NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
280894 |
2kdv   |
cing | 1-original | 5 | AMBER | distance | NOE | ambi |
#
# 1 MET HB+ 1 MET HA 2.60 (# 0:20 Unique 2.34, 2.63 A)
&rst
ixpk= 0, nxpk= 20, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1= 8, 9,
&end
#
# 1 MET HG- 1 MET HA 5.50 (# 1:20 Unique 2.62, 3.57 A)
&rst
ixpk= 1, nxpk= 20, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 11, 12,
&end
#
# 1 MET HG+ 1 MET HA 5.50 (# 2:20 Unique 2.62, 3.57 A)
&rst
ixpk= 2, nxpk= 20, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 11, 12,
&end
#
# 22 VAL MGX 24 TRP HA 4.40 (# 3:20 Unique 4.36, 6.83 A)
&rst
ixpk= 3, nxpk= 20, iat= -1, 358, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 2 ILE HN 1 MET HA 4.40 (# 5:20 Unique 2.14, 2.29 A)
&rst
ixpk= 5, nxpk= 20, iat= 21, 6, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 1 MET HG- 1 MET HB+ 2.60 (# 6:20 Unique 2.21, 2.61 A)
&rst
ixpk= 6, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 1 MET HG+ 1 MET HB+ 2.60 (# 7:20 Unique 2.21, 2.61 A)
&rst
ixpk= 7, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 11, 12,
igr2= 8, 9,
&end
#
# 1 MET HA 1 MET HB+ 2.60 (# 8:20 Unique 2.34, 2.63 A)
&rst
ixpk= 8, nxpk= 20, iat= 6, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 8, 9,
&end
#
# 0 AMB 20-2:10 0 AMB 20-1:10 5.50 (# 10:20 Double Ambig)
&rst
ixpk= 10, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 644, 645,2214,
igr2= 8, 9,2460,2461,
&end
#
# 0 AMB 20-2:11 1 MET HG- 5.50 (# 11:20 Single Ambig)
&rst
ixpk= 11, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 132, 133, 108, 109, 108, 109,
igr2= 11, 12,
&end
#
# 0 AMB 20-2:12 0 AMB 20-1:12 4.40 (# 12:20 Double Ambig)
&rst
ixpk= 12, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1= 132, 133, 111, 112, 108, 109,
igr2= 11, 12, 11, 12, 11, 12,
&end
#
# 1 MET ME 1 MET HG+ 3.50 (# 13:20 Unique 2.08, 3.43 A)
&rst
ixpk= 13, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 15, 16, 17,
igr2= 11, 12,
&end
#
# 1 MET ME 1 MET HG- 3.50 (# 14:20 Unique 2.08, 3.43 A)
&rst
ixpk= 14, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 15, 16, 17,
igr2= 11, 12,
&end
#
# 0 AMB 20-2:15 0 AMB 20-1:15 2.60 (# 15:20 Double Ambig)
&rst
ixpk= 15, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1= 8, 9, 653, 654,
igr2= 11, 12, 11, 12,
&end
#
# 0 AMB 20-2:16 1 MET HG- 2.60 (# 16:20 Single Ambig)
&rst
ixpk= 16, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1= 8, 9, 653, 654,
igr2= 11, 12,
&end
#
# 9 PRO HD+ 1 MET HG+ 4.40 (# 17:20 Unique 2.38, 4.70 A)
&rst
ixpk= 17, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 129, 130,
igr2= 11, 12,
&end
#
# 0 AMB 20-2:18 0 AMB 20-1:18 4.40 (# 18:20 Double Ambig)
&rst
ixpk= 18, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 6, 23,
igr2= 11, 12, 11, 12,
&end
#
# 9 PRO HD+ 1 MET HG- 4.40 (# 19:20 Unique 2.38, 4.70 A)
&rst
ixpk= 19, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 129, 130,
igr2= 11, 12,
&end
#
# 0 AMB 20-2:20 1 MET HG- 4.40 (# 20:20 Single Ambig)
&rst
ixpk= 20, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 6, 23,
igr2= 11, 12,
&end
#
# 3 ASP HN 2 ILE HA 2.60 (# 21:20 Unique 2.14, 2.15 A)
&rst
ixpk= 21, nxpk= 20, iat= 40, 23, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 8 ARG HA 2 ILE HA 3.50 (# 22:20 Unique 2.44, 2.64 A)
&rst
ixpk= 22, nxpk= 20, iat= 106, 23, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 9 PRO HD+ 2 ILE HA 4.40 (# 24:20 Unique 3.40, 3.80 A)
&rst
ixpk= 24, nxpk= 20, iat= -1, 23, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 129, 130,
&end
#
# 2 ILE HN 2 ILE HA 5.50 (# 25:20 Unique 2.92, 2.94 A)
&rst
ixpk= 25, nxpk= 20, iat= 21, 23, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 3 ASP HB+ 2 ILE HA 5.50 (# 26:20 Unique 4.21, 4.94 A)
&rst
ixpk= 26, nxpk= 20, iat= -1, 23, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 44, 45,
&end
#
# 2 ILE HB 2 ILE HA 3.50 (# 27:20 Unique 2.92, 2.98 A)
&rst
ixpk= 27, nxpk= 20, iat= 25, 23, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:28 2 ILE HA 3.50 (# 28:20 Single Ambig)
&rst
ixpk= 28, nxpk= 20, iat= -1, 23, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 108, 109, 108, 109, 111, 112,
&end
#
# 2 ILE HG1- 2 ILE HA 4.40 (# 29:20 Unique 1.99, 2.60 A)
&rst
ixpk= 29, nxpk= 20, iat= -1, 23, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 31, 32,
&end
#
# 2 ILE HG1+ 2 ILE HA 3.50 (# 30:20 Unique 1.99, 2.60 A)
&rst
ixpk= 30, nxpk= 20, iat= -1, 23, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 31, 32,
&end
#
# 2 ILE QD1 2 ILE HA 3.50 (# 31:20 Unique 3.64, 4.36 A)
&rst
ixpk= 31, nxpk= 20, iat= -1, 23, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 34, 35, 36,
&end
#
# 2 ILE QG2 2 ILE HA 2.60 (# 32:20 Unique 2.58, 3.35 A)
&rst
ixpk= 32, nxpk= 20, iat= -1, 23, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr1= 27, 28, 29,
&end
#
# 2 ILE QG2 2 ILE HB 2.60 (# 33:20 Unique 2.32, 2.63 A)
&rst
ixpk= 33, nxpk= 20, iat= -1, 25, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr1= 27, 28, 29,
&end
#
# 2 ILE HG1+ 2 ILE HB 3.50 (# 34:20 Unique 2.69, 2.85 A)
&rst
ixpk= 34, nxpk= 20, iat= -1, 25, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 31, 32,
&end
#
# 2 ILE HG1- 2 ILE HB 3.50 (# 35:20 Unique 2.69, 2.85 A)
&rst
ixpk= 35, nxpk= 20, iat= -1, 25, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 31, 32,
&end
#
# 0 AMB 20-2:36 2 ILE HB 3.50 (# 36:20 Single Ambig)
&rst
ixpk= 36, nxpk= 20, iat= -1, 25, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 23, 78, 79, 6,
&end
#
# 2 ILE HN 2 ILE HB 5.50 (# 38:20 Unique 2.36, 2.48 A)
&rst
ixpk= 38, nxpk= 20, iat= 21, 25, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:39 2 ILE HB 5.50 (# 39:20 Single Ambig)
&rst
ixpk= 39, nxpk= 20, iat= -1, 25, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 40, 104,
&end
#
# 0 AMB 20-2:40 66 ARG HG- 3.50 (# 40:20 Single Ambig)
&rst
ixpk= 40, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1703,1045,
igr2=1028,1029,
&end
#
# 66 ARG HN 66 ARG HG- 4.40 (# 41:20 Unique 2.68, 3.70 A)
&rst
ixpk= 41, nxpk= 20, iat=1021, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1028,1029,
&end
#
# 83 LEU HN 83 LEU HG 3.50 (# 42:20 Unique 2.13, 2.96 A)
&rst
ixpk= 42, nxpk= 20, iat=1345,1352, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:43 0 AMB 20-1:43 4.40 (# 43:20 Double Ambig)
&rst
ixpk= 43, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1034,1364,
igr2=1028,1029,1352,
&end
#
# 83 LEU HA 83 LEU HG 3.50 (# 44:20 Unique 2.20, 3.04 A)
&rst
ixpk= 44, nxpk= 20, iat=1347,1352, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:47 2 ILE HG1- 3.50 (# 47:20 Single Ambig)
&rst
ixpk= 47, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 23, 78, 79,
igr2= 31, 32,
&end
#
# 0 AMB 20-2:48 0 AMB 20-1:48 3.50 (# 48:20 Double Ambig)
&rst
ixpk= 48, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 23, 78, 79,
igr2= 31, 32, 31, 32,
&end
#
# 66 ARG HD+ 66 ARG HG- 2.60 (# 49:20 Unique 2.22, 2.65 A)
&rst
ixpk= 49, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1031,1032,
igr2=1028,1029,
&end
#
# 92 CYS HB+ 2 ILE HG1+ 5.50 (# 50:20 Unique 1.94, 2.90 A)
&rst
ixpk= 50, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1510,1511,
igr2= 31, 32,
&end
#
# 8 ARG HB+ 2 ILE HG1- 2.60 (# 51:20 Unique 1.94, 3.44 A)
&rst
ixpk= 51, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 108, 109,
igr2= 31, 32,
&end
#
# 8 ARG HB+ 2 ILE HG1+ 5.50 (# 52:20 Unique 1.94, 3.44 A)
&rst
ixpk= 52, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 108, 109,
igr2= 31, 32,
&end
#
# 8 ARG HB- 2 ILE HG1+ 4.40 (# 53:20 Unique 1.94, 3.44 A)
&rst
ixpk= 53, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 108, 109,
igr2= 31, 32,
&end
#
# 0 AMB 20-2:54 0 AMB 20-1:54 2.60 (# 54:20 Double Ambig)
&rst
ixpk= 54, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.45, r4= 5.20,
igr1=1025,1026,1349,1350, 25,
igr2=1028,1029,1352, 31, 32,
&end
#
# 2 ILE HB 2 ILE HG1+ 2.60 (# 55:20 Unique 2.69, 2.85 A)
&rst
ixpk= 55, nxpk= 20, iat= 25, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 31, 32,
&end
#
# 0 AMB 20-2:56 0 AMB 20-1:56 2.60 (# 56:20 Double Ambig)
&rst
ixpk= 56, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.90, r4= 5.65,
igr1= 27, 28, 29,1354,1355,1356,1358,1359,1360,1354,
1355,1356,1358,1359,1360,
igr2= 31, 32,1352,
&end
#
# 2 ILE QG2 2 ILE HG1+ 2.60 (# 57:20 Unique 2.21, 3.26 A)
&rst
ixpk= 57, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 27, 28, 29,
igr2= 31, 32,
&end
#
# 68 LEU MDY 66 ARG HG- 2.60 (# 58:20 Unique 1.96, 4.29 A)
&rst
ixpk= 58, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1073,1074,1075,1077,1078,1079,
igr2=1028,1029,
&end
#
# 2 ILE QG2 2 ILE QD1 2.60 (# 59:20 Unique 2.96, 4.30 A)
&rst
ixpk= 59, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.75, r4= 4.50,
igr1= 27, 28, 29,
igr2= 34, 35, 36,
&end
#
# 2 ILE HG1+ 2 ILE QD1 2.60 (# 60:20 Unique 2.20, 2.62 A)
&rst
ixpk= 60, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 31, 32,
igr2= 34, 35, 36,
&end
#
# 2 ILE HG1- 2 ILE QD1 2.60 (# 61:20 Unique 2.20, 2.62 A)
&rst
ixpk= 61, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 31, 32,
igr2= 34, 35, 36,
&end
#
# 2 ILE HB 2 ILE QD1 3.50 (# 62:20 Unique 2.04, 2.86 A)
&rst
ixpk= 62, nxpk= 20, iat= 25, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 34, 35, 36,
&end
#
# 8 ARG HB- 2 ILE QD1 2.90 (# 63:20 Unique 3.16, 4.79 A)
&rst
ixpk= 63, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.91, r4= 4.66,
igr1= 108, 109,
igr2= 34, 35, 36,
&end
#
# 90 PRO HB+ 2 ILE QD1 5.50 (# 64:20 Unique 2.45, 4.65 A)
&rst
ixpk= 64, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1483,1484,
igr2= 34, 35, 36,
&end
#
# 92 CYS HB+ 2 ILE QD1 2.60 (# 65:20 Unique 2.24, 3.99 A)
&rst
ixpk= 65, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1510,1511,
igr2= 34, 35, 36,
&end
#
# 0 AMB 20-2:66 0 AMB 20-1:66 5.50 (# 66:20 Double Ambig)
&rst
ixpk= 66, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 114, 115, 708,
igr2= 34, 35, 36,1058,1059,1060,
&end
#
# 0 AMB 20-2:67 2 ILE QD1 5.50 (# 67:20 Single Ambig)
&rst
ixpk= 67, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1477,1478,1366,
igr2= 34, 35, 36,
&end
#
# 6 GLY HA- 2 ILE QD1 4.40 (# 68:20 Unique 3.82, 6.03 A)
&rst
ixpk= 68, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 78, 79,
igr2= 34, 35, 36,
&end
#
# 0 AMB 20-2:69 2 ILE QD1 3.50 (# 69:20 Single Ambig)
&rst
ixpk= 69, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 6, 23, 78, 79,
igr2= 34, 35, 36,
&end
#
# 0 AMB 20-2:70 0 AMB 20-1:70 5.50 (# 70:20 Double Ambig)
&rst
ixpk= 70, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1= 129, 130, 723, 689, 690,
igr2= 34, 35, 36,1058,1059,1060,
&end
#
# 8 ARG HA 2 ILE QD1 5.50 (# 72:20 Unique 5.10, 5.82 A)
&rst
ixpk= 72, nxpk= 20, iat= 106, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 34, 35, 36,
&end
#
# 0 AMB 20-2:73 2 ILE QD1 3.50 (# 73:20 Single Ambig)
&rst
ixpk= 73, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1506,1490,
igr2= 34, 35, 36,
&end
#
# 93 ILE HN 2 ILE QD1 5.50 (# 74:20 Unique 5.22, 6.56 A)
&rst
ixpk= 74, nxpk= 20, iat=1517, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 34, 35, 36,
&end
#
# 2 ILE HG1+ 2 ILE QG2 2.60 (# 76:20 Unique 2.21, 3.26 A)
&rst
ixpk= 76, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 31, 32,
igr2= 27, 28, 29,
&end
#
# 0 AMB 20-2:77 0 AMB 20-1:77 2.60 (# 77:20 Double Ambig)
&rst
