end
#
# 107 PRO HG- 129 SER HN 6.50 (# 1265:10 Unique 5.41, 6.92 A)
&rst
ixpk= 1265, nxpk= 10, iat= -1,1931, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1628,1629,
&end
#
# 105 ILE QG2 129 SER HN 5.50 (# 1266:10 Unique 5.77, 6.57 A)
&rst
ixpk= 1266, nxpk= 10, iat= -1,1931, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1597,1598,1599,
&end
#
# 36 GLN HB- 35 GLY HN 6.50 (# 1268:10 Unique 5.24, 5.70 A)
&rst
ixpk= 1268, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 532, 533,
&end
#
# 33 LEU HB+ 35 GLY HN 5.50 (# 1269:10 Unique 5.03, 5.42 A)
&rst
ixpk= 1269, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 495, 496,
&end
#
# 73 GLN HE2+ 65 GLN HE2- 5.50 (# 1271:10 Unique 3.63, 5.90 A)
&rst
ixpk= 1271, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1109,1110,
igr2=1007,1008,
&end
#
# 69 ALA HA 65 GLN HE2- 5.50 (# 1272:10 Unique 2.71, 8.50 A)
&rst
ixpk= 1272, nxpk= 10, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1007,1008,
&end
#
# 35 GLY HN 34 SER HN 3.50 (# 1273:10 Unique 2.60, 2.72 A)
&rst
ixpk= 1273, nxpk= 10, iat= 521, 510, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 114 ASN HN 118 GLY HN 4.50 (# 1276:10 Unique 4.20, 4.39 A)
&rst
ixpk= 1276, nxpk= 10, iat=1734,1779, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1277 118 GLY HN 5.50 (# 1277:10 Single Ambig)
&rst
ixpk= 1277, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1793,1794,1793,1794,
&end
#
# 0 AMB 10-2:1278 85 GLN HE2- 6.50 (# 1278:10 Single Ambig)
&rst
ixpk= 1278, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1660,1690,
igr2=1303,1304,
&end
#
# 59 TRP HA 36 GLN HE2- 5.50 (# 1279:10 Unique 2.60, 4.44 A)
&rst
ixpk= 1279, nxpk= 10, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 540, 541,
&end
#
# 85 GLN HA 85 GLN HE2- 5.50 (# 1280:10 Unique 4.15, 4.85 A)
&rst
ixpk= 1280, nxpk= 10, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1303,1304,
&end
#
# 0 AMB 10-2:1281 85 GLN HE2- 6.50 (# 1281:10 Single Ambig)
&rst
ixpk= 1281, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
igr1=1662,1663,1662,1663,
igr2=1303,1304,
&end
#
# 0 AMB 10-2:1282 0 AMB 10-1:1282 6.50 (# 1282:10 Double Ambig)
&rst
ixpk= 1282, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.04, r4=11.54,
igr1=1371,1372, 846, 847,1805,1806,
igr2=1303,1304, 540, 541,
&end
#
# 105 ILE QG2 128 GLY HN 5.50 (# 1283:10 Unique 5.43, 6.40 A)
&rst
ixpk= 1283, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1597,1598,1599,
&end
#
# 43 SER HA 45 SER HN 5.50 (# 1285:10 Unique 4.02, 4.31 A)
&rst
ixpk= 1285, nxpk= 10, iat= 640, 661, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1288 0 AMB 10-1:1288 3.50 (# 1288:10 Double Ambig)
&rst
ixpk= 1288, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2018,2019,2015,2016,
igr2=2023,2024,2023,2024,
&end
#
# 0 AMB 10-2:1289 134 GLN HE2- 3.50 (# 1289:10 Single Ambig)
&rst
ixpk= 1289, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2018,2019,2015,2016,
igr2=2023,2024,
&end
#
# 134 GLN HB+ 134 GLN HE2- 4.50 (# 1290:10 Unique 2.40, 3.97 A)
&rst
ixpk= 1290, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2015,2016,
igr2=2023,2024,
&end
#
# 134 GLN HB+ 134 GLN HE2+ 4.50 (# 1291:10 Unique 2.40, 3.97 A)
&rst
ixpk= 1291, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2015,2016,
igr2=2023,2024,
&end
#
# 122 LEU HB- 134 GLN HE2+ 4.50 (# 1292:10 Unique 4.93, 6.06 A)
&rst
ixpk= 1292, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1838,1839,
igr2=2023,2024,
&end
#
# 0 AMB 10-2:1293 0 AMB 10-1:1293 4.50 (# 1293:10 Double Ambig)
&rst
ixpk= 1293, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 255, 256, 257,1841,
igr2=2023,2024,2023,2024,
&end
#
# 0 AMB 10-2:1294 134 GLN HE2- 4.50 (# 1294:10 Single Ambig)
&rst
ixpk= 1294, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 255, 256, 257,1841,
igr2=2023,2024,
&end
#
# 122 LEU HB- 134 GLN HE2- 5.50 (# 1295:10 Unique 4.93, 6.06 A)
&rst
ixpk= 1295, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1838,1839,
igr2=2023,2024,
&end
#
# 122 LEU MDX 134 GLN HE2+ 4.50 (# 1296:10 Unique 1.86, 4.05 A)
&rst
ixpk= 1296, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1843,1844,1845,1847,1848,1849,
igr2=2023,2024,
&end
#
# 124 LEU MDX 134 GLN HE2+ 4.50 (# 1297:10 Unique 2.77, 5.72 A)
&rst
ixpk= 1297, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1876,1877,1878,1880,1881,1882,
igr2=2023,2024,
&end
#
# 122 LEU MDX 134 GLN HE2- 4.50 (# 1298:10 Unique 1.86, 4.05 A)
&rst
ixpk= 1298, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1843,1844,1845,1847,1848,1849,
igr2=2023,2024,
&end
#
# 124 LEU MDX 134 GLN HE2- 5.50 (# 1299:10 Unique 2.77, 5.72 A)
&rst
ixpk= 1299, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1876,1877,1878,1880,1881,1882,
igr2=2023,2024,
&end
#
# 114 ASN HN 117 THR HN 5.50 (# 1300:10 Unique 4.90, 5.16 A)
&rst
ixpk= 1300, nxpk= 10, iat=1734,1765, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 ASN HD2+ 117 THR HN 5.50 (# 1301:10 Unique 3.04, 3.98 A)
&rst
ixpk= 1301, nxpk= 10, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1743,1744,
&end
#
# 7 ASP HB- 7 ASP HN 4.50 (# 1304:10 Unique 2.02, 2.76 A)
&rst
ixpk= 1304, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 102, 103,
&end
#
# 0 AMB 10-2:1312 84 LEU HN 6.50 (# 1312:10 Single Ambig)
&rst
ixpk= 1312, nxpk= 10, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1298,1299,1298,1299,
&end
#
# 89 PRO HB+ 84 LEU HN 6.50 (# 1313:10 Unique 1.92, 3.24 A)
&rst
ixpk= 1313, nxpk= 10, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1371,1372,
&end
#
# 112 MET HN 111 LEU HN 5.50 (# 1315:10 Unique 4.42, 4.51 A)
&rst
ixpk= 1315, nxpk= 10, iat=1707,1688, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 128 GLY HN 127 SER HN 4.50 (# 1318:10 Unique 2.38, 2.58 A)
&rst
ixpk= 1318, nxpk= 10, iat=1924,1913, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 129 SER HN 127 SER HN 5.50 (# 1319:10 Unique 3.17, 3.31 A)
&rst
ixpk= 1319, nxpk= 10, iat=1931,1913, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 CYS HA 127 SER HN 3.50 (# 1320:10 Unique 2.11, 2.14 A)
&rst
ixpk= 1320, nxpk= 10, iat=1904,1913, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 127 SER HA 127 SER HN 3.50 (# 1322:10 Unique 2.94, 2.96 A)
&rst
ixpk= 1322, nxpk= 10, iat=1915,1913, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 127 SER HB- 127 SER HN 4.50 (# 1325:10 Unique 2.55, 3.20 A)
&rst
ixpk= 1325, nxpk= 10, iat= -1,1913, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1917,1918,
&end
#
# 127 SER HB+ 127 SER HN 4.50 (# 1326:10 Unique 2.55, 3.20 A)
&rst
ixpk= 1326, nxpk= 10, iat= -1,1913, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1917,1918,
&end
#
# 126 CYS HB- 127 SER HN 5.50 (# 1327:10 Unique 2.73, 4.24 A)
&rst
ixpk= 1327, nxpk= 10, iat= -1,1913, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1906,1907,
&end
#
# 126 CYS HB+ 127 SER HN 5.50 (# 1328:10 Unique 2.73, 4.24 A)
&rst
ixpk= 1328, nxpk= 10, iat= -1,1913, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1906,1907,
&end
#
# 132 LEU HG 127 SER HN 6.50 (# 1329:10 Unique 4.05, 4.51 A)
&rst
ixpk= 1329, nxpk= 10, iat=1987,1913, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 84 LEU MDX 110 LEU HN 5.50 (# 1331:10 Unique 4.04, 6.48 A)
&rst
ixpk= 1331, nxpk= 10, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1281,1282,1283,1285,1286,1287,
&end
#
# 0 AMB 10-2:1332 110 LEU HN 4.50 (# 1332:10 Single Ambig)
&rst
ixpk= 1332, nxpk= 10, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1678,1679,1680,1682,1683,1684,1678,1679,1680,1682,
1683,1684,
&end
#
# 125 VAL MGY 110 LEU HN 4.50 (# 1333:10 Unique 3.38, 5.47 A)
&rst
ixpk= 1333, nxpk= 10, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1892,1893,1894,1896,1897,1898,
&end
#
# 123 THR MG2 110 LEU HN 4.50 (# 1334:10 Unique 3.17, 4.34 A)
&rst
ixpk= 1334, nxpk= 10, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1859,1860,1861,
&end
#
# 110 LEU HG 110 LEU HN 4.50 (# 1335:10 Unique 3.86, 4.04 A)
&rst
ixpk= 1335, nxpk= 10, iat=1676,1669, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 LEU HB+ 110 LEU HN 3.50 (# 1336:10 Unique 2.09, 2.84 A)
&rst
ixpk= 1336, nxpk= 10, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1673,1674,
&end
#
# 110 LEU HB- 110 LEU HN 3.50 (# 1338:10 Unique 2.09, 2.84 A)
&rst
ixpk= 1338, nxpk= 10, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1673,1674,
&end
#
# 0 AMB 10-2:1339 110 LEU HN 4.50 (# 1339:10 Single Ambig)
&rst
ixpk= 1339, nxpk= 10, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1871,1872,1692,1693,
&end
#
# 42 PHE HB- 42 PHE HN 5.50 (# 1340:10 Unique 2.37, 3.24 A)
&rst
ixpk= 1340, nxpk= 10, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 622, 623,
&end
#
# 0 AMB 10-2:1341 110 LEU HN 3.50 (# 1341:10 Single Ambig)
&rst
ixpk= 1341, nxpk= 10, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1662,1663,1662,1663,
&end
#
# 125 VAL HA 110 LEU HN 4.50 (# 1342:10 Unique 3.33, 3.52 A)
&rst
ixpk= 1342, nxpk= 10, iat=1888,1669, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 109 SER HA 110 LEU HN 2.80 (# 1344:10 Unique 2.06, 2.13 A)
&rst
ixpk= 1344, nxpk= 10, iat=1660,1669, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 123 THR HA 110 LEU HN 5.50 (# 1345:10 Unique 4.53, 4.77 A)
&rst
ixpk= 1345, nxpk= 10, iat=1855,1669, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 PHE HE 110 LEU HN 4.50 (# 1346:10 Unique 3.81, 5.89 A)
&rst
ixpk= 1346, nxpk= 10, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1648,1652,
&end
#
# 108 PHE HD 110 LEU HN 4.50 (# 1347:10 Unique 3.22, 5.54 A)
&rst
ixpk= 1347, nxpk= 10, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1646,1654,
&end
#
# 42 PHE HD 42 PHE HN 4.50 (# 1348:10 Unique 2.95, 4.30 A)
&rst
ixpk= 1348, nxpk= 10, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 626, 634,
&end
#
# 109 SER HN 110 LEU HN 4.50 (# 1349:10 Unique 4.02, 4.31 A)
&rst
ixpk= 1349, nxpk= 10, iat=1658,1669, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 LEU HN 110 LEU HN 4.50 (# 1350:10 Unique 2.87, 3.08 A)
&rst
ixpk= 1350, nxpk= 10, iat=1867,1669, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 ILE HG1+ 106 THR HN 5.50 (# 1351:10 Unique 4.41, 5.50 A)
&rst
ixpk= 1351, nxpk= 10, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1517,1518,
&end
#
# 0 AMB 10-2:1355 22 ALA HN 6.50 (# 1355:10 Single Ambig)
&rst
ixpk= 1355, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1= 358, 359, 360, 362, 363, 364,1876,1877,1878,1880,
1881,1882,
&end
#
# 21 THR MG2 22 ALA HN 4.50 (# 1356:10 Unique 3.81, 4.59 A)
&rst
ixpk= 1356, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 321, 322, 323,
&end
#
# 22 ALA MB 22 ALA HN 2.80 (# 1357:10 Unique 2.48, 2.87 A)
&rst
ixpk= 1357, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 333, 334, 335,
&end
#
# 0 AMB 10-2:1358 22 ALA HN 5.50 (# 1358:10 Single Ambig)
&rst
ixpk= 1358, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 353, 354, 387, 388, 375, 376,
&end
#
# 25 GLU HB+ 22 ALA HN 5.50 (# 1359:10 Unique 5.02, 5.38 A)
&rst
ixpk= 1359, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 372, 373,
&end
#
# 0 AMB 10-2:1360 22 ALA HN 4.50 (# 1360:10 Single Ambig)
&rst
ixpk= 1360, nxpk= 10, iat= -1, 329, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 317, 297,
&end
#
# 19 ARG HA 22 ALA HN 4.50 (# 1361:10 Unique 3.09, 3.37 A)
&rst
ixpk= 1361, nxpk= 10, iat= 273, 329, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 ALA HN 22 ALA HN 3.50 (# 1364:10 Unique 2.75, 2.78 A)
&rst
ixpk= 1364, nxpk= 10, iat= 339, 329, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 ALA HN 22 ALA HN 6.50 (# 1365:10 Unique 6.05, 6.18 A)
&rst
ixpk= 1365, nxpk= 10, iat= 261, 329, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 21 THR HN 22 ALA HN 3.50 (# 1366:10 Unique 2.86, 2.89 A)
&rst
ixpk= 1366, nxpk= 10, iat= 315, 329, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 113 ALA HA 119 GLU HN 5.50 (# 1368:10 Unique 4.39, 4.89 A)
&rst
ixpk= 1368, nxpk= 10, iat=1726,1786, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ALA HN 18 ALA HN 6.50 (# 1369:10 Unique 6.05, 6.18 A)
&rst
ixpk= 1369, nxpk= 10, iat= 329, 261, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 68 ALA HN 69 ALA HN 3.50 (# 1370:10 Unique 2.26, 2.73 A)
&rst
ixpk= 1370, nxpk= 10, iat=1039,1049, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1371 0 AMB 10-1:1371 6.50 (# 1371:10 Double Ambig)
&rst
ixpk= 1371, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.81, r4=12.31,
igr1=1876,1877,1878,1880,1881,1882,1876,1877,1878,1880,
1881,1882, 952, 953, 954, 956, 957, 958,
igr2= 261,1049,
&end
#
# 134 GLN HN 135 THR HN 4.50 (# 1375:10 Unique 3.94, 4.31 A)
&rst
ixpk= 1375, nxpk= 10, iat=2011,2028, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 ALA HN 67 ASP HN 4.50 (# 1376:10 Unique 2.02, 2.52 A)
&rst
ixpk= 1376, nxpk= 10, iat=1039,1027, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 LEU HN 25 GLU HN 3.50 (# 1377:10 Unique 2.55, 2.62 A)
&rst
ixpk= 1377, nxpk= 10, iat= 349, 368, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1379 122 LEU HN 5.50 (# 1379:10 Single Ambig)
&rst
ixpk= 1379, nxpk= 10, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
igr1=1215,1216,1217,1219,1220,1221,2049,1876,1877,1878,
1880,1881,1882,
&end
#
# 115 ALA MB 114 ASN HN 6.50 (# 1381:10 Unique 6.14, 6.91 A)
&rst
ixpk= 1381, nxpk= 10, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1=1752,1753,1754,
&end
#
# 121 LEU HB+ 114 ASN HN 5.50 (# 1382:10 Unique 2.52, 4.80 A)
&rst
ixpk= 1382, nxpk= 10, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1819,1820,
&end
#
# 0 AMB 10-2:1384 0 AMB 10-1:1384 5.50 (# 1384:10 Double Ambig)
&rst
ixpk= 1384, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1601,1602,1601,1602, 532, 533,
igr2=1574, 874,
&end
#
# 31 ALA HA 30 ARG HN 5.50 (# 1385:10 Unique 5.36, 5.39 A)
&rst
ixpk= 1385, nxpk= 10, iat= 469, 443, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ALA HN 26 LEU HN 5.50 (# 1387:10 Unique 4.70, 4.73 A)
&rst
ixpk= 1387, nxpk= 10, iat= 339, 383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 LEU HN 38 VAL HN 6.50 (# 1389:10 Unique 4.95, 5.14 A)
&rst
ixpk= 1389, nxpk= 10, iat=1526, 559, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 15 GLU HB+ 14 ARG HN 4.50 (# 1390:10 Unique 4.59, 5.23 A)
&rst
ixpk= 1390, nxpk= 10, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 226, 227,
&end
#
# 131 PRO HD- 132 LEU HN 6.50 (# 1392:10 Unique 2.94, 4.54 A)
&rst
ixpk= 1392, nxpk= 10, iat= -1,1980, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1967,1968,
&end
#
# 128 GLY HN 108 PHE HN 5.50 (# 1400:10 Unique 4.40, 4.98 A)
&rst
ixpk= 1400, nxpk= 10, iat=1924,1638, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 ASN HB- 93 ASN HD2+ 5.50 (# 1404:10 Unique 2.26, 3.20 A)
&rst
ixpk= 1404, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1417,1418,
igr2=1422,1423,
&end
#
# 93 ASN HB+ 93 ASN HD2+ 5.50 (# 1405:10 Unique 2.26, 3.20 A)
&rst
ixpk= 1405, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1417,1418,
igr2=1422,1423,
&end
#
# 0 AMB 10-2:1410 0 AMB 10-1:1410 4.50 (# 1410:10 Double Ambig)
&rst
ixpk= 1410, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 969, 970,1002,1003,
igr2=1007,1008,1007,1008,
&end
#
# 65 GLN HB+ 65 GLN HE2+ 5.50 (# 1411:10 Unique 2.38, 4.38 A)
&rst
ixpk= 1411, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 999,1000,
igr2=1007,1008,
&end
#
# 69 ALA HA 65 GLN HE2+ 5.50 (# 1413:10 Unique 2.71, 8.50 A)
&rst
ixpk= 1413, nxpk= 10, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1007,1008,
&end
#
# 61 TRP HE1 94 GLN HE2- 5.50 (# 1417:10 Unique 4.59, 5.19 A)
&rst
ixpk= 1417, nxpk= 10, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1439,1440,
&end
#
# 94 GLN HA 94 GLN HE2- 6.50 (# 1419:10 Unique 4.82, 5.52 A)
&rst
ixpk= 1419, nxpk= 10, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1439,1440,
&end
#
# 94 GLN HA 94 GLN HE2+ 5.50 (# 1420:10 Unique 4.82, 5.52 A)
&rst
ixpk= 1420, nxpk= 10, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1439,1440,
&end
#
# 94 GLN HG- 94 GLN HE2- 4.50 (# 1421:10 Unique 2.23, 3.37 A)
&rst
ixpk= 1421, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1434,1435,
igr2=1439,1440,
&end
#
# 94 GLN HG+ 94 GLN HE2- 4.50 (# 1422:10 Unique 2.23, 3.37 A)
&rst
ixpk= 1422, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1434,1435,
igr2=1439,1440,
&end
#
# 95 PRO HG+ 94 GLN HE2- 5.50 (# 1424:10 Unique 3.66, 5.41 A)
&rst
ixpk= 1424, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1448,1449,
igr2=1439,1440,
&end
#
# 61 TRP HE1 94 GLN HE2+ 5.50 (# 1425:10 Unique 4.59, 5.19 A)
&rst
ixpk= 1425, nxpk= 10, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1439,1440,
&end
#
# 34 SER HB+ 32 THR HN 6.50 (# 1427:10 Unique 5.03, 6.47 A)
&rst
ixpk= 1427, nxpk= 10, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 514, 515,
&end
#
# 30 ARG HB+ 32 THR HN 5.50 (# 1429:10 Unique 5.16, 5.70 A)
&rst
ixpk= 1429, nxpk= 10, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 447, 448,
&end
#
# 33 LEU HB- 32 THR HN 4.50 (# 1430:10 Unique 4.55, 5.38 A)
&rst
ixpk= 1430, nxpk= 10, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 495, 496,
&end
#
# 33 LEU HB+ 32 THR HN 5.50 (# 1431:10 Unique 4.55, 5.38 A)
&rst
ixpk= 1431, nxpk= 10, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 495, 496,
&end
#
# 113 ALA MB 118 GLY HN 5.50 (# 1435:10 Unique 4.08, 5.43 A)
&rst
ixpk= 1435, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1728,1729,1730,
&end
#
# 0 AMB 10-2:1436 0 AMB 10-1:1436 6.50 (# 1436:10 Double Ambig)
&rst
ixpk= 1436, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
igr1=1660,1690,
igr2=1303,1304,1303,1304,
&end
#
# 85 GLN HA 85 GLN HE2+ 5.50 (# 1437:10 Unique 4.15, 4.85 A)
&rst
ixpk= 1437, nxpk= 10, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1303,1304,
&end
#
# 0 AMB 10-2:1438 0 AMB 10-1:1438 5.50 (# 1438:10 Double Ambig)
&rst
ixpk= 1438, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1662,1663,1662,1663,
igr2=1303,1304,1303,1304,
&end
#
# 85 GLN HB+ 85 GLN HE2+ 5.50 (# 1440:10 Unique 2.01, 3.69 A)
&rst
ixpk= 1440, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1295,1296,
igr2=1303,1304,
&end
#
# 90 ASP HN 96 GLN HE2+ 4.50 (# 1442:10 Unique 2.07, 2.83 A)
&rst
ixpk= 1442, nxpk= 10, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1470,1471,
&end
#
# 127 SER HN 128 GLY HN 3.50 (# 1443:10 Unique 2.38, 2.58 A)
&rst
ixpk= 1443, nxpk= 10, iat=1913,1924, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 126 CYS HN 128 GLY HN 6.50 (# 1444:10 Unique 5.12, 5.35 A)
&rst
ixpk= 1444, nxpk= 10, iat=1902,1924, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 126 CYS HA 128 GLY HN 4.50 (# 1445:10 Unique 3.30, 3.59 A)
&rst
ixpk= 1445, nxpk= 10, iat=1904,1924, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 129 SER HA 128 GLY HN 5.50 (# 1446:10 Unique 4.63, 4.86 A)
&rst
ixpk= 1446, nxpk= 10, iat=1933,1924, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 PRO HA 128 GLY HN 4.50 (# 1449:10 Unique 2.75, 3.53 A)
&rst
ixpk= 1449, nxpk= 10, iat=1634,1924, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 SER HB- 128 GLY HN 4.50 (# 1450:10 Unique 4.03, 4.39 A)
&rst
ixpk= 1450, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1917,1918,
&end
#
# 0 AMB 10-2:1451 128 GLY HN 4.50 (# 1451:10 Single Ambig)
&rst
ixpk= 1451, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1917,1918,1935,1936,1935,1936,
&end
#
# 126 CYS HB- 128 GLY HN 4.50 (# 1452:10 Unique 2.54, 4.11 A)
&rst
ixpk= 1452, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1906,1907,
&end
#
# 107 PRO HG+ 128 GLY HN 5.50 (# 1453:10 Unique 3.39, 4.97 A)
&rst
ixpk= 1453, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1628,1629,
&end
#
# 107 PRO HB+ 128 GLY HN 5.50 (# 1454:10 Unique 2.64, 4.98 A)
&rst
ixpk= 1454, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1631,1632,
&end
#
# 107 PRO HB- 128 GLY HN 4.50 (# 1455:10 Unique 2.64, 4.98 A)
&rst
ixpk= 1455, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1631,1632,
&end
#
# 107 PRO HG- 128 GLY HN 5.50 (# 1456:10 Unique 3.39, 4.97 A)
&rst
ixpk= 1456, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1628,1629,
&end
#
# 105 ILE HB 128 GLY HN 5.50 (# 1457:10 Unique 3.91, 4.31 A)
&rst
ixpk= 1457, nxpk= 10, iat=1595,1924, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 ILE QD1 128 GLY HN 6.50 (# 1458:10 Unique 5.88, 7.54 A)
&rst
ixpk= 1458, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1=1604,1605,1606,
&end
#
# 129 SER HN 128 GLY HN 3.50 (# 1460:10 Unique 2.13, 2.36 A)
&rst
ixpk= 1460, nxpk= 10, iat=1931,1924, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 ALA HN 134 GLN HE2+ 5.50 (# 1461:10 Unique 4.56, 5.23 A)
&rst
ixpk= 1461, nxpk= 10, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2023,2024,
&end