ixpk= 77, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,
igr1= 31, 32, 924,
igr2= 27, 28, 29,1011,1012,1013,1015,1016,1017,
&end
#
# 2 ILE HB 2 ILE QG2 2.60 (# 78:20 Unique 2.32, 2.63 A)
&rst
ixpk= 78, nxpk= 20, iat= 25, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2= 27, 28, 29,
&end
#
# 65 VAL HB 65 VAL MGX 2.60 (# 79:20 Unique 2.22, 2.63 A)
&rst
ixpk= 79, nxpk= 20, iat=1009, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 90 PRO HB+ 2 ILE QG2 4.40 (# 80:20 Unique 3.51, 5.35 A)
&rst
ixpk= 80, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1483,1484,
igr2= 27, 28, 29,
&end
#
# 0 AMB 20-2:81 0 AMB 20-1:81 3.50 (# 81:20 Double Ambig)
&rst
ixpk= 81, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
igr1=1510,1511, 56, 57, 769, 770, 957, 958,
igr2= 27, 28, 29,1011,1012,1013,1015,1016,1017,
&end
#
# 64 ASP HB+ 65 VAL MGX 4.40 (# 82:20 Unique 2.82, 6.03 A)
&rst
ixpk= 82, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 997, 998,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 20-2:83 0 AMB 20-1:83 5.50 (# 83:20 Double Ambig)
&rst
ixpk= 83, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.53, r4=10.28,
igr1=1477,1478,1812,
igr2= 27, 28, 29,1011,1012,1013,1015,1016,1017,
&end
#
# 6 GLY HA- 2 ILE QG2 3.50 (# 84:20 Unique 1.96, 3.39 A)
&rst
ixpk= 84, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 78, 79,
igr2= 27, 28, 29,
&end
#
# 62 ARG HA 65 VAL MGX 3.50 (# 85:20 Unique 2.07, 5.07 A)
&rst
ixpk= 85, nxpk= 20, iat= 949, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 20-2:86 65 VAL MGX 4.40 (# 86:20 Single Ambig)
&rst
ixpk= 86, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1=1047, 767,1759,1760,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 20-2:87 2 ILE QG2 2.60 (# 87:20 Single Ambig)
&rst
ixpk= 87, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.75, r4= 4.50,
igr1= 78, 79, 23,
igr2= 27, 28, 29,
&end
#
# 0 AMB 20-2:90 0 AMB 20-1:90 4.40 (# 90:20 Double Ambig)
&rst
ixpk= 90, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1= 106,1667,
igr2= 27, 28, 29,1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 20-2:91 2 ILE QG2 2.60 (# 91:20 Single Ambig)
&rst
ixpk= 91, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 40, 52,
igr2= 27, 28, 29,
&end
#
# 0 AMB 20-2:92 0 AMB 20-1:92 5.50 (# 92:20 Double Ambig)
&rst
ixpk= 92, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1720,1517,
igr2=1011,1012,1013,1015,1016,1017, 27, 28, 29,
&end
#
# 65 VAL HA 65 VAL MGX 3.50 (# 93:20 Unique 1.94, 3.36 A)
&rst
ixpk= 93, nxpk= 20, iat=1007, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 51 TYR HE 65 VAL MGX 2.60 (# 94:20 Unique 3.72, 6.66 A)
&rst
ixpk= 94, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 775, 780,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 20-2:95 65 VAL MGX 5.50 (# 95:20 Single Ambig)
&rst
ixpk= 95, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
igr1= 773, 782,1034,1653,1661, 852, 860,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 65 VAL HN 65 VAL MGX 2.60 (# 96:20 Unique 2.34, 4.15 A)
&rst
ixpk= 96, nxpk= 20, iat=1005, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 64 ASP HN 65 VAL MGX 3.50 (# 97:20 Unique 3.34, 5.76 A)
&rst
ixpk= 97, nxpk= 20, iat= 993, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 20-2:99 60 LEU HA 3.50 (# 99:20 Single Ambig)
&rst
ixpk= 99, nxpk= 20, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
&end
#
# 1 MET ME 3 ASP HA 3.50 (# 100:20 Unique 2.07, 3.24 A)
&rst
ixpk= 100, nxpk= 20, iat= -1, 42, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 15, 16, 17,
&end
#
# 3 ASP HB+ 3 ASP HA 2.60 (# 101:20 Unique 2.34, 2.69 A)
&rst
ixpk= 101, nxpk= 20, iat= -1, 42, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 44, 45,
&end
#
# 0 AMB 20-2:102 3 ASP HA 5.50 (# 102:20 Single Ambig)
&rst
ixpk= 102, nxpk= 20, iat= -1, 42, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 23, 665, 666, 6,
&end
#
# 0 AMB 20-2:104 3 ASP HA 2.60 (# 104:20 Single Ambig)
&rst
ixpk= 104, nxpk= 20, iat= -1, 42, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 52, 40,
&end
#
# 61 SER HN 60 LEU HA 4.40 (# 105:20 Unique 2.26, 2.31 A)
&rst
ixpk= 105, nxpk= 20, iat= 936, 919, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 0 AMB 20-2:107 0 AMB 20-1:107 2.60 (# 107:20 Double Ambig)
&rst
ixpk= 107, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1= 52, 40,
igr2= 44, 45, 44, 45,
&end
#
# 5 ASP HN 3 ASP HB+ 5.50 (# 108:20 Unique 2.14, 3.39 A)
&rst
ixpk= 108, nxpk= 20, iat= 64, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 44, 45,
&end
#
# 3 ASP HA 3 ASP HB+ 2.60 (# 109:20 Unique 2.34, 2.69 A)
&rst
ixpk= 109, nxpk= 20, iat= 42, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 44, 45,
&end
#
# 0 AMB 20-2:110 0 AMB 20-1:110 3.50 (# 110:20 Double Ambig)
&rst
ixpk= 110, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 56, 57, 11, 12,
igr2= 44, 45, 44, 45,
&end
#
# 4 ASP HB- 4 ASP HA 2.60 (# 111:20 Unique 2.39, 2.79 A)
&rst
ixpk= 111, nxpk= 20, iat= -1, 54, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 56, 57,
&end
#
# 4 ASP HB+ 4 ASP HA 2.60 (# 112:20 Unique 2.39, 2.79 A)
&rst
ixpk= 112, nxpk= 20, iat= -1, 54, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 56, 57,
&end
#
# 3 ASP HB+ 4 ASP HA 4.40 (# 113:20 Unique 3.93, 5.03 A)
&rst
ixpk= 113, nxpk= 20, iat= -1, 54, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 44, 45,
&end
#
# 5 ASP HN 4 ASP HA 3.50 (# 114:20 Unique 3.17, 3.28 A)
&rst
ixpk= 114, nxpk= 20, iat= 64, 54, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 6 GLY HN 4 ASP HA 4.40 (# 115:20 Unique 3.53, 3.83 A)
&rst
ixpk= 115, nxpk= 20, iat= 76, 54, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 4 ASP HN 4 ASP HA 3.50 (# 116:20 Unique 2.79, 2.88 A)
&rst
ixpk= 116, nxpk= 20, iat= 52, 54, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 4 ASP HN 4 ASP HB+ 3.50 (# 117:20 Unique 2.25, 2.68 A)
&rst
ixpk= 117, nxpk= 20, iat= 52, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 56, 57,
&end
#
# 4 ASP HN 4 ASP HB- 3.50 (# 118:20 Unique 2.25, 2.68 A)
&rst
ixpk= 118, nxpk= 20, iat= 52, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 56, 57,
&end
#
# 5 ASP HN 4 ASP HB- 5.50 (# 119:20 Unique 1.74, 3.78 A)
&rst
ixpk= 119, nxpk= 20, iat= 64, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 56, 57,
&end
#
# 5 ASP HN 4 ASP HB+ 4.40 (# 120:20 Unique 1.74, 3.78 A)
&rst
ixpk= 120, nxpk= 20, iat= 64, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 56, 57,
&end
#
# 4 ASP HA 4 ASP HB+ 2.60 (# 121:20 Unique 2.39, 2.79 A)
&rst
ixpk= 121, nxpk= 20, iat= 54, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 56, 57,
&end
#
# 4 ASP HA 4 ASP HB- 2.60 (# 122:20 Unique 2.39, 2.79 A)
&rst
ixpk= 122, nxpk= 20, iat= 54, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 56, 57,
&end
#
# 35 PHE HA 35 PHE HB- 3.50 (# 123:20 Unique 2.36, 2.78 A)
&rst
ixpk= 123, nxpk= 20, iat= 553, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 555, 556,
&end
#
# 5 ASP HA 4 ASP HB+ 4.40 (# 124:20 Unique 4.08, 5.07 A)
&rst
ixpk= 124, nxpk= 20, iat= 66, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 56, 57,
&end
#
# 0 AMB 20-2:127 0 AMB 20-1:127 2.60 (# 127:20 Double Ambig)
&rst
ixpk= 127, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=1432,1433, 555, 556,
igr2=1430, 553,
&end
#
# 0 AMB 20-2:128 0 AMB 20-1:128 2.60 (# 128:20 Double Ambig)
&rst
ixpk= 128, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=1432,1433, 68, 69,
igr2=1430, 66,
&end
#
# 5 ASP HB+ 5 ASP HA 2.60 (# 129:20 Unique 2.32, 2.82 A)
&rst
ixpk= 129, nxpk= 20, iat= -1, 66, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 68, 69,
&end
#
# 0 AMB 20-2:130 87 ASP HA 4.40 (# 130:20 Single Ambig)
&rst
ixpk= 130, nxpk= 20, iat= -1,1430, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1442,1406,
&end
#
# 88 THR HN 87 ASP HA 3.50 (# 131:20 Unique 3.07, 3.10 A)
&rst
ixpk= 131, nxpk= 20, iat=1440,1430, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:132 0 AMB 20-1:132 3.50 (# 132:20 Double Ambig)
&rst
ixpk= 132, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 64, 534,1404,
igr2= 66, 553,1430,
&end
#
# 6 GLY HN 5 ASP HA 3.50 (# 133:20 Unique 3.08, 3.34 A)
&rst
ixpk= 133, nxpk= 20, iat= 76, 66, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 87 ASP HN 87 ASP HA 3.50 (# 134:20 Unique 2.82, 2.88 A)
&rst
ixpk= 134, nxpk= 20, iat=1428,1430, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 111 ILE QD1 108 ASP HB+ 5.50 (# 135:20 Unique 1.93, 3.50 A)
&rst
ixpk= 135, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1823,1824,1825,
igr2=1777,1778,
&end
#
# 143 VAL MGX 142 ASP HB+ 4.40 (# 136:20 Unique 3.82, 6.33 A)
&rst
ixpk= 136, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2358,2359,2360,2362,2363,2364,
igr2=2344,2345,
&end
#
# 0 AMB 20-2:137 0 AMB 20-1:137 4.40 (# 137:20 Double Ambig)
&rst
ixpk= 137, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=2356,2235,
igr2=2344,2345,2344,2345,
&end
#
# 142 ASP HA 142 ASP HB+ 2.60 (# 138:20 Unique 2.31, 2.72 A)
&rst
ixpk= 138, nxpk= 20, iat=2342, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2344,2345,
&end
#
# 5 ASP HA 5 ASP HB+ 2.60 (# 139:20 Unique 2.32, 2.82 A)
&rst
ixpk= 139, nxpk= 20, iat= 66, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 68, 69,
&end
#
# 5 ASP HA 5 ASP HB- 2.60 (# 140:20 Unique 2.32, 2.82 A)
&rst
ixpk= 140, nxpk= 20, iat= 66, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 68, 69,
&end
#
# 7 TYR HD 5 ASP HB+ 5.50 (# 141:20 Unique 2.73, 5.40 A)
&rst
ixpk= 141, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 91, 100,
igr2= 68, 69,
&end
#
# 73 ASN HD2- 73 ASN HB+ 3.50 (# 142:20 Unique 2.21, 3.39 A)
&rst
ixpk= 142, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1151,1152,
igr2=1146,1147,
&end
#
# 5 ASP HN 5 ASP HB+ 3.50 (# 144:20 Unique 2.11, 2.79 A)
&rst
ixpk= 144, nxpk= 20, iat= 64, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 68, 69,
&end
#
# 0 AMB 20-2:145 0 AMB 20-1:145 2.60 (# 145:20 Double Ambig)
&rst
ixpk= 145, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=2340, 76,
igr2=2344,2345, 68, 69,
&end
#
# 0 AMB 20-2:146 0 AMB 20-1:146 3.50 (# 146:20 Double Ambig)
&rst
ixpk= 146, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 76,1785,
igr2= 68, 69,1777,1778,
&end
#
# 0 AMB 20-2:147 0 AMB 20-1:147 2.60 (# 147:20 Double Ambig)
&rst
ixpk= 147, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=1773,1766,
igr2=1768,1769,1768,1769,
&end
#
# 0 AMB 20-2:148 0 AMB 20-1:148 2.60 (# 148:20 Double Ambig)
&rst
ixpk= 148, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1= 663,1517,
igr2= 665, 666, 78, 79,
&end
#
# 43 GLY HN 43 GLY HA+ 2.60 (# 149:20 Unique 2.37, 2.71 A)
&rst
ixpk= 149, nxpk= 20, iat= 663, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 665, 666,
&end
#
# 7 TYR HN 6 GLY HA+ 3.50 (# 150:20 Unique 2.95, 3.25 A)
&rst
ixpk= 150, nxpk= 20, iat= 83, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 78, 79,
&end
#
# 6 GLY HN 6 GLY HA- 3.50 (# 151:20 Unique 2.30, 2.65 A)
&rst
ixpk= 151, nxpk= 20, iat= 76, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 78, 79,
&end
#
# 6 GLY HN 6 GLY HA+ 2.60 (# 152:20 Unique 2.30, 2.65 A)
&rst
ixpk= 152, nxpk= 20, iat= 76, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 78, 79,
&end
#
# 44 GLU HN 43 GLY HA+ 3.50 (# 153:20 Unique 2.90, 3.25 A)
&rst
ixpk= 153, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 665, 666,
&end
#
# 44 GLU HN 43 GLY HA- 3.50 (# 154:20 Unique 2.90, 3.25 A)
&rst