#
# 17 ALA HN 134 GLN HE2- 6.50 (# 1462:10 Unique 4.56, 5.23 A)
&rst
ixpk= 1462, nxpk= 10, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=2023,2024,
&end
#
# 134 GLN HA 134 GLN HE2+ 5.50 (# 1463:10 Unique 3.91, 5.30 A)
&rst
ixpk= 1463, nxpk= 10, iat=2013, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2023,2024,
&end
#
# 18 ALA HA 134 GLN HE2- 5.50 (# 1465:10 Unique 4.52, 5.67 A)
&rst
ixpk= 1465, nxpk= 10, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2023,2024,
&end
#
# 14 ARG HA 134 GLN HE2+ 6.50 (# 1466:10 Unique 2.62, 3.48 A)
&rst
ixpk= 1466, nxpk= 10, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=2023,2024,
&end
#
# 121 LEU HG 10 ASN HN 5.50 (# 1471:10 Unique 3.14, 3.68 A)
&rst
ixpk= 1471, nxpk= 10, iat=1822, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1472 10 ASN HN 4.50 (# 1472:10 Single Ambig)
&rst
ixpk= 1472, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1824,1825,1826,1828,1829,1830,1824,1825,1826,1828,
1829,1830,
&end
#
# 0 AMB 10-2:1473 10 ASN HN 5.50 (# 1473:10 Single Ambig)
&rst
ixpk= 1473, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 116, 117, 118, 120, 121, 122,1213,
&end
#
# 9 ALA MB 10 ASN HN 3.50 (# 1474:10 Unique 2.24, 3.42 A)
&rst
ixpk= 1474, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 130, 131, 132,
&end
#
# 0 AMB 10-2:1475 10 ASN HN 6.50 (# 1475:10 Single Ambig)
&rst
ixpk= 1475, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 90, 91, 90, 91,
&end
#
# 10 ASN HB+ 10 ASN HN 2.80 (# 1476:10 Unique 2.31, 2.54 A)
&rst
ixpk= 1476, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 140, 141,
&end
#
# 10 ASN HB- 10 ASN HN 2.80 (# 1477:10 Unique 2.31, 2.54 A)
&rst
ixpk= 1477, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 140, 141,
&end
#
# 0 AMB 10-2:1478 10 ASN HN 4.50 (# 1478:10 Single Ambig)
&rst
ixpk= 1478, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 128, 112,
&end
#
# 10 ASN HA 10 ASN HN 3.50 (# 1479:10 Unique 2.75, 2.84 A)
&rst
ixpk= 1479, nxpk= 10, iat= 138, 136, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 ASN HD2+ 10 ASN HN 5.50 (# 1482:10 Unique 4.48, 5.21 A)
&rst
ixpk= 1482, nxpk= 10, iat= -1, 136, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 145, 146,
&end
#
# 12 ARG HN 10 ASN HN 5.50 (# 1483:10 Unique 4.05, 4.31 A)
&rst
ixpk= 1483, nxpk= 10, iat= 164, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 ALA HN 10 ASN HN 3.50 (# 1484:10 Unique 2.80, 3.03 A)
&rst
ixpk= 1484, nxpk= 10, iat= 126, 136, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 ALA HN 10 ASN HN 5.50 (# 1485:10 Unique 4.47, 4.61 A)
&rst
ixpk= 1485, nxpk= 10, iat= 188, 136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 GLU HA 6 GLU HN 5.50 (# 1486:10 Unique 2.23, 2.76 A)
&rst
ixpk= 1486, nxpk= 10, iat= 85, 83, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 VAL MGY 8 VAL HN 3.50 (# 1488:10 Unique 2.04, 3.87 A)
&rst
ixpk= 1488, nxpk= 10, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 5 ARG HG+ 9 ALA HN 5.50 (# 1489:10 Unique 3.42, 5.53 A)
&rst
ixpk= 1489, nxpk= 10, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 66, 67,
&end
#
# 10 ASN HN 9 ALA HN 3.50 (# 1490:10 Unique 2.80, 3.03 A)
&rst
ixpk= 1490, nxpk= 10, iat= 136, 126, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 114 ASN HA 10 ASN HN 6.50 (# 1491:10 Unique 5.55, 5.64 A)
&rst
ixpk= 1491, nxpk= 10, iat=1736, 136, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 0 AMB 10-2:1493 13 ALA HN 5.50 (# 1493:10 Single Ambig)
&rst
ixpk= 1493, nxpk= 10, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 154,1736,
&end
#
# 0 AMB 10-2:1494 16 THR HN 5.50 (# 1494:10 Single Ambig)
&rst
ixpk= 1494, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1215,1216,1217,1219,1220,1221,1843,1844,1845,1847,
1848,1849,
&end
#
# 80 LEU HG 16 THR HN 6.50 (# 1495:10 Unique 4.62, 5.87 A)
&rst
ixpk= 1495, nxpk= 10, iat=1213, 237, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 0 AMB 10-2:1496 16 THR HN 4.50 (# 1496:10 Single Ambig)
&rst
ixpk= 1496, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1718,1719,1720, 168, 169,
&end
#
# 0 AMB 10-2:1497 16 THR HN 4.50 (# 1497:10 Single Ambig)
&rst
ixpk= 1497, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 243, 244, 245, 265, 266, 267,
&end
#
# 15 GLU HB+ 16 THR HN 4.50 (# 1498:10 Unique 2.33, 3.00 A)
&rst
ixpk= 1498, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 226, 227,
&end
#
# 15 GLU HB- 16 THR HN 3.50 (# 1499:10 Unique 2.33, 3.00 A)
&rst
ixpk= 1499, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 226, 227,
&end
#
# 15 GLU HG+ 16 THR HN 5.50 (# 1500:10 Unique 3.39, 4.63 A)
&rst
ixpk= 1500, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 229, 230,
&end
#
# 0 AMB 10-2:1501 16 THR HN 3.50 (# 1501:10 Single Ambig)
&rst
ixpk= 1501, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 239, 224,
&end
#
# 16 THR HB 16 THR HN 3.50 (# 1502:10 Unique 2.30, 2.45 A)
&rst
ixpk= 1502, nxpk= 10, iat= 241, 237, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1503 16 THR HN 5.50 (# 1503:10 Single Ambig)
&rst
ixpk= 1503, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 261, 271,
&end
#
# 17 ALA HN 16 THR HN 3.50 (# 1504:10 Unique 2.57, 2.80 A)
&rst
ixpk= 1504, nxpk= 10, iat= 251, 237, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1505 16 THR HN 5.50 (# 1505:10 Single Ambig)
&rst
ixpk= 1505, nxpk= 10, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 202, 203, 202, 203,
&end
#
# 13 ALA HN 17 ALA HN 6.50 (# 1506:10 Unique 5.81, 5.89 A)
&rst
ixpk= 1506, nxpk= 10, iat= 188, 251, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 14 ARG HN 17 ALA HN 5.50 (# 1507:10 Unique 4.60, 4.69 A)
&rst
ixpk= 1507, nxpk= 10, iat= 198, 251, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ALA HA 17 ALA HN 4.50 (# 1508:10 Unique 3.73, 3.87 A)
&rst
ixpk= 1508, nxpk= 10, iat= 190, 251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1509 17 ALA HN 6.50 (# 1509:10 Single Ambig)
&rst
ixpk= 1509, nxpk= 10, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 226, 227,1714,1715,
&end
#
# 20 PHE HN 18 ALA HN 4.50 (# 1511:10 Unique 4.07, 4.33 A)
&rst
ixpk= 1511, nxpk= 10, iat= 295, 261, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1512 69 ALA HN 3.50 (# 1512:10 Single Ambig)
&rst
ixpk= 1512, nxpk= 10, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1043,1044,1045,1053,1054,1055,
&end
#
# 0 AMB 10-2:1514 69 ALA HN 5.50 (# 1514:10 Single Ambig)
&rst
ixpk= 1514, nxpk= 10, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1031,1032,1063,1064,
&end
#
# 67 ASP HB- 69 ALA HN 6.50 (# 1515:10 Unique 4.71, 5.55 A)
&rst
ixpk= 1515, nxpk= 10, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1031,1032,
&end
#
# 19 ARG HB+ 20 PHE HN 3.50 (# 1517:10 Unique 2.49, 3.19 A)
&rst
ixpk= 1517, nxpk= 10, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 275, 276,
&end
#
# 20 PHE HB- 20 PHE HN 3.50 (# 1519:10 Unique 2.29, 2.54 A)
&rst
ixpk= 1519, nxpk= 10, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 299, 300,
&end
#
# 0 AMB 10-2:1520 20 PHE HN 5.50 (# 1520:10 Single Ambig)
&rst
ixpk= 1520, nxpk= 10, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 333, 334, 335, 255, 256, 257,
&end
#
# 20 PHE HA 20 PHE HN 3.50 (# 1521:10 Unique 2.82, 2.84 A)
&rst
ixpk= 1521, nxpk= 10, iat= 297, 295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 ALA HA 20 PHE HN 4.50 (# 1522:10 Unique 3.35, 3.44 A)
&rst
ixpk= 1522, nxpk= 10, iat= 253, 295, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1523 20 PHE HN 4.50 (# 1523:10 Single Ambig)
&rst
ixpk= 1523, nxpk= 10, iat= -1, 295, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 273, 263,
&end
#
# 76 TRP HZ2 20 PHE HN 6.50 (# 1525:10 Unique 4.16, 5.46 A)
&rst
ixpk= 1525, nxpk= 10, iat=1153, 295, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 19 ARG HN 20 PHE HN 3.50 (# 1526:10 Unique 2.69, 2.82 A)
&rst
ixpk= 1526, nxpk= 10, iat= 271, 295, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 ARG HB+ 21 THR HN 5.50 (# 1527:10 Unique 5.05, 5.53 A)
&rst
ixpk= 1527, nxpk= 10, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 275, 276,
&end
#
# 21 THR HB 22 ALA HN 3.50 (# 1528:10 Unique 2.64, 2.77 A)
&rst
ixpk= 1528, nxpk= 10, iat= 319, 329, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 ALA HA 22 ALA HN 3.50 (# 1529:10 Unique 2.85, 2.87 A)
&rst
ixpk= 1529, nxpk= 10, iat= 331, 329, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 GLU HN 24 LEU HN 3.50 (# 1530:10 Unique 2.55, 2.62 A)
&rst
ixpk= 1530, nxpk= 10, iat= 368, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 ALA HN 24 LEU HN 3.50 (# 1531:10 Unique 2.66, 2.70 A)
&rst
ixpk= 1531, nxpk= 10, iat= 339, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1532 24 LEU HN 3.50 (# 1532:10 Single Ambig)
&rst
ixpk= 1532, nxpk= 10, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 351, 317, 297,
&end
#
# 23 ALA HA 24 LEU HN 4.50 (# 1533:10 Unique 3.53, 3.55 A)
&rst
ixpk= 1533, nxpk= 10, iat= 341, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ALA HA 24 LEU HN 6.50 (# 1534:10 Unique 4.21, 4.29 A)
&rst
ixpk= 1534, nxpk= 10, iat= 331, 349, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 24 LEU MDX 24 LEU HN 4.50 (# 1535:10 Unique 4.49, 5.12 A)
&rst
ixpk= 1535, nxpk= 10, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 358, 359, 360, 362, 363, 364,
&end
#
# 0 AMB 10-2:1536 24 LEU HN 4.50 (# 1536:10 Single Ambig)
&rst
ixpk= 1536, nxpk= 10, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 358, 359, 360, 362, 363, 364,1989,1990,1991,1993,
1994,1995,
&end
#
# 24 LEU HB+ 24 LEU HN 3.50 (# 1537:10 Unique 2.35, 2.44 A)
&rst
ixpk= 1537, nxpk= 10, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 353, 354,
&end
#
# 24 LEU HB- 24 LEU HN 3.50 (# 1538:10 Unique 2.35, 2.44 A)
&rst
ixpk= 1538, nxpk= 10, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 353, 354,
&end
#
# 23 ALA MB 24 LEU HN 3.50 (# 1539:10 Unique 2.78, 3.60 A)
&rst
ixpk= 1539, nxpk= 10, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 343, 344, 345,
&end
#
# 25 GLU HB- 24 LEU HN 5.50 (# 1540:10 Unique 4.63, 4.92 A)
&rst
ixpk= 1540, nxpk= 10, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 372, 373,
&end
#
# 40 ILE QD1 24 LEU HN 6.50 (# 1541:10 Unique 4.14, 5.07 A)
&rst
ixpk= 1541, nxpk= 10, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 595, 596, 597,
&end
#
# 26 LEU HN 24 LEU HN 5.50 (# 1542:10 Unique 4.09, 4.16 A)
&rst
ixpk= 1542, nxpk= 10, iat= 383, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ALA HN 25 GLU HN 5.50 (# 1545:10 Unique 4.03, 4.13 A)
&rst
ixpk= 1545, nxpk= 10, iat= 339, 368, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1546 25 GLU HN 4.50 (# 1546:10 Single Ambig)
&rst
ixpk= 1546, nxpk= 10, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 406, 407, 408,1517,1518,
&end
#
# 26 LEU HN 27 ALA HN 3.50 (# 1547:10 Unique 2.84, 2.88 A)
&rst
ixpk= 1547, nxpk= 10, iat= 383, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 LEU HA 27 ALA HN 4.50 (# 1548:10 Unique 2.90, 3.05 A)
&rst
ixpk= 1548, nxpk= 10, iat= 351, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 ALA HA 27 ALA HN 3.50 (# 1549:10 Unique 2.84, 2.85 A)
&rst
ixpk= 1549, nxpk= 10, iat= 404, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 LEU HA 27 ALA HN 3.50 (# 1550:10 Unique 3.57, 3.58 A)
&rst
ixpk= 1550, nxpk= 10, iat= 385, 402, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 GLU HA 27 ALA HN 5.50 (# 1551:10 Unique 4.29, 4.41 A)
&rst
ixpk= 1551, nxpk= 10, iat= 370, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 ALA MB 27 ALA HN 3.50 (# 1552:10 Unique 2.44, 2.87 A)
&rst
ixpk= 1552, nxpk= 10, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 406, 407, 408,
&end
#
# 26 LEU HB+ 27 ALA HN 3.50 (# 1553:10 Unique 2.56, 3.37 A)
&rst
ixpk= 1553, nxpk= 10, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 387, 388,
&end
#
# 26 LEU HB- 27 ALA HN 3.50 (# 1554:10 Unique 2.56, 3.37 A)
&rst
ixpk= 1554, nxpk= 10, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 387, 388,
&end
#
# 26 LEU MDX 27 ALA HN 3.50 (# 1555:10 Unique 3.95, 4.98 A)
&rst
ixpk= 1555, nxpk= 10, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 392, 393, 394, 396, 397, 398,
&end
#
# 0 AMB 10-2:1557 27 ALA HN 4.50 (# 1557:10 Single Ambig)
&rst
ixpk= 1557, nxpk= 10, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 447, 448, 372, 373,
&end
#
# 24 LEU MDY 27 ALA HN 6.50 (# 1558:10 Unique 4.49, 6.57 A)
&rst
ixpk= 1558, nxpk= 10, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 358, 359, 360, 362, 363, 364,
&end
#
# 38 VAL MGX 27 ALA HN 5.50 (# 1559:10 Unique 4.72, 6.50 A)
&rst
ixpk= 1559, nxpk= 10, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 565, 566, 567, 569, 570, 571,
&end
#
# 0 AMB 10-2:1564 70 ASP HN 3.50 (# 1564:10 Single Ambig)
&rst
ixpk= 1564, nxpk= 10, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1051,1014,
&end
#
# 70 ASP HA 70 ASP HN 3.50 (# 1565:10 Unique 2.21, 2.64 A)
&rst
ixpk= 1565, nxpk= 10, iat=1061,1059, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 ASP HB+ 70 ASP HN 3.50 (# 1568:10 Unique 2.37, 3.09 A)
&rst
ixpk= 1568, nxpk= 10, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1063,1064,
&end
#
# 70 ASP HB- 70 ASP HN 3.50 (# 1569:10 Unique 2.37, 3.09 A)
&rst
ixpk= 1569, nxpk= 10, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1063,1064,
&end
#
# 69 ALA MB 70 ASP HN 3.50 (# 1570:10 Unique 2.03, 3.65 A)
&rst
ixpk= 1570, nxpk= 10, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1053,1054,1055,
&end
#
# 30 ARG HG+ 30 ARG HN 4.50 (# 1572:10 Unique 2.39, 3.75 A)
&rst
ixpk= 1572, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 450, 451,
&end
#
# 0 AMB 10-2:1573 30 ARG HN 4.50 (# 1573:10 Single Ambig)
&rst
ixpk= 1573, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 406, 407, 408, 983,1517,1518,
&end
#
# 0 AMB 10-2:1574 30 ARG HN 6.50 (# 1574:10 Single Ambig)
&rst
ixpk= 1574, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 425, 426, 427, 595, 596, 597,
&end
#
# 29 ASP HN 28 ILE HN 3.50 (# 1576:10 Unique 2.61, 2.72 A)
&rst
ixpk= 1576, nxpk= 10, iat= 431, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 ALA HN 28 ILE HN 5.50 (# 1577:10 Unique 4.52, 4.63 A)
&rst
ixpk= 1577, nxpk= 10, iat= 467, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1579 0 AMB 10-1:1579 4.50 (# 1579:10 Double Ambig)
&rst
ixpk= 1579, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 878, 879,1559,1560,
igr2= 874,1574,
&end
#
# 58 ALA MB 59 TRP HN 3.50 (# 1581:10 Unique 2.09, 3.48 A)
&rst
ixpk= 1581, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 868, 869, 870,
&end
#
# 114 ASN HD2+ 114 ASN HN 5.50 (# 1584:10 Unique 4.61, 5.26 A)
&rst
ixpk= 1584, nxpk= 10, iat= -1,1734, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1743,1744,
&end
#
# 122 LEU HB- 113 ALA HN 6.50 (# 1586:10 Unique 6.18, 6.97 A)
&rst
ixpk= 1586, nxpk= 10, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1838,1839,
&end
#
# 13 ALA MB 113 ALA HN 6.50 (# 1587:10 Unique 5.92, 6.79 A)
&rst
ixpk= 1587, nxpk= 10, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 192, 193, 194,
&end
#
# 116 GLY HA+ 117 THR HN 4.50 (# 1588:10 Unique 2.61, 6.62 A)
&rst
ixpk= 1588, nxpk= 10, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1760,1761,
&end
#
# 117 THR MG2 118 GLY HN 4.50 (# 1589:10 Unique 4.36, 4.96 A)
&rst
ixpk= 1589, nxpk= 10, iat= -1,1779, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1771,1772,1773,
&end
#
# 30 ARG HB- 30 ARG HN 2.80 (# 1590:10 Unique 2.29, 2.86 A)
&rst
ixpk= 1590, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 447, 448,
&end
#
# 29 ASP HB- 30 ARG HN 3.50 (# 1591:10 Unique 2.51, 3.23 A)
&rst
ixpk= 1591, nxpk= 10, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 435, 436,
&end
#
# 28 ILE QG2 29 ASP HN 5.50 (# 1592:10 Unique 3.43, 4.27 A)
&rst
ixpk= 1592, nxpk= 10, iat= -1, 431, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 418, 419, 420,
&end
#
# 0 AMB 10-2:1593 32 THR HN 4.50 (# 1593:10 Single Ambig)
&rst
ixpk= 1593, nxpk= 10, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 498, 422, 423,
&end
#
# 31 ALA MB 32 THR HN 3.50 (# 1594:10 Unique 2.54, 3.60 A)
&rst
ixpk= 1594, nxpk= 10, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 471, 472, 473,
&end
#
# 33 LEU HG 33 LEU HN 2.80 (# 1595:10 Unique 2.39, 2.51 A)
&rst
ixpk= 1595, nxpk= 10, iat= 498, 491, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 37 PRO HA 36 GLN HN 5.50 (# 1596:10 Unique 4.84, 5.00 A)
&rst
ixpk= 1596, nxpk= 10, iat= 555, 528, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 VAL MGY 38 VAL HN 3.50 (# 1598:10 Unique 2.39, 4.20 A)
&rst
ixpk= 1598, nxpk= 10, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 565, 566, 567, 569, 570, 571,
&end
#
# 40 ILE HN 39 GLY HN 6.50 (# 1599:10 Unique 4.45, 4.48 A)
&rst
ixpk= 1599, nxpk= 10, iat= 582, 575, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 98 VAL HA 39 GLY HN 5.50 (# 1605:10 Unique 4.77, 4.83 A)
&rst
ixpk= 1605, nxpk= 10, iat=1493, 575, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 PRO HD- 39 GLY HN 5.50 (# 1606:10 Unique 4.23, 5.36 A)
&rst
ixpk= 1606, nxpk= 10, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 783, 784,
&end
#
# 38 VAL HB 39 GLY HN 4.50 (# 1608:10 Unique 2.30, 3.87 A)
&rst
ixpk= 1608, nxpk= 10, iat= 563, 575, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 VAL MGY 39 GLY HN 3.50 (# 1609:10 Unique 2.29, 3.82 A)
&rst
ixpk= 1609, nxpk= 10, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 565, 566, 567, 569, 570, 571,
&end
#
# 38 VAL MGX 39 GLY HN 3.50 (# 1610:10 Unique 2.29, 3.82 A)
&rst
ixpk= 1610, nxpk= 10, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 565, 566, 567, 569, 570, 571,
&end
#
# 0 AMB 10-2:1611 39 GLY HN 4.50 (# 1611:10 Single Ambig)
&rst
ixpk= 1611, nxpk= 10, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 736, 737, 738, 592, 593,
&end
#
# 40 ILE QG2 41 HIS HN 3.50 (# 1612:10 Unique 2.60, 3.41 A)
&rst
ixpk= 1612, nxpk= 10, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 588, 589, 590,
&end
#
# 40 ILE QD1 41 HIS HN 5.50 (# 1614:10 Unique 5.57, 6.20 A)
&rst
ixpk= 1614, nxpk= 10, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 595, 596, 597,
&end
#
# 95 PRO HB- 41 HIS HN 5.50 (# 1615:10 Unique 3.41, 4.14 A)
&rst
ixpk= 1615, nxpk= 10, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1451,1452,
&end
#
# 0 AMB 10-2:1616 41 HIS HN 4.50 (# 1616:10 Single Ambig)
&rst
ixpk= 1616, nxpk= 10, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 592, 593, 736, 737, 738,
&end
#
# 40 ILE HG1- 41 HIS HN 5.50 (# 1617:10 Unique 4.30, 4.74 A)
&rst
ixpk= 1617, nxpk= 10, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 592, 593,
&end
#
# 41 HIS HB- 41 HIS HN 4.50 (# 1618:10 Unique 2.05, 2.64 A)
&rst
ixpk= 1618, nxpk= 10, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 605, 606,
&end
#
# 50 MET HG+ 41 HIS HN 5.50 (# 1619:10 Unique 2.92, 4.34 A)
&rst
ixpk= 1619, nxpk= 10, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 756, 757,
&end
#
# 0 AMB 10-2:1622 41 HIS HN 6.50 (# 1622:10 Single Ambig)
&rst
ixpk= 1622, nxpk= 10, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1101,1102, 969, 970,
&end
#
# 41 HIS HB+ 41 HIS HN 3.50 (# 1623:10 Unique 2.05, 2.64 A)
&rst
ixpk= 1623, nxpk= 10, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 605, 606,
&end
#
# 95 PRO HA 41 HIS HN 5.50 (# 1624:10 Unique 3.46, 3.78 A)
&rst
ixpk= 1624, nxpk= 10, iat=1454, 601, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ILE HA 41 HIS HN 3.50 (# 1625:10 Unique 2.02, 2.07 A)
&rst
ixpk= 1625, nxpk= 10, iat= 584, 601, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 HIS HA 41 HIS HN 4.50 (# 1626:10 Unique 2.85, 2.97 A)
&rst
ixpk= 1626, nxpk= 10, iat= 603, 601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ASP HA 45 SER HN 4.50 (# 1627:10 Unique 2.33, 3.40 A)
&rst
ixpk= 1627, nxpk= 10, iat= 651, 661, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 ASP HA 44 ASP HN 3.50 (# 1629:10 Unique 2.23, 2.85 A)
&rst
ixpk= 1629, nxpk= 10, iat= 651, 649, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 PHE HB- 43 SER HN 5.50 (# 1631:10 Unique 3.10, 3.92 A)
&rst
ixpk= 1631, nxpk= 10, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 622, 623,
&end
#
# 43 SER HB+ 43 SER HN 5.50 (# 1632:10 Unique 2.64, 3.17 A)
&rst
ixpk= 1632, nxpk= 10, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 642, 643,
&end
#
# 43 SER HB- 43 SER HN 5.50 (# 1633:10 Unique 2.64, 3.17 A)
&rst
ixpk= 1633, nxpk= 10, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 642, 643,
&end
#
# 42 PHE HA 43 SER HN 3.50 (# 1634:10 Unique 2.07, 2.15 A)
&rst
ixpk= 1634, nxpk= 10, iat= 620, 638, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 SER HA 43 SER HN 4.50 (# 1635:10 Unique 2.95, 2.97 A)
&rst
ixpk= 1635, nxpk= 10, iat= 640, 638, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 TRP HA 43 SER HN 6.50 (# 1636:10 Unique 2.45, 3.34 A)