ixpk= 154, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 665, 666,
&end
#
# 2 ILE QG2 6 GLY HA- 2.60 (# 157:20 Unique 1.96, 3.39 A)
&rst
ixpk= 157, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 27, 28, 29,
igr2= 78, 79,
&end
#
# 93 ILE QD1 6 GLY HA- 3.50 (# 158:20 Unique 1.98, 3.26 A)
&rst
ixpk= 158, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1530,1531,1532,
igr2= 78, 79,
&end
#
# 75 LEU HN 74 TRP HA 2.60 (# 159:20 Unique 2.14, 2.17 A)
&rst
ixpk= 159, nxpk= 20, iat=1180,1158, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 0 AMB 20-2:160 0 AMB 20-1:160 2.60 (# 160:20 Double Ambig)
&rst
ixpk= 160, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 104,1156,
igr2= 85,1158,
&end
#
# 130 TRP HN 130 TRP HA 3.50 (# 161:20 Unique 2.92, 2.94 A)
&rst
ixpk= 161, nxpk= 20, iat=2115,2117, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 130 TRP HB+ 130 TRP HA 3.50 (# 163:20 Unique 2.23, 2.75 A)
&rst
ixpk= 163, nxpk= 20, iat= -1,2117, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2119,2120,
&end
#
# 130 TRP HB- 130 TRP HA 3.50 (# 164:20 Unique 2.23, 2.75 A)
&rst
ixpk= 164, nxpk= 20, iat= -1,2117, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2119,2120,
&end
#
# 7 TYR HB+ 7 TYR HA 3.50 (# 165:20 Unique 2.63, 2.83 A)
&rst
ixpk= 165, nxpk= 20, iat= -1, 85, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 87, 88,
&end
#
# 0 AMB 20-2:166 0 AMB 20-1:166 4.40 (# 166:20 Double Ambig)
&rst
ixpk= 166, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1= 108, 109, 108, 109,2393,2394,2591,2592,2593,
igr2= 85,2117,
&end
#
# 133 VAL MGY 130 TRP HA 5.50 (# 167:20 Unique 1.99, 3.76 A)
&rst
ixpk= 167, nxpk= 20, iat= -1,2117, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2180,2181,2182,2184,2185,2186,
&end
#
# 7 TYR HA 7 TYR HB+ 5.50 (# 168:20 Unique 2.63, 2.83 A)
&rst
ixpk= 168, nxpk= 20, iat= 85, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 87, 88,
&end
#
# 7 TYR HD 7 TYR HB- 5.50 (# 169:20 Unique 2.31, 3.05 A)
&rst
ixpk= 169, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 91, 100,
igr2= 87, 88,
&end
#
# 7 TYR HD 7 TYR HB+ 4.40 (# 170:20 Unique 2.31, 3.05 A)
&rst
ixpk= 170, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 91, 100,
igr2= 87, 88,
&end
#
# 7 TYR HN 7 TYR HB+ 5.50 (# 171:20 Unique 2.12, 2.95 A)
&rst
ixpk= 171, nxpk= 20, iat= 83, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 87, 88,
&end
#
# 7 TYR HN 7 TYR HB- 5.50 (# 172:20 Unique 2.12, 2.95 A)
&rst
ixpk= 172, nxpk= 20, iat= 83, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 87, 88,
&end
#
# 0 AMB 20-2:174 0 AMB 20-1:174 2.60 (# 174:20 Double Ambig)
&rst
ixpk= 174, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.82, r4= 4.57,
igr1=1710,1711, 15, 16, 17,
igr2=1705, 106,
&end
#
# 0 AMB 20-2:175 8 ARG HA 2.60 (# 175:20 Single Ambig)
&rst
ixpk= 175, nxpk= 20, iat= -1, 106, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 108, 109, 111, 112,
&end
#
# 9 PRO HD+ 8 ARG HA 2.60 (# 176:20 Unique 1.91, 2.22 A)
&rst
ixpk= 176, nxpk= 20, iat= -1, 106, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 129, 130,
&end
#
# 103 GLN HB- 103 GLN HA 3.50 (# 177:20 Unique 2.24, 2.62 A)
&rst
ixpk= 177, nxpk= 20, iat= -1,1705, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1707,1708,
&end
#
# 0 AMB 20-2:178 8 ARG HA 4.40 (# 178:20 Single Ambig)
&rst
ixpk= 178, nxpk= 20, iat= -1, 106, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 104, 40,
&end
#
# 104 LEU HN 103 GLN HA 3.50 (# 179:20 Unique 2.14, 2.21 A)
&rst
ixpk= 179, nxpk= 20, iat=1720,1705, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 104 LEU HN 103 GLN HA 2.60 (# 180:20 Unique 2.14, 2.21 A)
&rst
ixpk= 180, nxpk= 20, iat=1720,1705, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 102 LEU HN 103 GLN HA 5.50 (# 181:20 Unique 4.71, 4.82 A)
&rst
ixpk= 181, nxpk= 20, iat=1684,1705, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 8 ARG HN 0 AMB 20-1:182 3.50 (# 182:20 Single Ambig)
&rst
ixpk= 182, nxpk= 20, iat= 104, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 108, 109, 108, 109,
&end
#
# 8 ARG HN 8 ARG HB+ 3.50 (# 183:20 Unique 2.34, 2.74 A)
&rst
ixpk= 183, nxpk= 20, iat= 104, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 108, 109,
&end
#
# 154 VAL HN 154 VAL HB 3.50 (# 184:20 Unique 2.39, 2.78 A)
&rst
ixpk= 184, nxpk= 20, iat=2548,2552, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 154 VAL HN 154 VAL HB 2.60 (# 185:20 Unique 2.39, 2.78 A)
&rst
ixpk= 185, nxpk= 20, iat=2548,2552, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 8 ARG HA 8 ARG HB+ 4.40 (# 186:20 Unique 2.33, 2.69 A)
&rst
ixpk= 186, nxpk= 20, iat= 106, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 108, 109,
&end
#
# 8 ARG HA 0 AMB 20-1:187 5.50 (# 187:20 Single Ambig)
&rst
ixpk= 187, nxpk= 20, iat= 106, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 108, 109, 108, 109,
&end
#
# 163 PRO HA 163 PRO HB- 2.60 (# 188:20 Unique 2.30, 2.51 A)
&rst
ixpk= 188, nxpk= 20, iat=2697, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2694,2695,
&end
#
# 154 VAL HA 154 VAL HB 3.50 (# 189:20 Unique 2.55, 2.97 A)
&rst
ixpk= 189, nxpk= 20, iat=2550,2552, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 163 PRO HD- 163 PRO HB- 3.50 (# 190:20 Unique 2.98, 3.70 A)
&rst
ixpk= 190, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2688,2689,
igr2=2694,2695,
&end
#
# 0 AMB 20-2:191 0 AMB 20-1:191 3.50 (# 191:20 Double Ambig)
&rst
ixpk= 191, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 114, 115, 114, 115,
igr2= 108, 109, 108, 109,
&end
#
# 0 AMB 20-2:192 0 AMB 20-1:192 3.50 (# 192:20 Double Ambig)
&rst
ixpk= 192, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 114, 115, 114, 115,
igr2= 108, 109, 108, 109,
&end
#
# 154 VAL MGX 154 VAL HB 2.60 (# 194:20 Unique 2.22, 2.63 A)
&rst
ixpk= 194, nxpk= 20, iat= -1,2552, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2554,2555,2556,2558,2559,2560,
&end
#
# 0 AMB 20-2:195 0 AMB 20-1:195 2.60 (# 195:20 Double Ambig)
&rst
ixpk= 195, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.90, r4= 5.65,
igr1=2554,2555,2556,2558,2559,2560, 34, 35, 36,
igr2=2552, 108, 109, 108, 109,
&end
#
# 101 LEU MDY 154 VAL HB 2.60 (# 196:20 Unique 1.92, 4.16 A)
&rst
ixpk= 196, nxpk= 20, iat= -1,2552, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 0 AMB 20-2:197 0 AMB 20-1:197 5.50 (# 197:20 Double Ambig)
&rst
ixpk= 197, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
igr1= 27, 28, 29,1275,1276,1277,1279,1280,1281,
igr2= 111, 112, 132, 133, 111, 112,
&end
#
# 95 GLN HB- 8 ARG HG+ 2.60 (# 198:20 Unique 3.00, 4.58 A)
&rst
ixpk= 198, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1547,1548,
igr2= 111, 112,
&end
#
# 8 ARG HD- 8 ARG HG+ 3.50 (# 200:20 Unique 2.22, 2.73 A)
&rst
ixpk= 200, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 114, 115,
igr2= 111, 112,
&end
#
# 8 ARG HD+ 8 ARG HG+ 3.50 (# 201:20 Unique 2.22, 2.73 A)
&rst
ixpk= 201, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 114, 115,
igr2= 111, 112,
&end
#
# 0 AMB 20-2:203 0 AMB 20-1:203 5.50 (# 203:20 Double Ambig)
&rst
ixpk= 203, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 104, 40,
igr2= 111, 112, 111, 112,
&end
#
# 10 ASN HN 8 ARG HG+ 5.50 (# 204:20 Unique 4.80, 5.57 A)
&rst
ixpk= 204, nxpk= 20, iat= 142, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 111, 112,
&end
#
# 0 AMB 20-2:205 0 AMB 20-1:205 5.50 (# 205:20 Double Ambig)
&rst
ixpk= 205, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 104,1506,
igr2= 114, 115, 114, 115,
&end
#
# 0 AMB 20-2:206 0 AMB 20-1:206 5.50 (# 206:20 Double Ambig)
&rst
ixpk= 206, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 104,1506, 40,2470,
igr2= 114, 115,2399,2400,
&end
#
# 0 AMB 20-2:207 0 AMB 20-1:207 3.50 (# 207:20 Double Ambig)
&rst
ixpk= 207, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2128,2413,
igr2=2399,2400,2399,2400,
&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= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=2316, 616,2123,
igr2=2399,2400, 114, 115,2399,2400,
&end
#
# 0 AMB 20-2:210 0 AMB 20-1:210 5.50 (# 210:20 Double Ambig)
&rst
ixpk= 210, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 151, 152,1555,1556,
igr2= 114, 115, 114, 115,
&end
#
# 0 AMB 20-2:211 8 ARG HD- 5.50 (# 211:20 Single Ambig)
&rst
ixpk= 211, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 151, 152,1555,1556,
igr2= 114, 115,
&end
#
# 95 GLN HE2+ 8 ARG HD+ 5.50 (# 212:20 Unique 3.72, 6.33 A)
&rst
ixpk= 212, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1555,1556,
igr2= 114, 115,
&end
#
# 0 AMB 20-2:214 0 AMB 20-1:214 3.50 (# 214:20 Double Ambig)
&rst
ixpk= 214, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2192, 23,
igr2=2399,2400, 114, 115,
&end
#
# 0 AMB 20-2:215 0 AMB 20-1:215 4.40 (# 215:20 Double Ambig)
&rst
ixpk= 215, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=2391,2265,
igr2=2399,2400,2399,2400,
&end
#
# 0 AMB 20-2:216 0 AMB 20-1:216 5.50 (# 216:20 Double Ambig)
&rst
ixpk= 216, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 6, 23,
igr2= 114, 115, 114, 115,
&end
#
# 0 AMB 20-2:217 0 AMB 20-1:217 4.40 (# 217:20 Double Ambig)
&rst
ixpk= 217, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1106,1519, 659,
igr2=1128,1129, 114, 115,
&end
#
# 9 PRO HD+ 8 ARG HD+ 5.50 (# 218:20 Unique 5.20, 6.36 A)
&rst
ixpk= 218, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 129, 130,
igr2= 114, 115,
&end
#
# 0 AMB 20-2:219 0 AMB 20-1:219 2.60 (# 219:20 Double Ambig)
&rst
ixpk= 219, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1= 111, 112, 108, 109,
igr2= 114, 115, 114, 115,
&end
#
# 0 AMB 20-2:220 0 AMB 20-1:220 2.60 (# 220:20 Double Ambig)
&rst
ixpk= 220, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=2393,2394, 111, 112, 108, 109,
igr2=2399,2400, 114, 115,
&end
#
# 95 GLN HB- 8 ARG HD+ 3.50 (# 221:20 Unique 3.84, 4.79 A)
&rst
ixpk= 221, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1547,1548,
igr2= 114, 115,
&end
#
# 2 ILE QD1 8 ARG HD+ 4.40 (# 222:20 Unique 3.10, 5.26 A)
&rst
ixpk= 222, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 34, 35, 36,
igr2= 114, 115,
&end
#
# 0 AMB 20-2:223 8 ARG HD- 3.50 (# 223:20 Single Ambig)
&rst
ixpk= 223, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.86, r4= 6.61,
igr1= 27, 28, 29,1275,1276,1277,1279,1280,1281,1567,
1568,
igr2= 114, 115,
&end
#
# 0 AMB 20-2:224 0 AMB 20-1:224 2.60 (# 224:20 Double Ambig)
&rst
ixpk= 224, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.96, r4= 5.71,
igr1=2180,2181,2182,2184,2185,2186,2180,2181,2182,2184,
2185,2186,
igr2=2399,2400,2399,2400,
&end
#
# 0 AMB 20-2:225 0 AMB 20-1:225 2.60 (# 225:20 Double Ambig)
&rst
ixpk= 225, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2396,2397,2197,2198,
igr2=2399,2400,2399,2400,
&end
#
# 0 AMB 20-2:226 0 AMB 20-1:226 2.60 (# 226:20 Double Ambig)
&rst
ixpk= 226, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2396,2397,2323,2324,
igr2=2399,2400,2399,2400,
&end
#
# 96 LYS HG+ 9 PRO HA 5.50 (# 227:20 Unique 1.98, 3.80 A)
&rst
ixpk= 227, nxpk= 20, iat= -1, 138, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1567,1568,
&end
#
# 9 PRO HB- 9 PRO HA 3.50 (# 228:20 Unique 2.30, 2.51 A)
&rst
ixpk= 228, nxpk= 20, iat= -1, 138, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 135, 136,
&end
#
# 0 AMB 20-2:229 9 PRO HA 4.40 (# 229:20 Single Ambig)
&rst
ixpk= 229, nxpk= 20, iat= -1, 138, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 135, 136,1573,1574,
&end
#
# 0 AMB 20-2:230 9 PRO HA 4.40 (# 230:20 Single Ambig)
&rst
ixpk= 230, nxpk= 20, iat= -1, 138, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 132, 133,1612,1613, 108, 109, 108, 109,
&end
#
# 10 ASN HN 9 PRO HA 3.50 (# 231:20 Unique 2.15, 2.19 A)
&rst
ixpk= 231, nxpk= 20, iat= 142, 138, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 LYS HN 9 PRO HA 5.50 (# 232:20 Unique 2.38, 2.64 A)
&rst
ixpk= 232, nxpk= 20, iat=1560, 138, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 40 ILE HN 9 PRO HA 5.50 (# 233:20 Unique 4.77, 4.98 A)
&rst
ixpk= 233, nxpk= 20, iat= 616, 138, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:234 81 LYS HB- 2.60 (# 234:20 Single Ambig)
&rst
ixpk= 234, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1306,1307,1368,
igr2=1303,1304,
&end
#
# 81 LYS HD+ 81 LYS HB- 2.60 (# 235:20 Unique 2.20, 3.42 A)
&rst
ixpk= 235, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1309,1310,
igr2=1303,1304,
&end
#
# 0 AMB 20-2:237 0 AMB 20-1:237 2.60 (# 237:20 Double Ambig)
&rst
ixpk= 237, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1= 592, 593, 132, 133,
igr2= 589, 590, 135, 136,
&end
#
# 81 LYS HA 81 LYS HB- 2.60 (# 238:20 Unique 2.26, 2.72 A)
&rst
ixpk= 238, nxpk= 20, iat=1301, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1303,1304,
&end
#
# 0 AMB 20-2:239 0 AMB 20-1:239 3.50 (# 239:20 Double Ambig)
&rst
ixpk= 239, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 151, 152,1171, 151, 152,
igr2= 135, 136, 135, 136, 589, 590,
&end
#
# 9 PRO HA 9 PRO HG- 5.50 (# 244:20 Unique 3.85, 3.94 A)
&rst
ixpk= 244, nxpk= 20, iat= 138, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 132, 133,
&end
#
# 9 PRO HA 9 PRO HG+ 5.50 (# 245:20 Unique 3.85, 3.94 A)
&rst
ixpk= 245, nxpk= 20, iat= 138, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 132, 133,
&end
#
# 163 PRO HA 163 PRO HG- 4.40 (# 246:20 Unique 3.85, 3.94 A)
&rst
ixpk= 246, nxpk= 20, iat=2697, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2691,2692,
&end
#
# 9 PRO HD+ 9 PRO HG- 2.60 (# 247:20 Unique 2.30, 2.58 A)
&rst
ixpk= 247, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 129, 130,
igr2= 132, 133,
&end
#
# 9 PRO HD+ 9 PRO HG+ 3.50 (# 248:20 Unique 2.30, 2.58 A)
&rst
ixpk= 248, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 129, 130,
igr2= 132, 133,
&end
#
# 163 PRO HD+ 163 PRO HG- 2.60 (# 249:20 Unique 2.30, 2.58 A)
&rst
ixpk= 249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2688,2689,
igr2=2691,2692,
&end
#
# 163 PRO HD- 163 PRO HG- 3.50 (# 250:20 Unique 2.30, 2.58 A)
&rst
ixpk= 250, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2688,2689,
igr2=2691,2692,
&end
#
# 9 PRO HB+ 9 PRO HG+ 3.50 (# 251:20 Unique 2.32, 2.58 A)
&rst
ixpk= 251, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 135, 136,
igr2= 132, 133,
&end
#
# 40 ILE HB 9 PRO HG+ 5.50 (# 253:20 Unique 2.00, 2.90 A)
&rst
ixpk= 253, nxpk= 20, iat= 620, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 132, 133,
&end
#
# 0 AMB 20-2:254 9 PRO HG- 4.40 (# 254:20 Single Ambig)
&rst
ixpk= 254, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 622, 623, 624, 629, 630, 631,
igr2= 132, 133,
&end
#
# 40 ILE QD1 9 PRO HG+ 4.40 (# 255:20 Unique 3.88, 5.24 A)
&rst
ixpk= 255, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 629, 630, 631,
igr2= 132, 133,
&end
#
# 0 AMB 20-2:256 0 AMB 20-1:256 2.60 (# 256:20 Double Ambig)
&rst
ixpk= 256, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1= 132, 133, 108, 109,
igr2= 129, 130, 129, 130,
&end
#
# 0 AMB 20-2:257 0 AMB 20-1:257 3.50 (# 257:20 Double Ambig)
&rst
ixpk= 257, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 135, 136, 87, 88,1573,1574,
igr2= 129, 130, 129, 130, 129, 130,
&end
#
# 9 PRO HG+ 9 PRO HD+ 3.50 (# 258:20 Unique 2.30, 2.58 A)
&rst
ixpk= 258, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 132, 133,
igr2= 129, 130,
&end
#
# 0 AMB 20-2:259 0 AMB 20-1:259 4.40 (# 259:20 Double Ambig)
&rst
ixpk= 259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 23, 6,
igr2= 129, 130, 129, 130,
&end
#
# 8 ARG HA 9 PRO HD+ 2.60 (# 261:20 Unique 1.91, 2.22 A)
&rst
ixpk= 261, nxpk= 20, iat= 106, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 129, 130,
&end
#
# 0 AMB 20-2:262 0 AMB 20-1:262 4.40 (# 262:20 Double Ambig)
&rst
ixpk= 262, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1= 40, 52, 104,
igr2= 129, 130, 129, 130, 129, 130,
&end
#
# 11 VAL HN 10 ASN HA 2.60 (# 263:20 Unique 2.20, 2.30 A)
&rst
ixpk= 263, nxpk= 20, iat= 156, 144, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 40 ILE HN 10 ASN HA 3.50 (# 264:20 Unique 1.97, 2.66 A)
&rst
ixpk= 264, nxpk= 20, iat= 616, 144, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 10 ASN HD2+ 10 ASN HA 4.40 (# 265:20 Unique 2.20, 3.07 A)
&rst
ixpk= 265, nxpk= 20, iat= -1, 144, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 151, 152,
&end
#
# 39 GLY HA+ 10 ASN HA 3.50 (# 266:20 Unique 1.82, 2.70 A)
&rst
ixpk= 266, nxpk= 20, iat= -1, 144, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 611, 612,
&end
#
# 39 GLY HA- 10 ASN HA 4.40 (# 267:20 Unique 1.82, 2.70 A)
&rst
ixpk= 267, nxpk= 20, iat= -1, 144, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 611, 612,
&end
#
# 10 ASN HB- 10 ASN HA 3.50 (# 268:20 Unique 2.67, 2.84 A)
&rst
ixpk= 268, nxpk= 20, iat= -1, 144, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 146, 147,
&end
#
# 10 ASN HB+ 10 ASN HA 4.40 (# 269:20 Unique 2.67, 2.84 A)
&rst
ixpk= 269, nxpk= 20, iat= -1, 144, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 146, 147,
&end
#
# 40 ILE HG1- 10 ASN HA 3.50 (# 270:20 Unique 2.59, 4.06 A)
&rst
ixpk= 270, nxpk= 20, iat= -1, 144, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 626, 627,
&end
#
# 40 ILE QD1 10 ASN HA 5.50 (# 271:20 Unique 3.95, 5.23 A)
&rst
ixpk= 271, nxpk= 20, iat= -1, 144, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 629, 630, 631,
&end
#
# 40 ILE HG1+ 10 ASN HA 5.50 (# 272:20 Unique 2.59, 4.06 A)
&rst
ixpk= 272, nxpk= 20, iat= -1, 144, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 626, 627,
&end
#
# 11 VAL MGX 10 ASN HA 5.50 (# 273:20 Unique 3.20, 5.07 A)
&rst
ixpk= 273, nxpk= 20, iat= -1, 144, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 11 VAL MGY 10 ASN HB- 5.50 (# 274:20 Unique 4.85, 6.53 A)
&rst
ixpk= 274, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 162, 163, 164, 166, 167, 168,
igr2= 146, 147,
&end
#
# 97 GLN HG+ 10 ASN HB- 3.50 (# 275:20 Unique 1.98, 3.58 A)
&rst
ixpk= 275, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1589,1590,
igr2= 146, 147,
&end
#
# 0 AMB 20-2:276 10 ASN HB- 3.50 (# 276:20 Single Ambig)
&rst
ixpk= 276, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1589,1590,1550,1551,
igr2= 146, 147,
&end
#
# 0 AMB 20-2:277 0 AMB 20-1:277 3.50 (# 277:20 Double Ambig)
&rst
ixpk= 277, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1589,1590,1550,1551,
igr2= 146, 147, 146, 147,
&end
#
# 97 GLN HG+ 10 ASN HB+ 3.50 (# 278:20 Unique 1.98, 3.58 A)
&rst
ixpk= 278, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1589,1590,
igr2= 146, 147,
&end
#
# 0 AMB 20-2:279 0 AMB 20-1:279 5.50 (# 279:20 Double Ambig)
&rst
ixpk= 279, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1586,1587, 135, 136,
igr2= 146, 147, 146, 147,
&end
#
# 10 ASN HA 10 ASN HB+ 3.50 (# 281:20 Unique 2.67, 2.84 A)
&rst
ixpk= 281, nxpk= 20, iat= 144, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 146, 147,
&end
#
# 10 ASN HA 10 ASN HB- 3.50 (# 282:20 Unique 2.67, 2.84 A)
&rst
ixpk= 282, nxpk= 20, iat= 144, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 146, 147,
&end
#
# 10 ASN HD2- 10 ASN HB- 5.50 (# 283:20 Unique 2.46, 3.47 A)
&rst
ixpk= 283, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 151, 152,
igr2= 146, 147,
&end
#
# 10 ASN HD2- 10 ASN HB+ 5.50 (# 284:20 Unique 2.46, 3.47 A)
&rst
ixpk= 284, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 151, 152,
igr2= 146, 147,
&end
#
# 10 ASN HD2+ 10 ASN HB- 5.50 (# 285:20 Unique 2.46, 3.47 A)
&rst
ixpk= 285, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 151, 152,
igr2= 146, 147,
&end
#
# 10 ASN HD2+ 10 ASN HB+ 4.40 (# 286:20 Unique 2.46, 3.47 A)
&rst
ixpk= 286, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 151, 152,
igr2= 146, 147,
&end
#
# 0 AMB 20-2:287 10 ASN HB- 5.50 (# 287:20 Single Ambig)
&rst
ixpk= 287, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1560, 602,
igr2= 146, 147,
&end
#
# 11 VAL HN 10 ASN HB- 3.50 (# 288:20 Unique 2.67, 3.49 A)
&rst
ixpk= 288, nxpk= 20, iat= 156, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 146, 147,
&end
#
# 11 VAL HN 10 ASN HB+ 4.40 (# 289:20 Unique 2.67, 3.49 A)
&rst
ixpk= 289, nxpk= 20, iat= 156, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 146, 147,
&end
#
# 10 ASN HN 10 ASN HB+ 5.50 (# 290:20 Unique 2.43, 3.06 A)
&rst
ixpk= 290, nxpk= 20, iat= 142, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 146, 147,
&end
#
# 10 ASN HN 10 ASN HB- 5.50 (# 291:20 Unique 2.43, 3.06 A)
&rst
ixpk= 291, nxpk= 20, iat= 142, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 146, 147,
&end
#
# 11 VAL HN 11 VAL HA 4.40 (# 292:20 Unique 2.93, 2.94 A)
&rst
ixpk= 292, nxpk= 20, iat= 156, 158, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 98 LYS HN 11 VAL HA 3.50 (# 293:20 Unique 2.30, 2.58 A)
&rst
ixpk= 293, nxpk= 20, iat=1599, 158, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 12 GLY HN 11 VAL HA 2.60 (# 294:20 Unique 2.19, 2.25 A)
&rst
ixpk= 294, nxpk= 20, iat= 172, 158, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 0 AMB 20-2:295 11 VAL HA 5.50 (# 295:20 Single Ambig)
&rst
ixpk= 295, nxpk= 20, iat= -1, 158, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1653,1661,1171,
&end
#
# 97 GLN HA 11 VAL HA 5.50 (# 296:20 Unique 3.95, 4.30 A)
&rst
ixpk= 296, nxpk= 20, iat=1584, 158, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 11 VAL HB 11 VAL HA 3.50 (# 297:20 Unique 2.61, 2.74 A)
&rst
ixpk= 297, nxpk= 20, iat= 160, 158, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:298 11 VAL HA 5.50 (# 298:20 Single Ambig)
&rst
ixpk= 298, nxpk= 20, iat= -1, 158, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 626, 627, 700, 701, 702, 742, 743, 744,
&end
#
# 11 VAL MGY 11 VAL HA 2.60 (# 299:20 Unique 2.05, 3.29 A)
&rst
ixpk= 299, nxpk= 20, iat= -1, 158, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 98 LYS HB+ 11 VAL HA 5.50 (# 300:20 Unique 1.94, 2.99 A)
&rst
ixpk= 300, nxpk= 20, iat= -1, 158, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1603,1604,
&end
#
# 11 VAL MGX 11 VAL HA 3.50 (# 301:20 Unique 2.05, 3.29 A)
&rst
ixpk= 301, nxpk= 20, iat= -1, 158, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 11 VAL MGX 11 VAL HB 2.60 (# 302:20 Unique 2.26, 2.63 A)
&rst
ixpk= 302, nxpk= 20, iat= -1, 160, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 11 VAL MGY 11 VAL HB 2.60 (# 303:20 Unique 2.26, 2.63 A)
&rst
ixpk= 303, nxpk= 20, iat= -1, 160, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:304 11 VAL HB 5.50 (# 304:20 Single Ambig)
&rst
ixpk= 304, nxpk= 20, iat= -1, 160, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 192, 193, 194,1606,1607, 189, 190,
&end
#
# 98 LYS HB+ 11 VAL HB 3.50 (# 305:20 Unique 3.64, 4.71 A)
&rst
ixpk= 305, nxpk= 20, iat= -1, 160, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1603,1604,
&end