&rst
ixpk= 1636, nxpk= 10, iat= 684, 638, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 42 PHE HD 43 SER HN 5.50 (# 1637:10 Unique 3.54, 5.10 A)
&rst
ixpk= 1637, nxpk= 10, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 626, 634,
&end
#
# 46 ALA HN 43 SER HN 4.50 (# 1638:10 Unique 2.97, 3.27 A)
&rst
ixpk= 1638, nxpk= 10, iat= 672, 638, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 ASP HN 43 SER HN 5.50 (# 1639:10 Unique 4.61, 5.14 A)
&rst
ixpk= 1639, nxpk= 10, iat=1378, 638, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1640 42 PHE HN 5.50 (# 1640:10 Single Ambig)
&rst
ixpk= 1640, nxpk= 10, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1465,1466,1465,1466, 622, 623,
&end
#
# 41 HIS HB- 42 PHE HN 5.50 (# 1641:10 Unique 2.66, 4.07 A)
&rst
ixpk= 1641, nxpk= 10, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 605, 606,
&end
#
# 0 AMB 10-2:1642 42 PHE HN 2.80 (# 1642:10 Single Ambig)
&rst
ixpk= 1642, nxpk= 10, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 603, 620,
&end
#
# 0 AMB 10-2:1643 42 PHE HN 5.50 (# 1643:10 Single Ambig)
&rst
ixpk= 1643, nxpk= 10, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 638, 649,
&end
#
# 49 ILE HN 48 ARG HN 5.50 (# 1644:10 Unique 2.05, 4.26 A)
&rst
ixpk= 1644, nxpk= 10, iat= 730, 706, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 MET HG- 50 MET HN 4.50 (# 1645:10 Unique 3.05, 3.65 A)
&rst
ixpk= 1645, nxpk= 10, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 756, 757,
&end
#
# 50 MET HA 51 VAL HN 3.50 (# 1646:10 Unique 2.10, 2.22 A)
&rst
ixpk= 1646, nxpk= 10, iat= 751, 766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 THR HB 55 THR HN 6.50 (# 1647:10 Unique 2.84, 3.28 A)
&rst
ixpk= 1647, nxpk= 10, iat= 829, 825, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 100 LEU HA 104 GLN HN 5.50 (# 1648:10 Unique 5.10, 5.23 A)
&rst
ixpk= 1648, nxpk= 10, iat=1528,1574, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 LEU HN 104 GLN HN 4.50 (# 1650:10 Unique 3.48, 3.70 A)
&rst
ixpk= 1650, nxpk= 10, iat=1526,1574, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 TRP HB+ 61 TRP HN 4.50 (# 1651:10 Unique 2.36, 3.13 A)
&rst
ixpk= 1651, nxpk= 10, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 926, 927,
&end
#
# 61 TRP HB- 61 TRP HN 3.50 (# 1652:10 Unique 2.36, 3.13 A)
&rst
ixpk= 1652, nxpk= 10, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 926, 927,
&end
#
# 0 AMB 10-2:1654 61 TRP HN 4.50 (# 1654:10 Single Ambig)
&rst
ixpk= 1654, nxpk= 10, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 905, 906, 905, 906,
&end
#
# 62 VAL MGX 61 TRP HN 5.50 (# 1655:10 Unique 4.37, 6.60 A)
&rst
ixpk= 1655, nxpk= 10, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 952, 953, 954, 956, 957, 958,
&end
#
# 60 ARG HA 61 TRP HN 3.50 (# 1656:10 Unique 2.11, 2.22 A)
&rst
ixpk= 1656, nxpk= 10, iat= 900, 922, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 TRP HA 61 TRP HN 4.50 (# 1657:10 Unique 2.95, 2.98 A)
&rst
ixpk= 1657, nxpk= 10, iat= 924, 922, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 TRP HD1 61 TRP HN 4.50 (# 1658:10 Unique 3.10, 3.77 A)
&rst
ixpk= 1658, nxpk= 10, iat= 930, 922, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 ARG HN 61 TRP HN 5.50 (# 1659:10 Unique 4.15, 4.33 A)
&rst
ixpk= 1659, nxpk= 10, iat= 898, 922, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 VAL HN 62 VAL HN 4.50 (# 1660:10 Unique 2.64, 2.81 A)
&rst
ixpk= 1660, nxpk= 10, iat= 766, 946, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ASP HN 66 GLU HN 4.50 (# 1661:10 Unique 2.42, 3.13 A)
&rst
ixpk= 1661, nxpk= 10, iat=1027,1012, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 GLN HA 65 GLN HN 4.50 (# 1662:10 Unique 2.19, 2.84 A)
&rst
ixpk= 1662, nxpk= 10, iat= 997, 995, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 LEU HA 0 AMB 10-1:1663 3.50 (# 1663:10 Single Ambig)
&rst
ixpk= 1663, nxpk= 10, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 995, 976,
&end
#
# 65 GLN HB- 65 GLN HN 4.50 (# 1664:10 Unique 1.96, 3.15 A)
&rst
ixpk= 1664, nxpk= 10, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 999,1000,
&end
#
# 65 GLN HB+ 65 GLN HN 3.50 (# 1665:10 Unique 1.96, 3.15 A)
&rst
ixpk= 1665, nxpk= 10, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 999,1000,
&end
#
# 71 GLU HN 70 ASP HN 5.50 (# 1667:10 Unique 1.79, 3.37 A)
&rst
ixpk= 1667, nxpk= 10, iat=1071,1059, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 GLU HA 71 GLU HN 3.50 (# 1668:10 Unique 2.24, 2.71 A)
&rst
ixpk= 1668, nxpk= 10, iat=1073,1071, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 GLN HE2+ 71 GLU HN 6.50 (# 1669:10 Unique 4.33, 6.74 A)
&rst
ixpk= 1669, nxpk= 10, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1109,1110,
&end
#
# 70 ASP HN 71 GLU HN 5.50 (# 1671:10 Unique 1.79, 3.37 A)
&rst
ixpk= 1671, nxpk= 10, iat=1059,1071, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1673 72 SER HN 3.50 (# 1673:10 Single Ambig)
&rst
ixpk= 1673, nxpk= 10, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1073,1088,
&end
#
# 72 SER HB- 72 SER HN 3.50 (# 1674:10 Unique 2.45, 3.21 A)
&rst
ixpk= 1674, nxpk= 10, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1090,1091,
&end
#
# 72 SER HB+ 72 SER HN 3.50 (# 1675:10 Unique 2.45, 3.21 A)
&rst
ixpk= 1675, nxpk= 10, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1090,1091,
&end
#
# 73 GLN HN 72 SER HN 4.50 (# 1677:10 Unique 1.91, 2.84 A)
&rst
ixpk= 1677, nxpk= 10, iat=1097,1086, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 GLN HG- 72 SER HN 4.50 (# 1678:10 Unique 1.87, 3.73 A)
&rst
ixpk= 1678, nxpk= 10, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1002,1003,
&end
#
# 0 AMB 10-2:1680 72 SER HN 4.50 (# 1680:10 Single Ambig)
&rst
ixpk= 1680, nxpk= 10, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 999,1000,1075,1076,
&end
#
# 81 SER HA 82 ILE HN 2.80 (# 1681:10 Unique 2.15, 2.22 A)
&rst
ixpk= 1681, nxpk= 10, iat=1227,1236, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:1682 82 ILE HN 4.50 (# 1682:10 Single Ambig)
&rst
ixpk= 1682, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1229,1230,1229,1230,
&end
#
# 82 ILE HB 82 ILE HN 3.50 (# 1683:10 Unique 2.26, 2.36 A)
&rst
ixpk= 1683, nxpk= 10, iat=1240,1236, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 ILE HG1- 82 ILE HN 4.50 (# 1685:10 Unique 4.36, 4.48 A)
&rst
ixpk= 1685, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1246,1247,
&end
#
# 82 ILE QG2 82 ILE HN 3.50 (# 1686:10 Unique 3.81, 4.36 A)
&rst
ixpk= 1686, nxpk= 10, iat= -1,1236, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1242,1243,1244,
&end
#
# 79 GLU HG+ 80 LEU HN 5.50 (# 1688:10 Unique 3.78, 5.15 A)
&rst
ixpk= 1688, nxpk= 10, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1198,1199,
&end
#
# 113 ALA HN 83 HIS HN 5.50 (# 1693:10 Unique 4.26, 4.85 A)
&rst
ixpk= 1693, nxpk= 10, iat=1724,1255, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 ILE HN 83 HIS HN 5.50 (# 1694:10 Unique 4.46, 4.49 A)
&rst
ixpk= 1694, nxpk= 10, iat=1236,1255, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1696 83 HIS HN 4.50 (# 1696:10 Single Ambig)
&rst
ixpk= 1696, nxpk= 10, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1709,1690,
&end
#
# 82 ILE HA 83 HIS HN 2.80 (# 1697:10 Unique 2.09, 2.13 A)
&rst
ixpk= 1697, nxpk= 10, iat=1238,1255, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 83 HIS HB- 83 HIS HN 3.50 (# 1698:10 Unique 2.59, 3.30 A)
&rst
ixpk= 1698, nxpk= 10, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1259,1260,
&end
#
# 83 HIS HB+ 83 HIS HN 3.50 (# 1699:10 Unique 2.59, 3.30 A)
&rst
ixpk= 1699, nxpk= 10, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1259,1260,
&end
#
# 111 LEU HB- 83 HIS HN 4.50 (# 1700:10 Unique 3.05, 4.22 A)
&rst
ixpk= 1700, nxpk= 10, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1692,1693,
&end
#
# 0 AMB 10-2:1701 83 HIS HN 4.50 (# 1701:10 Single Ambig)
&rst
ixpk= 1701, nxpk= 10, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1240,1279,
&end
#
# 0 AMB 10-2:1702 83 HIS HN 5.50 (# 1702:10 Single Ambig)
&rst
ixpk= 1702, nxpk= 10, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1695,1673,1674,
&end
#
# 111 LEU MDY 83 HIS HN 5.50 (# 1703:10 Unique 3.79, 5.88 A)
&rst
ixpk= 1703, nxpk= 10, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1697,1698,1699,1701,1702,1703,
&end
#
# 110 LEU MDY 83 HIS HN 4.50 (# 1704:10 Unique 3.14, 5.67 A)
&rst
ixpk= 1704, nxpk= 10, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1678,1679,1680,1682,1683,1684,
&end
#
# 0 AMB 10-2:1705 83 HIS HN 5.50 (# 1705:10 Single Ambig)
&rst
ixpk= 1705, nxpk= 10, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1246,1247,1281,1282,1283,1285,1286,1287,
&end
#
# 82 ILE QG2 83 HIS HN 3.50 (# 1706:10 Unique 2.42, 3.58 A)
&rst
ixpk= 1706, nxpk= 10, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1242,1243,1244,
&end
#
# 83 HIS HB- 84 LEU HN 5.50 (# 1707:10 Unique 2.68, 3.74 A)
&rst
ixpk= 1707, nxpk= 10, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1259,1260,
&end
#
# 84 LEU HA 84 LEU HN 3.50 (# 1708:10 Unique 2.89, 2.95 A)
&rst
ixpk= 1708, nxpk= 10, iat=1274,1272, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 HIS HN 84 LEU HN 4.50 (# 1710:10 Unique 3.94, 4.30 A)
&rst
ixpk= 1710, nxpk= 10, iat=1255,1272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 109 SER HN 85 GLN HN 4.50 (# 1711:10 Unique 2.80, 2.98 A)
&rst
ixpk= 1711, nxpk= 10, iat=1658,1291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 LEU HN 85 GLN HN 4.50 (# 1712:10 Unique 4.29, 4.46 A)
&rst
ixpk= 1712, nxpk= 10, iat=1272,1291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 PHE HA 85 GLN HN 6.50 (# 1714:10 Unique 4.62, 4.89 A)
&rst
ixpk= 1714, nxpk= 10, iat=1640,1291, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 84 LEU HA 85 GLN HN 2.80 (# 1715:10 Unique 2.05, 2.17 A)
&rst
ixpk= 1715, nxpk= 10, iat=1274,1291, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 86 PRO HA 85 GLN HN 5.50 (# 1716:10 Unique 4.71, 4.92 A)
&rst
ixpk= 1716, nxpk= 10, iat=1318,1291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 GLN HA 85 GLN HN 3.50 (# 1717:10 Unique 2.82, 2.95 A)
&rst
ixpk= 1717, nxpk= 10, iat=1293,1291, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1718 85 GLN HN 4.50 (# 1718:10 Single Ambig)
&rst
ixpk= 1718, nxpk= 10, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1662,1663,1662,1663,