#
# 0 AMB 20-2:306 11 VAL HB 3.50 (# 306:20 Single Ambig)
&rst
ixpk= 306, nxpk= 20, iat= -1, 160, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 626, 627, 742, 743, 744,
&end
#
# 11 VAL HA 11 VAL HB 2.60 (# 307:20 Unique 2.61, 2.74 A)
&rst
ixpk= 307, nxpk= 20, iat= 158, 160, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 0 AMB 20-2:308 11 VAL HB 3.50 (# 308:20 Single Ambig)
&rst
ixpk= 308, nxpk= 20, iat= -1, 160, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1653,1661, 773, 782,
&end
#
# 12 GLY HN 11 VAL HB 3.50 (# 309:20 Unique 2.63, 3.29 A)
&rst
ixpk= 309, nxpk= 20, iat= 172, 160, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 11 VAL HN 11 VAL HB 5.50 (# 310:20 Unique 2.53, 3.36 A)
&rst
ixpk= 310, nxpk= 20, iat= 156, 160, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 MET HA 11 VAL MGX 3.50 (# 312:20 Unique 1.95, 4.16 A)
&rst
ixpk= 312, nxpk= 20, iat= 750, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:313 11 VAL MGX 4.40 (# 313:20 Single Ambig)
&rst
ixpk= 313, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 158, 144,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:314 11 VAL MGX 3.50 (# 314:20 Single Ambig)
&rst
ixpk= 314, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1653,1661, 773, 782,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 12 GLY HN 11 VAL MGX 4.40 (# 315:20 Unique 2.38, 4.33 A)
&rst
ixpk= 315, nxpk= 20, iat= 172, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 11 VAL HN 11 VAL MGY 3.50 (# 316:20 Unique 2.21, 3.81 A)
&rst
ixpk= 316, nxpk= 20, iat= 156, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 38 GLY HN 11 VAL MGY 4.40 (# 317:20 Unique 1.98, 5.33 A)
&rst
ixpk= 317, nxpk= 20, iat= 602, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 50 MET HN 11 VAL MGY 3.50 (# 318:20 Unique 2.97, 4.60 A)
&rst
ixpk= 318, nxpk= 20, iat= 748, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 49 ALA HN 11 VAL MGY 3.50 (# 319:20 Unique 4.29, 6.10 A)
&rst
ixpk= 319, nxpk= 20, iat= 738, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 12 GLY HN 11 VAL MGY 3.50 (# 320:20 Unique 2.38, 4.33 A)
&rst
ixpk= 320, nxpk= 20, iat= 172, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:321 11 VAL MGY 3.50 (# 321:20 Single Ambig)
&rst
ixpk= 321, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1653,1661,1171,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 100 PHE HE 11 VAL MGY 3.50 (# 322:20 Unique 4.37, 8.76 A)
&rst
ixpk= 322, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1655,1659,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 11 VAL HA 11 VAL MGY 2.60 (# 323:20 Unique 2.05, 3.29 A)
&rst
ixpk= 323, nxpk= 20, iat= 158, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:325 11 VAL MGY 3.50 (# 325:20 Single Ambig)
&rst
ixpk= 325, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 611, 612, 604, 605,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 46 ALA HA 11 VAL MGY 2.60 (# 326:20 Unique 2.69, 4.54 A)
&rst
ixpk= 326, nxpk= 20, iat= 698, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 50 MET HA 11 VAL MGY 4.40 (# 327:20 Unique 1.95, 4.16 A)
&rst
ixpk= 327, nxpk= 20, iat= 750, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:328 11 VAL MGY 4.40 (# 328:20 Single Ambig)
&rst
ixpk= 328, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
igr1= 674, 675,1589,1590, 883, 884,1586,1587,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 98 LYS HG+ 11 VAL MGY 3.50 (# 330:20 Unique 1.96, 5.21 A)
&rst
ixpk= 330, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1606,1607,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 98 LYS HB- 11 VAL MGY 4.40 (# 331:20 Unique 1.97, 4.54 A)
&rst
ixpk= 331, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1603,1604,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 11 VAL HB 11 VAL MGY 2.60 (# 332:20 Unique 2.26, 2.63 A)
&rst
ixpk= 332, nxpk= 20, iat= 160, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:333 11 VAL MGY 2.60 (# 333:20 Single Ambig)
&rst
ixpk= 333, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 626, 627, 742, 743, 744,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:334 0 AMB 20-1:334 4.40 (# 334:20 Double Ambig)
&rst
ixpk= 334, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
igr1= 185, 186, 187, 227, 228, 229, 834, 835, 836, 838,
839, 840,
igr2= 174, 175, 174, 175, 174, 175, 174, 175,
&end
#
# 37 GLN HA 0 AMB 20-1:335 5.50 (# 335:20 Single Ambig)
&rst
ixpk= 335, nxpk= 20, iat= 587, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 174, 175, 174, 175,
&end
#
# 13 ILE HN 13 ILE HB 4.40 (# 341:20 Unique 2.50, 2.79 A)
&rst
ixpk= 341, nxpk= 20, iat= 179, 183, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 0 AMB 20-2:343 13 ILE HB 2.60 (# 343:20 Single Ambig)
&rst
ixpk= 343, nxpk= 20, iat= -1, 183, r1= 0.00, r2= 1.80, r3= 3.88, r4= 4.63,
igr1= 185, 186, 187, 834, 835, 836, 838, 839, 840, 224,
225,
&end
#
# 0 AMB 20-2:344 13 ILE HB 3.50 (# 344:20 Single Ambig)
&rst
ixpk= 344, nxpk= 20, iat= -1, 183, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 192, 193, 194, 189, 190,
&end
#
# 0 AMB 20-2:345 13 ILE HG1- 3.50 (# 345:20 Single Ambig)
&rst
ixpk= 345, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 185, 186, 187, 834, 835, 836, 838, 839, 840,
igr2= 189, 190,
&end
#
# 0 AMB 20-2:346 0 AMB 20-1:346 2.60 (# 346:20 Double Ambig)
&rst
ixpk= 346, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 185, 186, 187, 834, 835, 836, 838, 839, 840, 834,
835, 836, 838, 839, 840,
igr2= 189, 190, 189, 190, 189, 190,
&end
#
# 13 ILE HN 13 ILE HG1- 5.50 (# 347:20 Unique 1.85, 3.22 A)
&rst
ixpk= 347, nxpk= 20, iat= 179, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 189, 190,
&end
#
# 54 LEU HN 13 ILE QD1 4.40 (# 348:20 Unique 3.34, 4.66 A)
&rst
ixpk= 348, nxpk= 20, iat= 825, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2= 192, 193, 194,
&end
#
# 0 AMB 20-2:349 13 ILE QD1 4.40 (# 349:20 Single Ambig)
&rst
ixpk= 349, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 602, 879,
igr2= 192, 193, 194,
&end
#
# 0 AMB 20-2:350 13 ILE QD1 5.50 (# 350:20 Single Ambig)
&rst
ixpk= 350, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 748, 786,
igr2= 192, 193, 194,
&end
#
# 13 ILE HN 13 ILE QD1 4.40 (# 351:20 Unique 1.99, 3.51 A)
&rst
ixpk= 351, nxpk= 20, iat= 179, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2= 192, 193, 194,
&end
#
# 7 TYR HE 93 ILE QD1 3.50 (# 353:20 Unique 3.00, 5.84 A)
&rst
ixpk= 353, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 93, 98,
igr2=1530,1531,1532,
&end
#
# 7 TYR HD 93 ILE QD1 4.40 (# 354:20 Unique 2.56, 5.56 A)
&rst
ixpk= 354, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 91, 100,
igr2=1530,1531,1532,
&end
#
# 50 MET HA 13 ILE QD1 4.40 (# 356:20 Unique 2.80, 3.69 A)
&rst
ixpk= 356, nxpk= 20, iat= 750, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2= 192, 193, 194,
&end
#
# 0 AMB 20-2:357 0 AMB 20-1:357 3.50 (# 357:20 Double Ambig)
&rst
ixpk= 357, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 78, 79, 827,
igr2=1530,1531,1532, 192, 193, 194,
&end
#
# 57 GLU HG+ 13 ILE QD1 4.40 (# 358:20 Unique 2.28, 4.94 A)
&rst
ixpk= 358, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 886, 887,
igr2= 192, 193, 194,
&end
#
# 0 AMB 20-2:359 13 ILE QD1 2.60 (# 359:20 Single Ambig)
&rst
ixpk= 359, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.08, r4= 4.83,
igr1= 755, 756, 183, 829, 830,
igr2= 192, 193, 194,
&end
#
# 54 LEU HB+ 13 ILE QD1 2.60 (# 360:20 Unique 2.52, 4.85 A)
&rst
ixpk= 360, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 829, 830,
igr2= 192, 193, 194,
&end
#
# 13 ILE HG1- 13 ILE QD1 2.60 (# 362:20 Unique 2.20, 2.62 A)
&rst
ixpk= 362, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 189, 190,
igr2= 192, 193, 194,
&end
#
# 0 AMB 20-2:364 13 ILE QG2 2.60 (# 364:20 Single Ambig)
&rst
ixpk= 364, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.08, r4= 4.83,
igr1= 192, 193, 194, 189, 190,
igr2= 185, 186, 187,
&end
#
# 0 AMB 20-2:365 13 ILE QG2 2.60 (# 365:20 Single Ambig)
&rst
ixpk= 365, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.08, r4= 4.83,
igr1= 189, 190, 350, 351, 352,
igr2= 185, 186, 187,
&end
#
# 0 AMB 20-2:366 13 ILE QG2 3.50 (# 366:20 Single Ambig)
&rst
ixpk= 366, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 829, 830, 755, 756, 183,
igr2= 185, 186, 187,
&end
#
# 0 AMB 20-2:367 0 AMB 20-1:367 3.50 (# 367:20 Double Ambig)
&rst
ixpk= 367, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
igr1= 578, 579, 975, 976,1707,1708, 160,1799,1800,
igr2= 185, 186, 187,1745,1746,1747,1749,1750,1751,
&end
#
# 0 AMB 20-2:368 13 ILE QG2 3.50 (# 368:20 Single Ambig)
&rst
ixpk= 368, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 829, 830, 817, 818,
igr2= 185, 186, 187,
&end
#
# 0 AMB 20-2:369 0 AMB 20-1:369 2.60 (# 369:20 Double Ambig)
&rst
ixpk= 369, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,
igr1=1743, 575, 576,
igr2=1745,1746,1747,1749,1750,1751, 185, 186, 187,
&end
#
# 0 AMB 20-2:370 13 ILE QG2 5.50 (# 370:20 Single Ambig)
&rst
ixpk= 370, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 886, 887, 898,
igr2= 185, 186, 187,
&end
#
# 100 PHE HB+ 13 ILE QG2 5.50 (# 371:20 Unique 4.58, 6.40 A)
&rst
ixpk= 371, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1649,1650,
igr2= 185, 186, 187,
&end
#
# 66 ARG HD+ 105 VAL MGX 4.40 (# 372:20 Unique 2.00, 4.95 A)
&rst
ixpk= 372, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1031,1032,
igr2=1745,1746,1747,1749,1750,1751,
&end
#
# 50 MET HA 11 VAL MGX 2.60 (# 373:20 Unique 1.95, 4.16 A)
&rst
ixpk= 373, nxpk= 20, iat= 750, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 106 SER HB- 105 VAL MGX 5.50 (# 374:20 Unique 3.01, 6.05 A)
&rst
ixpk= 374, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1759,1760,
igr2=1745,1746,1747,1749,1750,1751,
&end
#
# 106 SER HB+ 105 VAL MGX 4.40 (# 375:20 Unique 3.01, 6.05 A)
&rst
ixpk= 375, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1759,1760,
igr2=1745,1746,1747,1749,1750,1751,
&end
#
# 0 AMB 20-2:376 0 AMB 20-1:376 4.40 (# 376:20 Double Ambig)
&rst
ixpk= 376, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.55, r4= 9.30,
igr1= 973, 174, 175, 358,1768,1769,
igr2=1745,1746,1747,1749,1750,1751, 185, 186, 187,
&end
#
# 105 VAL HA 105 VAL MGX 2.60 (# 377:20 Unique 2.26, 3.31 A)
&rst
ixpk= 377, nxpk= 20, iat=1741, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1745,1746,1747,1749,1750,1751,
&end
#
# 65 VAL HA 105 VAL MGX 2.60 (# 379:20 Unique 2.01, 4.50 A)
&rst
ixpk= 379, nxpk= 20, iat=1007, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1745,1746,1747,1749,1750,1751,
&end
#
# 0 AMB 20-2:380 11 VAL MGX 3.50 (# 380:20 Single Ambig)
&rst
ixpk= 380, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 158, 144,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:381 0 AMB 20-1:381 4.40 (# 381:20 Double Ambig)
&rst
ixpk= 381, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1=1623, 138,
igr2= 162, 163, 164, 166, 167, 168, 185, 186, 187,
&end
#
# 0 AMB 20-2:382 0 AMB 20-1:382 3.50 (# 382:20 Double Ambig)
&rst
ixpk= 382, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1653,1661, 773, 782,
igr2= 162, 163, 164, 166, 167, 168, 185, 186, 187,
&end
#
# 65 VAL HN 105 VAL MGX 3.50 (# 383:20 Unique 2.91, 5.09 A)
&rst
ixpk= 383, nxpk= 20, iat=1005, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1745,1746,1747,1749,1750,1751,
&end