&end
#
# 108 PHE HB+ 85 GLN HN 5.50 (# 1719:10 Unique 3.53, 4.58 A)
&rst
ixpk= 1719, nxpk= 10, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1642,1643,
&end
#
# 0 AMB 10-2:1721 85 GLN HN 4.50 (# 1721:10 Single Ambig)
&rst
ixpk= 1721, nxpk= 10, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1298,1299,1298,1299,
&end
#
# 85 GLN HB+ 85 GLN HN 3.50 (# 1722:10 Unique 2.76, 3.44 A)
&rst
ixpk= 1722, nxpk= 10, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1295,1296,
&end
#
# 85 GLN HB- 85 GLN HN 3.50 (# 1723:10 Unique 2.76, 3.44 A)
&rst
ixpk= 1723, nxpk= 10, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1295,1296,
&end
#
# 84 LEU HG 85 GLN HN 5.50 (# 1724:10 Unique 2.43, 4.10 A)
&rst
ixpk= 1724, nxpk= 10, iat=1279,1291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 LEU HB- 85 GLN HN 3.50 (# 1725:10 Unique 2.20, 3.78 A)
&rst
ixpk= 1725, nxpk= 10, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1276,1277,
&end
#
# 84 LEU HB+ 85 GLN HN 3.50 (# 1726:10 Unique 2.20, 3.78 A)
&rst
ixpk= 1726, nxpk= 10, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1276,1277,
&end
#
# 84 LEU MDY 85 GLN HN 4.50 (# 1727:10 Unique 1.92, 4.04 A)
&rst
ixpk= 1727, nxpk= 10, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1281,1282,1283,1285,1286,1287,
&end
#
# 84 LEU MDX 85 GLN HN 4.50 (# 1728:10 Unique 1.92, 4.04 A)
&rst
ixpk= 1728, nxpk= 10, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1281,1282,1283,1285,1286,1287,
&end
#
# 108 PHE HD 85 GLN HE2- 5.50 (# 1729:10 Unique 5.40, 7.87 A)
&rst
ixpk= 1729, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1646,1654,
igr2=1303,1304,
&end
#
# 0 AMB 10-2:1734 0 AMB 10-1:1734 6.50 (# 1734:10 Double Ambig)
&rst
ixpk= 1734, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
igr1=1318,2123,
igr2=1303,1304,1303,1304,
&end
#
# 0 AMB 10-2:1737 0 AMB 10-1:1737 6.50 (# 1737:10 Double Ambig)
&rst
ixpk= 1737, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.32, r4=10.82,
igr1=1295,1296,1692,1693,
igr2=1303,1304,1303,1304,
&end
#
# 89 PRO HD- 88 LYS HN 4.50 (# 1738:10 Unique 3.52, 4.86 A)
&rst
ixpk= 1738, nxpk= 10, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1365,1366,
&end
#
# 89 PRO HA 90 ASP HN 3.50 (# 1739:10 Unique 2.20, 2.28 A)
&rst
ixpk= 1739, nxpk= 10, iat=1374,1378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 ASP HA 90 ASP HN 4.50 (# 1740:10 Unique 2.90, 2.94 A)
&rst
ixpk= 1740, nxpk= 10, iat=1380,1378, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 SER HA 90 ASP HN 3.50 (# 1741:10 Unique 2.44, 2.86 A)
&rst
ixpk= 1741, nxpk= 10, iat= 640,1378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 GLN HE2- 90 ASP HN 4.50 (# 1742:10 Unique 2.07, 2.83 A)
&rst
ixpk= 1742, nxpk= 10, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1470,1471,
&end
#
# 96 GLN HE2+ 90 ASP HN 4.50 (# 1743:10 Unique 2.07, 2.83 A)
&rst
ixpk= 1743, nxpk= 10, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1470,1471,
&end
#
# 110 LEU HN 109 SER HN 5.50 (# 1747:10 Unique 4.02, 4.31 A)
&rst
ixpk= 1747, nxpk= 10, iat=1669,1658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 VAL MGY 108 PHE HN 5.50 (# 1748:10 Unique 4.48, 6.47 A)
&rst
ixpk= 1748, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1892,1893,1894,1896,1897,1898,
&end
#
# 105 ILE QG2 106 THR HN 3.50 (# 1750:10 Unique 2.28, 3.15 A)
&rst
ixpk= 1750, nxpk= 10, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1597,1598,1599,
&end
#
# 105 ILE HA 105 ILE HN 3.50 (# 1751:10 Unique 2.95, 2.99 A)
&rst
ixpk= 1751, nxpk= 10, iat=1593,1591, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 GLN HA 105 ILE HN 2.80 (# 1752:10 Unique 2.16, 2.22 A)
&rst
ixpk= 1752, nxpk= 10, iat=1576,1591, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:1753 105 ILE HN 5.50 (# 1753:10 Single Ambig)
&rst
ixpk= 1753, nxpk= 10, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1935,1936,1935,1936,
&end
#
# 104 GLN HG+ 105 ILE HN 4.50 (# 1754:10 Unique 4.01, 4.61 A)
&rst
ixpk= 1754, nxpk= 10, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1581,1582,
&end
#
# 104 GLN HG- 105 ILE HN 4.50 (# 1755:10 Unique 4.01, 4.61 A)
&rst
ixpk= 1755, nxpk= 10, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1581,1582,
&end
#
# 0 AMB 10-2:1756 105 ILE HN 3.50 (# 1756:10 Single Ambig)
&rst
ixpk= 1756, nxpk= 10, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1578,1579,1578,1579,
&end
#
# 105 ILE QD1 105 ILE HN 3.50 (# 1758:10 Unique 2.95, 4.26 A)
&rst
ixpk= 1758, nxpk= 10, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1604,1605,1606,
&end
#
# 105 ILE QG2 105 ILE HN 4.50 (# 1759:10 Unique 4.47, 4.81 A)
&rst
ixpk= 1759, nxpk= 10, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1597,1598,1599,
&end
#
# 105 ILE HB 105 ILE HN 3.50 (# 1760:10 Unique 2.77, 2.91 A)
&rst
ixpk= 1760, nxpk= 10, iat=1595,1591, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 GLN HN 105 ILE HN 4.50 (# 1761:10 Unique 4.52, 4.55 A)
&rst
ixpk= 1761, nxpk= 10, iat=1574,1591, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 129 SER HN 105 ILE HN 6.50 (# 1762:10 Unique 3.96, 4.12 A)
&rst
ixpk= 1762, nxpk= 10, iat=1931,1591, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 99 ILE QG2 105 ILE HN 6.50 (# 1763:10 Unique 5.57, 6.84 A)
&rst
ixpk= 1763, nxpk= 10, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1=1513,1514,1515,
&end
#
# 100 LEU HN 101 ALA HN 4.50 (# 1766:10 Unique 4.56, 4.57 A)
&rst
ixpk= 1766, nxpk= 10, iat=1526,1545, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 ILE HN 100 LEU HN 5.50 (# 1767:10 Unique 4.26, 4.36 A)
&rst
ixpk= 1767, nxpk= 10, iat=1507,1526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 ALA HN 100 LEU HN 5.50 (# 1768:10 Unique 4.56, 4.57 A)
&rst
ixpk= 1768, nxpk= 10, iat=1545,1526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 GLN HN 100 LEU HN 4.50 (# 1769:10 Unique 3.48, 3.70 A)
&rst
ixpk= 1769, nxpk= 10, iat=1574,1526, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 102 ASP HN 100 LEU HN 6.50 (# 1770:10 Unique 4.81, 4.94 A)
&rst
ixpk= 1770, nxpk= 10, iat=1555,1526, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 105 ILE HA 100 LEU HN 3.50 (# 1771:10 Unique 2.94, 3.27 A)
&rst
ixpk= 1771, nxpk= 10, iat=1593,1526, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 LEU HA 100 LEU HN 3.50 (# 1772:10 Unique 2.94, 2.96 A)
&rst
ixpk= 1772, nxpk= 10, iat=1528,1526, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 ILE HA 100 LEU HN 2.80 (# 1773:10 Unique 2.13, 2.18 A)
&rst
ixpk= 1773, nxpk= 10, iat=1509,1526, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 100 LEU HB- 100 LEU HN 3.50 (# 1774:10 Unique 2.30, 3.11 A)
&rst
ixpk= 1774, nxpk= 10, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1530,1531,
&end
#
# 0 AMB 10-2:1775 100 LEU HN 4.50 (# 1775:10 Single Ambig)
&rst
ixpk= 1775, nxpk= 10, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1511,1616,1617,1618,
&end
#
# 100 LEU HB+ 100 LEU HN 3.50 (# 1776:10 Unique 2.30, 3.11 A)
&rst
ixpk= 1776, nxpk= 10, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1530,1531,
&end
#
# 99 ILE HG1+ 100 LEU HN 4.50 (# 1777:10 Unique 4.38, 4.97 A)
&rst
ixpk= 1777, nxpk= 10, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1517,1518,
&end
#
# 105 ILE QG2 100 LEU HN 4.50 (# 1778:10 Unique 4.29, 5.69 A)
&rst
ixpk= 1778, nxpk= 10, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1597,1598,1599,
&end
#
# 0 AMB 10-2:1779 100 LEU HN 4.50 (# 1779:10 Single Ambig)
&rst
ixpk= 1779, nxpk= 10, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1497,1498,1499,1501,1502,1503,1517,1518,
&end
#
# 99 ILE QG2 100 LEU HN 3.50 (# 1780:10 Unique 2.81, 3.59 A)
&rst
ixpk= 1780, nxpk= 10, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1513,1514,1515,
&end
#
# 31 ALA MB 100 LEU HN 5.50 (# 1781:10 Unique 4.95, 5.38 A)
&rst
ixpk= 1781, nxpk= 10, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 471, 472, 473,
&end
#
# 105 ILE QD1 100 LEU HN 3.50 (# 1782:10 Unique 3.12, 4.35 A)
&rst
ixpk= 1782, nxpk= 10, iat= -1,1526, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1604,1605,1606,
&end
#
# 100 LEU HN 99 ILE HN 5.50 (# 1783:10 Unique 4.26, 4.36 A)
&rst
ixpk= 1783, nxpk= 10, iat=1526,1507, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1785 99 ILE HN 4.50 (# 1785:10 Single Ambig)
&rst
ixpk= 1785, nxpk= 10, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 565, 566, 567, 569, 570, 571,1597,1598,1599,
&end
#
# 106 THR HB 98 VAL HN 3.50 (# 1787:10 Unique 2.31, 3.43 A)
&rst
ixpk= 1787, nxpk= 10, iat=1614,1491, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 PHE HD 97 VAL HN 3.50 (# 1788:10 Unique 3.07, 5.53 A)
&rst
ixpk= 1788, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 626, 634,
&end
#
# 121 LEU HG 121 LEU HN 4.50 (# 1790:10 Unique 4.03, 4.34 A)
&rst
ixpk= 1790, nxpk= 10, iat=1822,1815, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1791 121 LEU HN 3.50 (# 1791:10 Single Ambig)
&rst
ixpk= 1791, nxpk= 10, iat= -1,1815, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1824,1825,1826,1828,1829,1830,1824,1825,1826,1828,
1829,1830,
&end
#
# 113 ALA MB 121 LEU HN 4.50 (# 1792:10 Unique 3.87, 4.95 A)
&rst
ixpk= 1792, nxpk= 10, iat= -1,1815, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1728,1729,1730,
&end
#
# 121 LEU HB+ 121 LEU HN 3.50 (# 1793:10 Unique 2.34, 3.07 A)
&rst
ixpk= 1793, nxpk= 10, iat= -1,1815, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1819,1820,
&end
#
# 121 LEU HB- 121 LEU HN 3.50 (# 1795:10 Unique 2.34, 3.07 A)
&rst
ixpk= 1795, nxpk= 10, iat= -1,1815, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1819,1820,
&end
#
# 0 AMB 10-2:1796 0 AMB 10-1:1796 5.50 (# 1796:10 Double Ambig)
&rst
ixpk= 1796, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1838,1839, 760, 761, 762,
igr2=1815,1402,
&end
#
# 120 PRO HB- 121 LEU HN 4.50 (# 1797:10 Unique 3.15, 3.67 A)
&rst
ixpk= 1797, nxpk= 10, iat= -1,1815, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1808,1809,
&end
#
# 0 AMB 10-2:1798 0 AMB 10-1:1798 5.50 (# 1798:10 Double Ambig)
&rst
ixpk= 1798, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1434,1435,1793,1794,1793,1794,1714,1715,
igr2=1402,1815,
&end
#
# 113 ALA HA 121 LEU HN 3.50 (# 1799:10 Unique 2.06, 2.64 A)
&rst
ixpk= 1799, nxpk= 10, iat=1726,1815, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 LEU HN 121 LEU HN 3.50 (# 1801:10 Unique 1.96, 2.12 A)