#
# 106 SER HN 105 VAL MGX 3.50 (# 384:20 Unique 1.97, 4.04 A)
&rst
ixpk= 384, nxpk= 20, iat=1755, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1745,1746,1747,1749,1750,1751,
&end
#
# 0 AMB 20-2:385 0 AMB 20-1:385 3.50 (# 385:20 Double Ambig)
&rst
ixpk= 385, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 179, 993,
igr2= 185, 186, 187,1745,1746,1747,1749,1750,1751,
&end
#
# 50 MET HN 11 VAL MGX 3.50 (# 386:20 Unique 2.97, 4.60 A)
&rst
ixpk= 386, nxpk= 20, iat= 748, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:387 105 VAL MGX 3.50 (# 387:20 Single Ambig)
&rst
ixpk= 387, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1021,1766,
igr2=1745,1746,1747,1749,1750,1751,
&end
#
# 38 GLY HN 11 VAL MGX 3.50 (# 388:20 Unique 1.98, 5.33 A)
&rst
ixpk= 388, nxpk= 20, iat= 602, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 105 VAL HN 105 VAL MGX 2.60 (# 389:20 Unique 1.95, 3.67 A)
&rst
ixpk= 389, nxpk= 20, iat=1739, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1745,1746,1747,1749,1750,1751,
&end
#
# 14 VAL HN 13 ILE QG2 2.60 (# 390:20 Unique 2.79, 3.90 A)
&rst
ixpk= 390, nxpk= 20, iat= 198, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2= 185, 186, 187,
&end
#
# 0 AMB 20-2:391 0 AMB 20-1:391 2.60 (# 391:20 Double Ambig)
&rst
ixpk= 391, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1= 156, 214,
igr2= 162, 163, 164, 166, 167, 168, 185, 186, 187,
&end
#
# 15 ILE HN 14 VAL HA 3.50 (# 392:20 Unique 2.16, 2.20 A)
&rst
ixpk= 392, nxpk= 20, iat= 214, 200, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 138 SER HN 138 SER HA 4.40 (# 393:20 Unique 2.76, 2.82 A)
&rst
ixpk= 393, nxpk= 20, iat=2263,2265, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 14 VAL HB 14 VAL HA 5.50 (# 394:20 Unique 3.00, 3.01 A)
&rst
ixpk= 394, nxpk= 20, iat= 202, 200, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 VAL MGY 14 VAL HA 3.50 (# 395:20 Unique 2.16, 3.12 A)
&rst
ixpk= 395, nxpk= 20, iat= -1, 200, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 14 VAL MGX 14 VAL HA 3.50 (# 396:20 Unique 2.16, 3.12 A)
&rst
ixpk= 396, nxpk= 20, iat= -1, 200, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 14 VAL MGX 14 VAL HB 3.50 (# 397:20 Unique 2.22, 2.63 A)
&rst
ixpk= 397, nxpk= 20, iat= -1, 202, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 14 VAL MGY 14 VAL HB 2.60 (# 398:20 Unique 2.22, 2.63 A)
&rst
ixpk= 398, nxpk= 20, iat= -1, 202, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 20-2:399 0 AMB 20-1:399 4.40 (# 399:20 Double Ambig)
&rst
ixpk= 399, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.91, r4= 7.66,
igr1= 25,2457,2458,2496,2497,
igr2= 108, 109, 202,
&end
#
# 0 AMB 20-2:400 0 AMB 20-1:400 3.50 (# 400:20 Double Ambig)
&rst
ixpk= 400, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 812,1538,1539,
igr2= 817, 818,1547,1548,
&end
#
# 101 LEU HA 14 VAL HB 3.50 (# 401:20 Unique 1.97, 2.48 A)
&rst
ixpk= 401, nxpk= 20, iat=1667, 202, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 95 GLN HA 0 AMB 20-1:402 5.50 (# 402:20 Single Ambig)
&rst
ixpk= 402, nxpk= 20, iat=1545, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1547,1548, 108, 109,
&end
#
# 0 AMB 20-2:403 0 AMB 20-1:403 3.50 (# 403:20 Double Ambig)
&rst
ixpk= 403, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2515,2523,1872,1873,
igr2= 202,1934,1935,
&end
#
# 86 TRP HZ2 81 LYS HB+ 5.50 (# 404:20 Unique 1.85, 3.46 A)
&rst
ixpk= 404, nxpk= 20, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1303,1304,
&end
#
# 0 AMB 20-2:405 0 AMB 20-1:405 3.50 (# 405:20 Double Ambig)
&rst
ixpk= 405, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1941, 104,
igr2=1934,1935,1547,1548,
&end
#
# 14 VAL HN 14 VAL HB 3.50 (# 406:20 Unique 2.69, 2.80 A)
&rst
ixpk= 406, nxpk= 20, iat= 198, 202, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:407 0 AMB 20-1:407 2.60 (# 407:20 Double Ambig)
&rst
ixpk= 407, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.10, r4= 7.85,
igr1= 329, 330, 331, 333, 334, 335,1370,1371,1372,1374,
1375,1376,1275,1276,1277,1279,1280,1281,1567,1568,
1354,1355,1356,1358,1359,1360,1354,1355,1356,1358,
1359,1360,
igr2= 202,1303,1304,1547,1548,1547,1548,1303,1304,1303,
1304,1303,1304,
&end
#
# 0 AMB 20-2:408 0 AMB 20-1:408 3.50 (# 408:20 Double Ambig)
&rst
ixpk= 408, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.76, r4= 8.51,
igr1=1669,1670,1073,1074,1075,1077,1078,1079,1496,1497,
1498,1500,1501,1502,1919,1920,1921,
igr2= 202,1303,1304,1303,1304,1934,1935,
&end
#
# 22 VAL MGY 14 VAL MGY 2.60 (# 409:20 Unique 2.00, 5.55 A)
&rst
ixpk= 409, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 329, 330, 331, 333, 334, 335,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 148 MET ME 14 VAL MGY 3.50 (# 410:20 Unique 2.91, 5.57 A)
&rst
ixpk= 410, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2464,2465,2466,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 14 VAL HB 14 VAL MGY 2.60 (# 412:20 Unique 2.22, 2.63 A)
&rst
ixpk= 412, nxpk= 20, iat= 202, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 22 VAL HB 14 VAL MGY 3.50 (# 413:20 Unique 2.54, 5.72 A)
&rst
ixpk= 413, nxpk= 20, iat= 327, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 20-2:414 14 VAL MGY 5.50 (# 414:20 Single Ambig)
&rst
ixpk= 414, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 237, 238,2098,2099,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 14 VAL HA 14 VAL MGY 3.50 (# 415:20 Unique 2.16, 3.12 A)
&rst
ixpk= 415, nxpk= 20, iat= 200, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 101 LEU HA 14 VAL MGY 5.50 (# 416:20 Unique 3.32, 4.68 A)
&rst
ixpk= 416, nxpk= 20, iat=1667, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 129 TYR HD 14 VAL MGY 5.50 (# 417:20 Unique 4.96, 9.61 A)
&rst
ixpk= 417, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2102,2111,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 22 VAL HA 14 VAL MGY 5.50 (# 418:20 Unique 3.67, 6.17 A)
&rst
ixpk= 418, nxpk= 20, iat= 325, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 20-2:419 14 VAL MGY 5.50 (# 419:20 Single Ambig)
&rst
ixpk= 419, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 235, 369,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 151 PHE HD 14 VAL MGY 3.50 (# 420:20 Unique 2.75, 5.79 A)
&rst
ixpk= 420, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2515,2523,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 35 PHE HD 14 VAL MGY 3.50 (# 421:20 Unique 1.99, 5.58 A)
&rst
ixpk= 421, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 559, 567,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 14 VAL HN 14 VAL MGY 3.50 (# 422:20 Unique 2.39, 4.03 A)
&rst
ixpk= 422, nxpk= 20, iat= 198, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 15 ILE HN 14 VAL MGY 4.40 (# 423:20 Unique 3.07, 4.76 A)
&rst
ixpk= 423, nxpk= 20, iat= 214, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 102 LEU HN 14 VAL MGY 4.40 (# 424:20 Unique 3.99, 5.85 A)
&rst
ixpk= 424, nxpk= 20, iat=1684, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 147 VAL MGX 14 VAL MGX 2.60 (# 425:20 Unique 3.99, 7.22 A)
&rst
ixpk= 425, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2443,2444,2445,2447,2448,2449,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 147 VAL MGY 14 VAL MGX 5.50 (# 426:20 Unique 3.99, 7.22 A)
&rst
ixpk= 426, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=2443,2444,2445,2447,2448,2449,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 20-2:428 14 VAL MGX 3.50 (# 428:20 Single Ambig)
&rst
ixpk= 428, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.32, r4= 8.07,
igr1=1669,1670,2570,2571,2572,2574,2575,2576,1073,1074,
1075,1077,1078,1079,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 22 VAL MGX 14 VAL MGX 3.50 (# 429:20 Unique 2.00, 5.55 A)
&rst
ixpk= 429, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 329, 330, 331, 333, 334, 335,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 20-2:430 14 VAL MGX 3.50 (# 430:20 Single Ambig)
&rst
ixpk= 430, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.77, r4= 8.52,
igr1= 185, 186, 187, 227, 228, 229, 224, 225,2570,2571,
2572,2574,2575,2576,1073,1074,1075,1077,1078,1079,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 148 MET ME 14 VAL MGX 5.50 (# 431:20 Unique 2.91, 5.57 A)
&rst
ixpk= 431, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=2464,2465,2466,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 14 VAL HB 14 VAL MGX 2.60 (# 432:20 Unique 2.22, 2.63 A)
&rst
ixpk= 432, nxpk= 20, iat= 202, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 99 TRP HB+ 14 VAL MGX 4.40 (# 433:20 Unique 3.29, 6.10 A)
&rst
ixpk= 433, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1625,1626,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 14 VAL HA 14 VAL MGX 3.50 (# 434:20 Unique 2.16, 3.12 A)
&rst
ixpk= 434, nxpk= 20, iat= 200, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 20-2:435 14 VAL MGX 5.50 (# 435:20 Single Ambig)
&rst
ixpk= 435, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
igr1= 174, 175, 174, 175,2455, 358, 341,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 20-2:436 14 VAL MGX 5.50 (# 436:20 Single Ambig)
&rst
ixpk= 436, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 216,2509,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 101 LEU HA 14 VAL MGX 3.50 (# 437:20 Unique 3.32, 4.68 A)
&rst
ixpk= 437, nxpk= 20, iat=1667, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 151 PHE HD 14 VAL MGX 2.60 (# 438:20 Unique 2.75, 5.79 A)
&rst
ixpk= 438, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2515,2523,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 99 TRP HE3 14 VAL MGX 3.50 (# 440:20 Unique 2.87, 5.02 A)
&rst
ixpk= 440, nxpk= 20, iat=1640, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 20-2:442 14 VAL MGX 4.40 (# 442:20 Single Ambig)
&rst
ixpk= 442, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 179,1621,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 100 PHE HN 14 VAL MGX 5.50 (# 443:20 Unique 2.58, 5.14 A)
&rst
ixpk= 443, nxpk= 20, iat=1645, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 14 VAL HN 14 VAL MGX 3.50 (# 444:20 Unique 2.39, 4.03 A)
&rst
ixpk= 444, nxpk= 20, iat= 198, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 15 ILE HN 14 VAL MGX 5.50 (# 445:20 Unique 3.07, 4.76 A)
&rst
ixpk= 445, nxpk= 20, iat= 214, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 20-2:448 15 ILE HA 5.50 (# 448:20 Single Ambig)
&rst
ixpk= 448, nxpk= 20, iat= -1, 216, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1674,1675,1676,1678,1679,1680, 204, 205, 206, 208,
209, 210,
&end
#
# 0 AMB 20-2:453 93 ILE HB 2.60 (# 453:20 Single Ambig)
&rst
ixpk= 453, nxpk= 20, iat= -1,1521, r1= 0.00, r2= 1.80, r3= 3.40, r4= 4.15,
igr1=1527,1528,1530,1531,1532,
&end
#
# 93 ILE HG1- 93 ILE HB 2.60 (# 454:20 Unique 2.26, 2.49 A)
&rst
ixpk= 454, nxpk= 20, iat= -1,1521, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1527,1528,
&end
#
# 93 ILE QG2 93 ILE HB 2.60 (# 455:20 Unique 2.33, 2.63 A)
&rst
ixpk= 455, nxpk= 20, iat= -1,1521, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr1=1523,1524,1525,
&end
#
# 15 ILE QG2 15 ILE HB 2.60 (# 456:20 Unique 2.22, 2.63 A)
&rst
ixpk= 456, nxpk= 20, iat= -1, 218, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr1= 220, 221, 222,
&end
#
# 23 MET ME 15 ILE HB 5.50 (# 457:20 Unique 2.18, 3.50 A)
&rst
ixpk= 457, nxpk= 20, iat= -1, 218, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 350, 351, 352,
&end
#
# 15 ILE HG1+ 15 ILE HB 3.50 (# 458:20 Unique 2.37, 2.46 A)
&rst
ixpk= 458, nxpk= 20, iat= -1, 218, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 224, 225,
&end
#
# 93 ILE HA 93 ILE HB 2.60 (# 459:20 Unique 2.46, 2.48 A)
&rst
ixpk= 459, nxpk= 20, iat=1519,1521, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 0 AMB 20-2:461 0 AMB 20-1:461 5.50 (# 461:20 Double Ambig)
&rst
ixpk= 461, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1517,1720,
igr2=1521, 218,
&end
#
# 93 ILE HN 93 ILE HG1- 3.50 (# 462:20 Unique 2.30, 3.00 A)
&rst
ixpk= 462, nxpk= 20, iat=1517, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1527,1528,
&end
#
# 93 ILE HN 93 ILE HG1+ 3.50 (# 463:20 Unique 2.30, 3.00 A)
&rst
ixpk= 463, nxpk= 20, iat=1517, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1527,1528,
&end
#
# 94 GLY HN 93 ILE HG1- 5.50 (# 464:20 Unique 2.99, 4.08 A)
&rst
ixpk= 464, nxpk= 20, iat=1536, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1527,1528,
&end
#
# 0 AMB 20-2:465 0 AMB 20-1:465 5.50 (# 465:20 Double Ambig)
&rst
ixpk= 465, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1536,1795,
igr2=1527,1528, 926, 927, 928, 930, 931, 932,
&end
#
# 0 AMB 20-2:466 0 AMB 20-1:466 3.90 (# 466:20 Double Ambig)
&rst
ixpk= 466, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
igr1= 852, 860, 773, 782,1419,
igr2= 834, 835, 836, 838, 839, 840,1527,1528,
&end
#
# 0 AMB 20-2:469 0 AMB 20-1:469 5.50 (# 469:20 Double Ambig)
&rst
ixpk= 469, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 78, 79,1797,
igr2=1527,1528, 926, 927, 928, 930, 931, 932,
&end
#
# 51 TYR HA 54 LEU MDX 3.50 (# 470:20 Unique 2.57, 4.60 A)
&rst
ixpk= 470, nxpk= 20, iat= 767, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 834, 835, 836, 838, 839, 840,
&end
#
# 0 AMB 20-2:471 0 AMB 20-1:471 3.50 (# 471:20 Double Ambig)
&rst
ixpk= 471, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 827, 78, 79,
igr2= 834, 835, 836, 838, 839, 840,1527,1528,
&end
#
# 6 GLY HA- 93 ILE HG1+ 5.50 (# 472:20 Unique 3.87, 4.98 A)
&rst
ixpk= 472, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 78, 79,
igr2=1527,1528,
&end
#
# 93 ILE HB 93 ILE HG1- 2.60 (# 473:20 Unique 2.26, 2.49 A)
&rst
ixpk= 473, nxpk= 20, iat=1521, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1527,1528,
&end
#
# 93 ILE HB 93 ILE HG1+ 2.60 (# 474:20 Unique 2.26, 2.49 A)
&rst
ixpk= 474, nxpk= 20, iat=1521, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1527,1528,
&end
#
# 84 VAL MGX 93 ILE QD1 5.50 (# 475:20 Unique 5.65, 8.12 A)
&rst
ixpk= 475, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1370,1371,1372,1374,1375,1376,
igr2=1530,1531,1532,
&end
#
# 0 AMB 20-2:476 0 AMB 20-1:476 4.40 (# 476:20 Double Ambig)
&rst
ixpk= 476, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.55, r4= 9.30,
igr1=1496,1497,1498,1500,1501,1502, 384, 385, 386,
igr2=1530,1531,1532, 192, 193, 194,
&end
#
# 0 AMB 20-2:477 93 ILE QD1 5.50 (# 477:20 Single Ambig)
&rst
ixpk= 477, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1547,1548,1303,1304, 111, 112,
igr2=1530,1531,1532,
&end
#
# 0 AMB 20-2:478 0 AMB 20-1:478 4.40 (# 478:20 Double Ambig)
&rst
ixpk= 478, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
igr1=1625,1626,1257,1258, 796, 797,1097,1098,
igr2= 192, 193, 194,1530,1531,1532,
&end
#
# 0 AMB 20-2:479 0 AMB 20-1:479 4.40 (# 479:20 Double Ambig)
&rst
ixpk= 479, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1= 78, 79, 827,
igr2=1530,1531,1532, 192, 193, 194,
&end
#
# 6 GLY HA+ 93 ILE QD1 3.50 (# 480:20 Unique 1.98, 3.26 A)
&rst
ixpk= 480, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 78, 79,
igr2=1530,1531,1532,
&end
#
# 0 AMB 20-2:481 0 AMB 20-1:481 3.50 (# 481:20 Double Ambig)
&rst
ixpk= 481, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 174, 175,1519,
igr2= 192, 193, 194,1530,1531,1532,
&end
#
# 7 TYR HA 93 ILE QD1 5.50 (# 482:20 Unique 4.01, 5.07 A)
&rst
ixpk= 482, nxpk= 20, iat= 85, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1530,1531,1532,
&end
#
# 0 AMB 20-2:484 93 ILE QD1 4.40 (# 484:20 Single Ambig)
&rst
ixpk= 484, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1536,1423,
igr2=1530,1531,1532,
&end
#
# 0 AMB 20-2:485 93 ILE QD1 5.50 (# 485:20 Single Ambig)
&rst
ixpk= 485, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 76,1506,
igr2=1530,1531,1532,
&end
#
# 93 ILE HN 93 ILE QD1 3.50 (# 486:20 Unique 1.84, 2.75 A)
&rst
ixpk= 486, nxpk= 20, iat=1517, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1530,1531,1532,
&end
#
# 17 ASN HN 16 CYS HA 3.50 (# 487:20 Unique 2.21, 2.34 A)
&rst
ixpk= 487, nxpk= 20, iat= 244, 235, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:488 16 CYS HA 5.50 (# 488:20 Single Ambig)
&rst
ixpk= 488, nxpk= 20, iat= -1, 235, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1715,1716, 561, 565, 559, 567,
&end
#
# 22 VAL HA 16 CYS HA 4.40 (# 489:20 Unique 2.20, 2.72 A)
&rst
ixpk= 489, nxpk= 20, iat= 325, 235, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 16 CYS HB+ 16 CYS HA 4.40 (# 490:20 Unique 2.37, 2.64 A)
&rst
ixpk= 490, nxpk= 20, iat= -1, 235, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 237, 238,
&end
#
# 16 CYS HB- 16 CYS HA 4.40 (# 491:20 Unique 2.37, 2.64 A)
&rst
ixpk= 491, nxpk= 20, iat= -1, 235, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 237, 238,
&end
#
# 0 AMB 20-2:492 16 CYS HA 5.50 (# 492:20 Single Ambig)
&rst
ixpk= 492, nxpk= 20, iat= -1, 235, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1=1707,1708,2615, 286, 287,2612,2613,
&end
#
# 22 VAL MGY 16 CYS HA 3.50 (# 493:20 Unique 2.74, 5.54 A)
&rst
ixpk= 493, nxpk= 20, iat= -1, 235, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 101 LEU MDX 16 CYS HB+ 5.50 (# 494:20 Unique 1.98, 4.47 A2.6)
&rst
ixpk= 494, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1674,1675,1676,1678,1679,1680,
igr2= 237, 238,
&end
#
# 0 AMB 20-2:495 0 AMB 20-1:495 4.40 (# 495:20 Double Ambig)
&rst
ixpk= 495, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
igr1=2617,2618,2619,2621,2622,2623, 329, 330, 331, 333,
334, 335,
igr2= 237, 238, 237, 238,
&end
#
# 101 LEU MDX 16 CYS HB- 4.40 (# 496:20 Unique 1.98, 4.47 A)
&rst
ixpk= 496, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1674,1675,1676,1678,1679,1680,
igr2= 237, 238,
&end
#
# 158 LEU MDX 16 CYS HB- 4.40 (# 497:20 Unique 2.00, 5.10 A)
&rst
ixpk= 497, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2617,2618,2619,2621,2622,2623,
igr2= 237, 238,
&end
#
# 0 AMB 20-2:498 0 AMB 20-1:498 5.50 (# 498:20 Double Ambig)
&rst
ixpk= 498, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=2570,2571,2572,2574,2575,2576,1073,1074,1075,1077,
1078,1079,
igr2=2587,2588, 237, 238,
&end
#
# 0 AMB 20-2:499 0 AMB 20-1:499 5.50 (# 499:20 Double Ambig)
&rst
ixpk= 499, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.00, r4=12.75,
igr1=1073,1074,1075,1077,1078,1079,2570,2571,2572,2574,
2575,2576,2554,2555,2556,2558,2559,2560,
igr2= 237, 238, 237, 238, 237, 238,
&end
#
# 103 GLN HB- 16 CYS HB+ 5.50 (# 500:20 Unique 3.14, 5.04 A)
&rst
ixpk= 500, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1707,1708,
igr2= 237, 238,
&end
#
# 103 GLN HB- 16 CYS HB- 5.50 (# 501:20 Unique 3.14, 5.04 A)
&rst
ixpk= 501, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1707,1708,
igr2= 237, 238,
&end
#
# 0 AMB 20-2:502 0 AMB 20-1:502 5.50 (# 502:20 Double Ambig)
&rst
ixpk= 502, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
igr1= 310, 311, 218,2477,2478,2480,2481,
igr2= 237, 238,2587,2588,2587,2588,
&end
#
# 156 MET HB+ 156 MET HG+ 2.60 (# 503:20 Unique 2.37, 2.57 A)
&rst
ixpk= 503, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2584,2585,
igr2=2587,2588,
&end
#
# 156 MET HA 156 MET HG+ 3.50 (# 505:20 Unique 3.10, 3.48 A)
&rst
ixpk= 505, nxpk= 20, iat=2582, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2587,2588,
&end
#
# 16 CYS HA 16 CYS HB+ 3.50 (# 507:20 Unique 2.37, 2.64 A)
&rst
ixpk= 507, nxpk= 20, iat= 235, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 237, 238,
&end
#
# 16 CYS HA 16 CYS HB- 3.50 (# 508:20 Unique 2.37, 2.64 A)
&rst
ixpk= 508, nxpk= 20, iat= 235, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 237, 238,
&end
#
# 0 AMB 20-2:509 0 AMB 20-1:509 5.50 (# 509:20 Double Ambig)
&rst
ixpk= 509, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=2597,2527,2627,
igr2=2587,2588,2587,2588, 237, 238,2587,2588,
&end
#
# 17 ASN HN 16 CYS HB- 3.50 (# 510:20 Unique 2.50, 3.29 A)
&rst
ixpk= 510, nxpk= 20, iat= 244, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 237, 238,
&end
#
# 17 ASN HN 16 CYS HB+ 3.50 (# 511:20 Unique 2.50, 3.29 A)
&rst
ixpk= 511, nxpk= 20, iat= 244, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 237, 238,
&end
#
# 156 MET HN 156 MET HG+ 3.50 (# 512:20 Unique 1.95, 2.82 A)
&rst
ixpk= 512, nxpk= 20, iat=2580, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2587,2588,
&end
#
# 17 ASN HB- 17 ASN HA 2.60 (# 516:20 Unique 2.27, 2.56 A)
&rst
ixpk= 516, nxpk= 20, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 248, 249,
&end
#
# 0 AMB 20-2:517 17 ASN HA 4.40 (# 517:20 Single Ambig)
&rst
ixpk= 517, nxpk= 20, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 262, 263,1707,1708, 286, 287,
&end
#
# 17 ASN HB+ 17 ASN HA 2.60 (# 518:20 Unique 2.27, 2.56 A)
&rst
ixpk= 518, nxpk= 20, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 248, 249,
&end
#
# 0 AMB 20-2:519 17 ASN HA 4.40 (# 519:20 Single Ambig)
&rst
ixpk= 519, nxpk= 20, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr1= 260,1768,1769,
&end
#
# 16 CYS HA 17 ASN HA 4.40 (# 522:20 Unique 4.35, 4.39 A)
&rst
ixpk= 522, nxpk= 20, iat= 235, 246, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 0 AMB 20-2:523 17 ASN HA 5.50 (# 523:20 Single Ambig)
&rst
ixpk= 523, nxpk= 20, iat= -1, 246, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 271, 294, 295,
&end
#
# 18 ARG HN 17 ASN HA 3.50 (# 524:20 Unique 2.46, 2.56 A)
&rst
ixpk= 524, nxpk= 20, iat= 258, 246, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 18 ARG HN 17 ASN HB+ 3.50 (# 526:20 Unique 2.10, 2.97 A)
&rst
ixpk= 526, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 248, 249,
&end
#
# 18 ARG HN 17 ASN HB- 3.50 (# 527:20 Unique 2.10, 2.97 A)
&rst
ixpk= 527, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 248, 249,
&end
#
# 17 ASN HA 17 ASN HB- 4.40 (# 528:20 Unique 2.27, 2.56 A)
&rst
ixpk= 528, nxpk= 20, iat= 246, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 248, 249,
&end
#
# 17 ASN HA 17 ASN HB+ 3.50 (# 529:20 Unique 2.27, 2.56 A)
&rst
ixpk= 529, nxpk= 20, iat= 246, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 248, 249,
&end
#
# 158 LEU MDX 18 ARG HA 3.50 (# 530:20 Unique 2.07, 3.59 A)
&rst
ixpk= 530, nxpk= 20, iat= -1, 260, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2617,2618,2619,2621,2622,2623,
&end
#
# 18 ARG HG- 18 ARG HA 2.60 (# 531:20 Unique 2.09, 3.01 A)
&rst
ixpk= 531, nxpk= 20, iat= -1, 260, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 265, 266,
&end
#
# 18 ARG HB- 18 ARG HA 2.60 (# 532:20 Unique 2.36, 2.78 A)
&rst
ixpk= 532, nxpk= 20, iat= -1, 260, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 262, 263,
&end
#
# 18 ARG HB+ 18 ARG HA 2.60 (# 533:20 Unique 2.36, 2.78 A)
&rst
ixpk= 533, nxpk= 20, iat= -1, 260, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 262, 263,
&end
#
# 18 ARG HD+ 18 ARG HA 3.50 (# 534:20 Unique 2.04, 3.56 A)
&rst