&rst
ixpk= 1801, nxpk= 10, iat=1834,1815, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 114 ASN HN 121 LEU HN 5.50 (# 1802:10 Unique 3.51, 4.05 A)
&rst
ixpk= 1802, nxpk= 10, iat=1734,1815, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 LEU HN 123 THR HN 4.50 (# 1807:10 Unique 4.27, 4.34 A)
&rst
ixpk= 1807, nxpk= 10, iat=1867,1853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 ALA HA 123 THR HN 5.50 (# 1808:10 Unique 3.70, 4.73 A)
&rst
ixpk= 1808, nxpk= 10, iat=2063,1853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 THR HB 123 THR HN 5.50 (# 1809:10 Unique 4.50, 5.05 A)
&rst
ixpk= 1809, nxpk= 10, iat=2032,1853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1810 123 THR HN 6.50 (# 1810:10 Single Ambig)
&rst
ixpk= 1810, nxpk= 10, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=2015,2016,2018,2019,
&end
#
# 134 GLN HG- 123 THR HN 6.50 (# 1811:10 Unique 4.58, 5.88 A)
&rst
ixpk= 1811, nxpk= 10, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=2018,2019,
&end
#
# 135 THR MG2 123 THR HN 4.50 (# 1812:10 Unique 2.31, 3.71 A)
&rst
ixpk= 1812, nxpk= 10, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2034,2035,2036,
&end
#
# 110 LEU HN 124 LEU HN 4.50 (# 1813:10 Unique 2.87, 3.08 A)
&rst
ixpk= 1813, nxpk= 10, iat=1669,1867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1814 124 LEU HN 4.50 (# 1814:10 Single Ambig)
&rst
ixpk= 1814, nxpk= 10, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1886,1853,
&end
#
# 111 LEU HA 124 LEU HN 3.50 (# 1815:10 Unique 2.92, 3.32 A)
&rst
ixpk= 1815, nxpk= 10, iat=1690,1867, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 124 LEU HA 124 LEU HN 3.50 (# 1816:10 Unique 2.95, 2.97 A)
&rst
ixpk= 1816, nxpk= 10, iat=1869,1867, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 123 THR HA 124 LEU HN 2.80 (# 1817:10 Unique 2.14, 2.19 A)
&rst
ixpk= 1817, nxpk= 10, iat=1855,1867, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:1819 124 LEU HN 5.50 (# 1819:10 Single Ambig)
&rst
ixpk= 1819, nxpk= 10, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1662,1663,1662,1663,
&end
#
# 123 THR HB 124 LEU HN 4.50 (# 1820:10 Unique 3.86, 4.05 A)
&rst
ixpk= 1820, nxpk= 10, iat=1857,1867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 LEU HB- 124 LEU HN 3.50 (# 1821:10 Unique 2.31, 3.09 A)
&rst
ixpk= 1821, nxpk= 10, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1871,1872,
&end
#
# 124 LEU HG 124 LEU HN 4.50 (# 1822:10 Unique 2.78, 4.07 A)
&rst
ixpk= 1822, nxpk= 10, iat=1874,1867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1823 124 LEU HN 3.50 (# 1823:10 Single Ambig)
&rst
ixpk= 1823, nxpk= 10, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1871,1872,1673,1674,
&end
#
# 123 THR MG2 124 LEU HN 3.50 (# 1824:10 Unique 2.55, 3.38 A)
&rst
ixpk= 1824, nxpk= 10, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1859,1860,1861,
&end
#
# 0 AMB 10-2:1825 124 LEU HN 4.50 (# 1825:10 Single Ambig)
&rst
ixpk= 1825, nxpk= 10, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1843,1844,1845,1847,1848,1849,1697,1698,1699,1701,
1702,1703,
&end
#
# 0 AMB 10-2:1826 124 LEU HN 4.50 (# 1826:10 Single Ambig)
&rst
ixpk= 1826, nxpk= 10, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1678,1679,1680,1682,1683,1684,1678,1679,1680,1682,
1683,1684,
&end
#
# 123 THR HB 125 VAL HN 6.50 (# 1828:10 Unique 5.31, 6.10 A)
&rst
ixpk= 1828, nxpk= 10, iat=1857,1886, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 110 LEU HN 126 CYS HN 5.50 (# 1829:10 Unique 4.54, 5.08 A)
&rst
ixpk= 1829, nxpk= 10, iat=1669,1902, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 THR MG2 126 CYS HN 6.50 (# 1832:10 Unique 6.31, 7.57 A)
&rst
ixpk= 1832, nxpk= 10, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1=1859,1860,1861,
&end
#
# 130 TRP HA 130 TRP HE1 6.50 (# 1837:10 Unique 5.88, 5.95 A)
&rst
ixpk= 1837, nxpk= 10, iat=1944,1952, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 25 GLU HB- 130 TRP HE1 6.50 (# 1838:10 Unique 5.30, 6.63 A)
&rst
ixpk= 1838, nxpk= 10, iat= -1,1952, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 372, 373,
&end
#
# 28 ILE QD1 130 TRP HE1 6.50 (# 1839:10 Unique 4.54, 5.60 A)
&rst
ixpk= 1839, nxpk= 10, iat= -1,1952, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 425, 426, 427,
&end
#
# 126 CYS HA 133 ASP HN 4.50 (# 1840:10 Unique 3.49, 3.66 A)
&rst
ixpk= 1840, nxpk= 10, iat=1904,1999, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 133 ASP HB- 133 ASP HN 2.80 (# 1841:10 Unique 2.33, 2.56 A)
&rst
ixpk= 1841, nxpk= 10, iat= -1,1999, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2003,2004,
&end
#
# 135 THR HA 134 GLN HN 5.50 (# 1842:10 Unique 4.53, 5.03 A)
&rst
ixpk= 1842, nxpk= 10, iat=2030,2011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 GLN HG- 134 GLN HE2+ 3.50 (# 1844:10 Unique 2.35, 3.35 A)
&rst
ixpk= 1844, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2018,2019,
igr2=2023,2024,
&end
#
# 134 GLN HG- 134 GLN HE2- 3.50 (# 1845:10 Unique 2.35, 3.35 A)
&rst
ixpk= 1845, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2018,2019,
igr2=2023,2024,
&end
#
# 136 LEU HG 136 LEU HN 4.50 (# 1847:10 Unique 2.53, 3.81 A)
&rst
ixpk= 1847, nxpk= 10, iat=2049,2042, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 135 THR MG2 136 LEU HN 4.50 (# 1848:10 Unique 3.25, 4.34 A)
&rst
ixpk= 1848, nxpk= 10, iat= -1,2042, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2034,2035,2036,
&end
#
# 136 LEU HB+ 136 LEU HN 3.50 (# 1849:10 Unique 2.30, 2.98 A)
&rst
ixpk= 1849, nxpk= 10, iat= -1,2042, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2046,2047,
&end
#
# 136 LEU HB- 136 LEU HN 3.50 (# 1850:10 Unique 2.30, 2.98 A)
&rst
ixpk= 1850, nxpk= 10, iat= -1,2042, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2046,2047,
&end
#
# 135 THR HA 136 LEU HN 2.80 (# 1851:10 Unique 2.27, 2.35 A)
&rst
ixpk= 1851, nxpk= 10, iat=2030,2042, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:1852 140 THR HN 4.50 (# 1852:10 Single Ambig)
&rst
ixpk= 1852, nxpk= 10, iat= -1,2107, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2109,2111,
&end
#
# 141 ARG HB+ 141 ARG HN 4.50 (# 1853:10 Unique 2.13, 2.77 A)
&rst
ixpk= 1853, nxpk= 10, iat= -1,2121, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2125,2126,
&end
#
# 0 AMB 10-2:1854 141 ARG HN 3.50 (# 1854:10 Single Ambig)
&rst
ixpk= 1854, nxpk= 10, iat= -1,2121, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2075,2076,2075,2076,
&end
#
# 141 ARG HA 141 ARG HN 4.50 (# 1855:10 Unique 2.83, 2.95 A)
&rst
ixpk= 1855, nxpk= 10, iat=2123,2121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 140 THR HN 141 ARG HN 5.50 (# 1858:10 Unique 2.39, 2.70 A)
&rst
ixpk= 1858, nxpk= 10, iat=2107,2121, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 LEU HA 10 ASN HD2- 4.50 (# 1860:10 Unique 3.59, 4.63 A)
&rst
ixpk= 1860, nxpk= 10, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 145, 146,
&end
#
# 121 LEU HA 10 ASN HD2+ 4.50 (# 1861:10 Unique 3.59, 4.63 A)
&rst
ixpk= 1861, nxpk= 10, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 145, 146,
&end
#
# 10 ASN HA 10 ASN HD2- 4.50 (# 1862:10 Unique 3.06, 3.83 A)
&rst
ixpk= 1862, nxpk= 10, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 145, 146,
&end
#
# 10 ASN HA 10 ASN HD2+ 4.50 (# 1863:10 Unique 3.06, 3.83 A)
&rst
ixpk= 1863, nxpk= 10, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 145, 146,
&end
#
# 10 ASN HB+ 10 ASN HD2- 3.50 (# 1864:10 Unique 2.17, 3.29 A)
&rst
ixpk= 1864, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 140, 141,
igr2= 145, 146,
&end
#
# 10 ASN HB+ 10 ASN HD2+ 3.50 (# 1865:10 Unique 2.17, 3.29 A)
&rst
ixpk= 1865, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 140, 141,
igr2= 145, 146,
&end
#
# 10 ASN HB- 10 ASN HD2+ 3.50 (# 1866:10 Unique 2.17, 3.29 A)
&rst
ixpk= 1866, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 140, 141,
igr2= 145, 146,
&end
#
# 121 LEU MDY 10 ASN HD2+ 4.50 (# 1868:10 Unique 1.93, 5.11 A)
&rst
ixpk= 1868, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1824,1825,1826,1828,1829,1830,
igr2= 145, 146,
&end
#
# 80 LEU MDY 10 ASN HD2+ 6.50 (# 1869:10 Unique 6.44, 9.66 A)
&rst
ixpk= 1869, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1=1215,1216,1217,1219,1220,1221,
igr2= 145, 146,
&end
#
# 136 LEU HG 10 ASN HD2- 6.50 (# 1870:10 Unique 3.18, 5.22 A)
&rst
ixpk= 1870, nxpk= 10, iat=2049, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 145, 146,
&end
#
# 42 PHE HN 41 HIS HN 4.50 (# 1871:10 Unique 3.03, 4.40 A)
&rst
ixpk= 1871, nxpk= 10, iat= 618, 601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 LYS HB- 55 THR HN 6.50 (# 1872:10 Unique 2.33, 3.54 A)
&rst
ixpk= 1872, nxpk= 10, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 807, 808,
&end
#
# 59 TRP HZ2 59 TRP HE1 4.50 (# 1873:10 Unique 2.87, 2.88 A)
&rst
ixpk= 1873, nxpk= 10, iat= 887, 884, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 TRP HD1 59 TRP HE1 3.50 (# 1875:10 Unique 2.54, 2.56 A)
&rst
ixpk= 1875, nxpk= 10, iat= 882, 884, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 VAL HN 61 TRP HN 6.50 (# 1876:10 Unique 4.37, 4.48 A)
&rst
ixpk= 1876, nxpk= 10, iat= 946, 922, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 64 LEU MDX 65 GLN HN 4.50 (# 1877:10 Unique 2.62, 5.14 A)
&rst
ixpk= 1877, nxpk= 10, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 985, 986, 987, 989, 990, 991,
&end
#
# 65 GLN HB- 65 GLN HE2+ 6.50 (# 1879:10 Unique 2.38, 4.38 A)
&rst
ixpk= 1879, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 999,1000,
igr2=1007,1008,
&end
#
# 66 GLU HN 67 ASP HN 4.50 (# 1881:10 Unique 2.42, 3.13 A)
&rst
ixpk= 1881, nxpk= 10, iat=1012,1027, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 ALA HN 67 ASP HN 4.50 (# 1882:10 Unique 2.02, 2.52 A)
&rst
ixpk= 1882, nxpk= 10, iat=1039,1027, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 TRP HA 53 GLY HN 5.50 (# 1883:10 Unique 3.17, 3.94 A)
&rst
ixpk= 1883, nxpk= 10, iat= 924, 796, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 TRP HZ2 47 TRP HE1 4.50 (# 1884:10 Unique 2.85, 2.88 A)
&rst
ixpk= 1884, nxpk= 10, iat= 695, 692, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 TRP HD1 47 TRP HE1 5.50 (# 1885:10 Unique 3.04, 4.76 A)
&rst
ixpk= 1885, nxpk= 10, iat=1148, 692, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 GLN HN 93 ASN HN 4.50 (# 1888:10 Unique 2.54, 2.64 A)
&rst
ixpk= 1888, nxpk= 10, iat=1427,1413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 92 SER HA 93 ASN HN 4.50 (# 1889:10 Unique 2.21, 2.53 A)
&rst
ixpk= 1889, nxpk= 10, iat=1404,1413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 92 SER HB+ 93 ASN HN 4.50 (# 1890:10 Unique 3.41, 3.96 A)
&rst
ixpk= 1890, nxpk= 10, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1406,1407,
&end
#
# 92 SER HB- 93 ASN HN 5.50 (# 1891:10 Unique 3.41, 3.96 A)
&rst
ixpk= 1891, nxpk= 10, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1406,1407,
&end
#
# 93 ASN HB+ 93 ASN HN 5.50 (# 1892:10 Unique 2.37, 2.99 A)
&rst
ixpk= 1892, nxpk= 10, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1417,1418,
&end
#
# 95 PRO HB- 97 VAL HN 3.50 (# 1893:10 Unique 2.45, 3.83 A)
&rst
ixpk= 1893, nxpk= 10, iat= -1,1475, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1451,1452,
&end
#
# 47 TRP HZ2 76 TRP HE1 6.50 (# 1896:10 Unique 2.83, 4.79 A)
&rst
ixpk= 1896, nxpk= 10, iat= 695,1150, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 76 TRP HD1 76 TRP HE1 4.50 (# 1897:10 Unique 2.54, 2.56 A)
&rst
ixpk= 1897, nxpk= 10, iat=1148,1150, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:1898 48 ARG HN 5.50 (# 1898:10 Single Ambig)
&rst
ixpk= 1898, nxpk= 10, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 716, 717, 716, 717,
&end
#
# 52 PRO HB- 53 GLY HN 5.50 (# 1899:10 Unique 2.59, 3.32 A)
&rst
ixpk= 1899, nxpk= 10, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 789, 790,
&end
#
# 19 ARG HB- 19 ARG HN 2.80 (# 1901:10 Unique 2.21, 2.80 A)
&rst
ixpk= 1901, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 275, 276,
&end
#
# 43 SER HB- 44 ASP HN 4.50 (# 1902:10 Unique 1.98, 3.19 A)
&rst
ixpk= 1902, nxpk= 10, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 642, 643,
&end
#
# 0 AMB 10-2:1903 50 MET HN 5.50 (# 1903:10 Single Ambig)
&rst
ixpk= 1903, nxpk= 10, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 406, 407, 408, 586,
&end
#
# 83 HIS HN 82 ILE HN 4.50 (# 1904:10 Unique 4.46, 4.49 A)
&rst
ixpk= 1904, nxpk= 10, iat=1255,1236, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 ASP HB- 29 ASP HN 3.50 (# 1908:10 Unique 2.29, 2.48 A)
&rst
ixpk= 1908, nxpk= 10, iat= -1, 431, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 435, 436,
&end
#
# 10 ASN HB+ 11 THR HN 3.50 (# 1911:10 Unique 2.34, 3.17 A)
&rst
ixpk= 1911, nxpk= 10, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 140, 141,
&end
#
# 10 ASN HB- 11 THR HN 3.50 (# 1912:10 Unique 2.34, 3.17 A)
&rst
ixpk= 1912, nxpk= 10, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 140, 141,
&end
#
# 15 GLU HB- 15 GLU HN 2.80 (# 1913:10 Unique 2.15, 2.82 A)
&rst
ixpk= 1913, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 226, 227,
&end
#
# 42 PHE HN 43 SER HN 6.50 (# 1915:10 Unique 3.75, 4.18 A)
&rst
ixpk= 1915, nxpk= 10, iat= 618, 638, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 40 ILE HB 97 VAL HN 4.50 (# 1916:10 Unique 3.44, 3.82 A)
&rst
ixpk= 1916, nxpk= 10, iat= 586,1475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 GLN HB+ 104 GLN HN 3.50 (# 1917:10 Unique 2.38, 3.08 A)
&rst
ixpk= 1917, nxpk= 10, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1578,1579,
&end
#
# 50 MET HG- 41 HIS HN 6.50 (# 1918:10 Unique 2.92, 4.34 A)
&rst
ixpk= 1918, nxpk= 10, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 756, 757,
&end
#
# 0 AMB 10-2:1920 0 AMB 10-1:1920 6.50 (# 1920:10 Double Ambig)
&rst
ixpk= 1920, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
igr1= 237, 164,
igr2= 180, 181, 180, 181,
&end
#
# 0 AMB 10-2:1922 0 AMB 10-1:1922 5.50 (# 1922:10 Double Ambig)
&rst
ixpk= 1922, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 166,1178,
igr2= 180, 181, 180, 181,
&end
#
# 12 ARG HD+ 12 ARG HH1+ 4.50 (# 1923:10 Unique 1.94, 3.34 A)
&rst
ixpk= 1923, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 174, 175,
igr2= 180, 181,
&end
#
# 12 ARG HD- 12 ARG HH1+ 4.50 (# 1924:10 Unique 1.94, 3.34 A)
&rst
ixpk= 1924, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 174, 175,
igr2= 180, 181,
&end
#
# 12 ARG HB+ 12 ARG HH1+ 4.50 (# 1925:10 Unique 3.23, 5.36 A)
&rst
ixpk= 1925, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 168, 169,
igr2= 180, 181,
&end
#
# 12 ARG HG+ 12 ARG HH1+ 5.50 (# 1926:10 Unique 2.17, 4.57 A)
&rst
ixpk= 1926, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 171, 172,
igr2= 180, 181,
&end
#
# 8 VAL MGY 12 ARG HH1+ 5.50 (# 1927:10 Unique 2.49, 6.51 A)
&rst
ixpk= 1927, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 116, 117, 118, 120, 121, 122,
igr2= 180, 181,
&end
#
# 0 AMB 10-2:1928 110 LEU HN 4.50 (# 1928:10 Single Ambig)
&rst
ixpk= 1928, nxpk= 10, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1688,1902,
&end
#
# 125 VAL MGY 126 CYS HN 3.50 (# 1929:10 Unique 2.67, 4.16 A)
&rst
ixpk= 1929, nxpk= 10, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1892,1893,1894,1896,1897,1898,
&end
#
# 124 LEU MDX 123 THR HN 4.50 (# 1930:10 Unique 3.49, 6.05 A)
&rst
ixpk= 1930, nxpk= 10, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1876,1877,1878,1880,1881,1882,
&end
#
# 131 PRO HB+ 132 LEU HN 4.50 (# 1931:10 Unique 2.33, 3.75 A)
&rst
ixpk= 1931, nxpk= 10, iat= -1,1980, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1973,1974,
&end
#
# 100 LEU MDX 38 VAL HN 5.50 (# 1932:10 Unique 4.75, 6.83 A)
&rst
ixpk= 1932, nxpk= 10, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1535,1536,1537,1539,1540,1541,
&end
#
# 0 AMB 10-2:1933 0 AMB 10-1:1933 6.50 (# 1933:10 Double Ambig)
&rst
ixpk= 1933, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1= 950,1434,1435,
igr2= 540, 541, 540, 541,
&end
#
# 61 TRP HH2 36 GLN HE2+ 3.50 (# 1935:10 Unique 3.06, 4.13 A)
&rst
ixpk= 1935, nxpk= 10, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 540, 541,
&end
#
# 37 PRO HD- 36 GLN HE2- 6.50 (# 1936:10 Unique 2.86, 5.46 A)
&rst
ixpk= 1936, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 546, 547,
igr2= 540, 541,
&end
#
# 0 AMB 10-2:1938 36 GLN HE2- 3.50 (# 1938:10 Single Ambig)
&rst
ixpk= 1938, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 535, 536, 535, 536,
igr2= 540, 541,
&end
#
# 99 ILE QD1 99 ILE HN 3.50 (# 1944:10 Unique 2.37, 3.32 A)
&rst
ixpk= 1944, nxpk= 10, iat= -1,1507, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1520,1521,1522,
&end
#
# 108 PHE HN 128 GLY HN 5.50 (# 1945:10 Unique 4.40, 4.98 A)
&rst
ixpk= 1945, nxpk= 10, iat=1638,1924, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 10-2:1946 108 PHE HN 6.50 (# 1946:10 Single Ambig)
&rst
ixpk= 1946, nxpk= 10, iat= -1,1638, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1662,1663,1662,1663,
&end
#
# 40 ILE HB 40 ILE HN 3.50 (# 1947:10 Unique 2.77, 2.85 A)
&rst
ixpk= 1947, nxpk= 10, iat= 586, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 10-2:1948 26 LEU HN 4.50 (# 1948:10 Single Ambig)
&rst
ixpk= 1948, nxpk= 10, iat= -1, 383, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 392, 393, 394, 396, 397, 398, 736, 737, 738,
&end
#
# 103 GLY HA- 102 ASP HN 4.50 (# 454:10 Unique )
&rst
ixpk= 454, nxpk= 10, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1569,1570,
&end
#
# 103 GLY HA+ 103 GLY HN 2.80 (# 469:10 Unique )
&rst
ixpk= 469, nxpk= 10, iat= -1,1567, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1569,1570,
&end
#
# 103 GLY HA+ 102 ASP HN 5.50 (# 456:10 Unique )
&rst
ixpk= 456, nxpk= 10, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1569,1570,
&end
#
# 103 GLY HA- 103 GLY HN 3.50 (# 467:10 Unique )
&rst
ixpk= 467, nxpk= 10, iat= -1,1567, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1569,1570,
&end
#
# 103 GLY HA+ 104 GLN HN 3.50 (# 482:10 Unique )
&rst
ixpk= 482, nxpk= 10, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1569,1570,
&end
#
# 103 GLY HA- 104 GLN HN 4.50 (# 480:10 Unique )
&rst
ixpk= 480, nxpk= 10, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1569,1570,
&end
#
# 104 GLN HG- 104 GLN HN 2.80 (# 1142:10 Unique )
&rst
ixpk= 1142, nxpk= 10, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1581,1582,
&end
#
# 104 GLN HN 104 GLN HE2+ 3.50 (# 479:10 Unique)
&rst
ixpk= 479, nxpk= 10, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1586,1587,
&end
#
# 110 LEU HN 111 LEU HN 4.50 (# 1316:10 Unique)
&rst
ixpk= 1316, nxpk= 10, iat=1669,1688, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 GLY HA- 116 GLY HN 2.80 (# 1303:10 Unique )
&rst
ixpk= 1303, nxpk= 10, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1760,1761,
&end
#
# 116 GLY HA- 117 THR HN 3.50 (# 603:10 Unique )
&rst
ixpk= 603, nxpk= 10, iat= -1,1765, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1760,1761,
&end
#
# 123 THR MG2 123 THR HN 4.50 (# 629:10 Unique)
&rst
ixpk= 629, nxpk= 10, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1859,1860,1861,
&end
#
# 125 VAL MGX 126 CYS HN 2.80 (# 648:10 Unique)
&rst
ixpk= 648, nxpk= 10, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1892,1893,1894,1896,1897,1898,
&end
#
# 128 GLY HA+ 127 SER HN 5.50 (# 1323:10 Unique )
&rst
ixpk= 1323, nxpk= 10, iat= -1,1913, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1926,1927,
&end
#
# 128 GLY HA- 128 GLY HN 2.80 (# 1447:10 Unique )
&rst
ixpk= 1447, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1926,1927,
&end
#
# 128 GLY HA+ 128 GLY HN 3.50 (# 1448:10 Unique )
&rst
ixpk= 1448, nxpk= 10, iat= -1,1924, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1926,1927,
&end
#
# 128 GLY HA- 129 SER HN 3.50 (# 683:10 Unique )
&rst
ixpk= 683, nxpk= 10, iat= -1,1931, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1926,1927,
&end
#
# 128 GLY HA+ 129 SER HN 3.50 (# 684:10 Unique )
&rst
ixpk= 684, nxpk= 10, iat= -1,1931, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1926,1927,
&end
#
# 141 ARG HG+ 141 ARG HN 4.50 (# 747:10 Unique)
&rst
ixpk= 747, nxpk= 10, iat= -1,2121, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2128,2129,
&end
#
# 15 GLU HB- 15 GLU HN 2.80 (# 70:10 Unique )
&rst
ixpk= 70, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 226, 227,
&end
#
# 17 ALA MB 18 ALA HN 2.80 (# 1513:10 Unique)
&rst
ixpk= 1513, nxpk= 10, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 255, 256, 257,
&end
#
# 19 ARG HB+ 19 ARG HN 2.80 (# 96:10 Unique)
&rst
ixpk= 96, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 275, 276,
&end
Contact the webmaster for help, if required. Monday, May 6, 2024 6:43:33 PM GMT (wattos1)