ixpk= 534, nxpk= 20, iat= -1, 260, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 268, 269,
&end
#
# 19 GLN HN 18 ARG HA 3.50 (# 535:20 Unique 2.99, 3.17 A)
&rst
ixpk= 535, nxpk= 20, iat= 282, 260, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 18 ARG HN 18 ARG HA 3.50 (# 536:20 Unique 2.82, 2.87 A)
&rst
ixpk= 536, nxpk= 20, iat= 258, 260, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 82 ARG HN 82 ARG HB+ 2.60 (# 537:20 Unique 2.53, 3.17 A)
&rst
ixpk= 537, nxpk= 20, iat=1321, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1325,1326,
&end
#
# 78 LYS HN 78 LYS HD+ 3.50 (# 538:20 Unique 1.99, 2.93 A)
&rst
ixpk= 538, nxpk= 20, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1254,1255,
&end
#
# 85 ARG HN 85 ARG HB- 3.50 (# 539:20 Unique 2.24, 2.94 A)
&rst
ixpk= 539, nxpk= 20, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1384,1385,
&end
#
# 18 ARG HN 18 ARG HB+ 2.60 (# 540:20 Unique 2.13, 2.95 A)
&rst
ixpk= 540, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 262, 263,
&end
#
# 18 ARG HN 18 ARG HB- 3.50 (# 541:20 Unique 2.13, 2.95 A)
&rst
ixpk= 541, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 262, 263,
&end
#
# 19 GLN HN 18 ARG HB+ 5.50 (# 542:20 Unique 3.45, 3.99 A)
&rst
ixpk= 542, nxpk= 20, iat= 282, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 262, 263,
&end
#
# 0 AMB 20-2:543 0 AMB 20-1:543 5.50 (# 543:20 Double Ambig)
&rst
ixpk= 543, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 282,1417,
igr2= 262, 263,1309,1310,
&end
#
# 0 AMB 20-2:545 0 AMB 20-1:545 4.40 (# 545:20 Double Ambig)
&rst
ixpk= 545, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1382,2675,
igr2=1384,1385, 262, 263,
&end
#
# 82 ARG HA 82 ARG HB+ 2.60 (# 546:20 Unique 2.27, 2.46 A)
&rst
ixpk= 546, nxpk= 20, iat=1323, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1325,1326,
&end
#
# 18 ARG HA 18 ARG HB+ 2.60 (# 547:20 Unique 2.36, 2.78 A)
&rst
ixpk= 547, nxpk= 20, iat= 260, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 262, 263,
&end
#
# 0 AMB 20-2:548 0 AMB 20-1:548 2.60 (# 548:20 Double Ambig)
&rst
ixpk= 548, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1= 260,2494,1444,
igr2= 262, 263,2480,2481,1384,1385,
&end
#
# 0 AMB 20-2:549 0 AMB 20-1:549 2.60 (# 549:20 Double Ambig)
&rst
ixpk= 549, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1= 268, 269,1390,1391,
igr2= 262, 263,1384,1385,
&end
#
# 0 AMB 20-2:550 0 AMB 20-1:550 2.60 (# 550:20 Double Ambig)
&rst
ixpk= 550, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1331,1332, 268, 269,
igr2=1325,1326, 262, 263,
&end
#
# 0 AMB 20-2:551 0 AMB 20-1:551 2.60 (# 551:20 Double Ambig)
&rst
ixpk= 551, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1= 265, 266,1328,1329,
igr2= 262, 263,1325,1326,
&end
#
# 0 AMB 20-2:552 0 AMB 20-1:552 2.60 (# 552:20 Double Ambig)
&rst
ixpk= 552, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1251,1252, 248, 249,
igr2=1254,1255, 262, 263,
&end
#
# 0 AMB 20-2:553 0 AMB 20-1:553 3.50 (# 553:20 Double Ambig)
&rst
ixpk= 553, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.53, r4= 7.28,
igr1=1527,1528,1530,1531,1532,1527,1528,
igr2=1254,1255,1254,1255,1309,1310,
&end
#
# 0 AMB 20-2:555 0 AMB 20-1:555 3.50 (# 555:20 Double Ambig)
&rst
ixpk= 555, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2617,2618,2619,2621,2622,2623,1693,1694,1695,1697,
1698,1699,1058,1059,1060,
igr2= 265, 266,1055,1056,
&end
#
# 158 LEU MDY 18 ARG HG- 3.50 (# 556:20 Unique 1.98, 5.27 A)
&rst
ixpk= 556, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2617,2618,2619,2621,2622,2623,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:557 18 ARG HG- 2.60 (# 557:20 Single Ambig)
&rst
ixpk= 557, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=2691,2692, 262, 263,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:558 0 AMB 20-1:558 2.60 (# 558:20 Double Ambig)
&rst
ixpk= 558, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2691,2692, 262, 263,2393,2394,
igr2= 265, 266, 265, 266,2396,2397,
&end
#
# 134 ARG HD+ 134 ARG HG- 2.60 (# 559:20 Unique 2.26, 2.71 A)
&rst
ixpk= 559, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2200,2201,
igr2=2197,2198,
&end
#
# 0 AMB 20-2:560 0 AMB 20-1:560 2.60 (# 560:20 Double Ambig)
&rst
ixpk= 560, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2326,2327,2423,2424,
igr2=2323,2324,2420,2421,
&end
#
# 18 ARG HA 18 ARG HG- 2.60 (# 561:20 Unique 2.09, 3.01 A)
&rst
ixpk= 561, nxpk= 20, iat= 260, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 265, 266,
&end
#
# 18 ARG HA 18 ARG HG+ 2.60 (# 562:20 Unique 2.09, 3.01 A)
&rst
ixpk= 562, nxpk= 20, iat= 260, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 265, 266,
&end
#
# 134 ARG HA 134 ARG HG- 3.50 (# 563:20 Unique 2.06, 2.91 A)
&rst
ixpk= 563, nxpk= 20, iat=2192, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2197,2198,
&end
#
# 0 AMB 20-2:564 0 AMB 20-1:564 3.50 (# 564:20 Double Ambig)
&rst
ixpk= 564, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2192,2677,
igr2=2197,2198, 265, 266,
&end
#
# 134 ARG HN 134 ARG HG- 2.60 (# 565:20 Unique 3.36, 3.83 A)
&rst
ixpk= 565, nxpk= 20, iat=2190, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2197,2198,
&end
#
# 0 AMB 20-2:566 0 AMB 20-1:566 2.60 (# 566:20 Double Ambig)
&rst
ixpk= 566, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2190,2130,
igr2=2197,2198,2396,2397,2197,2198,
&end
#
# 103 GLN HE2+ 18 ARG HG- 3.50 (# 567:20 Unique 1.95, 3.96 A)
&rst
ixpk= 567, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1715,1716,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:568 0 AMB 20-1:568 3.50 (# 568:20 Double Ambig)
&rst
ixpk= 568, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2128,2413,2627,
igr2=2396,2397,2420,2421, 265, 266,
&end
#
# 18 ARG HN 18 ARG HG- 3.50 (# 569:20 Unique 2.04, 3.64 A)
&rst
ixpk= 569, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 265, 266,
&end
#
# 18 ARG HN 18 ARG HG+ 3.50 (# 570:20 Unique 2.04, 3.64 A)
&rst
ixpk= 570, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 265, 266,
&end
#
# 67 ILE HN 67 ILE HG1- 4.40 (# 571:20 Unique 1.96, 2.75 A)
&rst
ixpk= 571, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1055,1056,
&end
#
# 72 ARG HN 72 ARG HG- 3.50 (# 572:20 Unique 1.99, 2.95 A)
&rst
ixpk= 572, nxpk= 20, iat=1118, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1125,1126,
&end
#
# 18 ARG HN 18 ARG HD+ 3.55 (# 573:20 Unique 1.95, 3.20 A)
&rst
ixpk= 573, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 3.98, r4= 4.73,
igr2= 268, 269,
&end
#
# 82 ARG HN 82 ARG HD+ 3.50 (# 574:20 Unique 4.14, 4.43 A)
&rst
ixpk= 574, nxpk= 20, iat=1321, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1331,1332,
&end
#
# 0 AMB 20-2:575 0 AMB 20-1:575 2.60 (# 575:20 Double Ambig)
&rst
ixpk= 575, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 271, 294, 295,
igr2= 268, 269, 268, 269,
&end
#
# 103 GLN HE2- 18 ARG HD+ 3.50 (# 576:20 Unique 1.93, 3.53 A)
&rst
ixpk= 576, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1715,1716,
igr2= 268, 269,
&end
#
# 18 ARG HA 18 ARG HD+ 3.50 (# 577:20 Unique 2.04, 3.56 A)
&rst
ixpk= 577, nxpk= 20, iat= 260, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 268, 269,
&end
#
# 18 ARG HB+ 18 ARG HD+ 2.60 (# 578:20 Unique 2.02, 3.40 A)
&rst
ixpk= 578, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 262, 263,
igr2= 268, 269,
&end
#
# 0 AMB 20-2:579 0 AMB 20-1:579 2.60 (# 579:20 Double Ambig2.6)
&rst
ixpk= 579, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1= 265, 266,2396,2397,
igr2= 268, 269,2326,2327,
&end
#
# 0 AMB 20-2:580 0 AMB 20-1:580 2.60 (# 580:20 Double Ambig)
&rst
ixpk= 580, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2320,2321, 262, 263,2323,2324,
igr2=2326,2327, 268, 269,2326,2327,
&end
#
# 0 AMB 20-2:581 0 AMB 20-1:581 2.60 (# 581:20 Double Ambig)
&rst
ixpk= 581, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2323,2324, 265, 266,
igr2=2326,2327, 268, 269,
&end
#
# 68 LEU MDY 68 LEU HA 2.60 (# 582:20 Unique 2.21, 4.00 A)
&rst
ixpk= 582, nxpk= 20, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1073,1074,1075,1077,1078,1079,
&end
#
# 68 LEU HB- 68 LEU HA 3.50 (# 583:20 Unique 2.30, 2.67 A)
&rst
ixpk= 583, nxpk= 20, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1068,1069,
&end
#
# 68 LEU HB+ 68 LEU HA 3.50 (# 584:20 Unique 2.30, 2.67 A)
&rst
ixpk= 584, nxpk= 20, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1068,1069,
&end
#
# 19 GLN HB- 19 GLN HA 2.60 (# 585:20 Unique 2.35, 2.72 A)
&rst
ixpk= 585, nxpk= 20, iat= -1, 284, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 286, 287,
&end
#
# 19 GLN HG+ 19 GLN HA 3.50 (# 586:20 Unique 2.45, 3.48 A)
&rst
ixpk= 586, nxpk= 20, iat= -1, 284, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 289, 290,
&end
#
# 0 AMB 20-2:587 19 GLN HA 2.60 (# 587:20 Single Ambig)
&rst
ixpk= 587, nxpk= 20, iat= -1, 284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2631,2632, 286, 287, 289, 290,
&end
#
# 20 GLY HA+ 19 GLN HA 5.50 (# 588:20 Unique 4.43, 4.77 A)
&rst
ixpk= 588, nxpk= 20, iat= -1, 284, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 301, 302,
&end
#
# 19 GLN HN 19 GLN HA 3.50 (# 589:20 Unique 2.92, 2.94 A)
&rst
ixpk= 589, nxpk= 20, iat= 282, 284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 69 ALA HN 68 LEU HA 5.50 (# 590:20 Unique 3.50, 3.52 A)
&rst
ixpk= 590, nxpk= 20, iat=1083,1066, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 20 GLY HN 19 GLN HA 3.50 (# 591:20 Unique 3.19, 3.33 A)
&rst
ixpk= 591, nxpk= 20, iat= 299, 284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 LEU HN 68 LEU HA 3.50 (# 592:20 Unique 2.85, 2.93 A)
&rst
ixpk= 592, nxpk= 20, iat=1064,1066, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 SER HN 48 GLN HB- 3.50 (# 593:20 Unique 1.94, 2.76 A)
&rst
ixpk= 593, nxpk= 20, iat= 685, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 725, 726,
&end
#
# 49 ALA HN 48 GLN HB- 5.50 (# 594:20 Unique 2.47, 3.05 A)
&rst
ixpk= 594, nxpk= 20, iat= 738, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 725, 726,
&end
#
# 20 GLY HN 0 AMB 20-1:595 3.50 (# 595:20 Single Ambig)
&rst
ixpk= 595, nxpk= 20, iat= 299, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=2631,2632, 286, 287,
&end
#
# 0 AMB 20-2:596 0 AMB 20-1:596 3.50 (# 596:20 Double Ambig)
&rst
ixpk= 596, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 299, 748,
igr2= 286, 287, 790, 791,
&end
#
# 48 GLN HN 48 GLN HB- 3.50 (# 597:20 Unique 2.40, 3.05 A)
&rst
ixpk= 597, nxpk= 20, iat= 721, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 725, 726,
&end
#
# 19 GLN HN 0 AMB 20-1:598 3.50 (# 598:20 Single Ambig)
&rst
ixpk= 598, nxpk= 20, iat= 282, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 286, 287,2631,2632,
&end
#
# 19 GLN HN 19 GLN HB- 3.50 (# 599:20 Unique 2.54, 3.18 A)
&rst
ixpk= 599, nxpk= 20, iat= 282, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 286, 287,
&end
#
# 19 GLN HA 0 AMB 20-1:601 2.60 (# 601:20 Single Ambig)
&rst
ixpk= 601, nxpk= 20, iat= 284, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr2=2631,2632, 286, 287,
&end
#
# 19 GLN HA 19 GLN HB- 2.60 (# 602:20 Unique 2.35, 2.72 A)
&rst
ixpk= 602, nxpk= 20, iat= 284, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 286, 287,
&end
#
# 0 AMB 20-2:603 48 GLN HB- 2.60 (# 603:20 Single Ambig)
&rst
ixpk= 603, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 723, 689, 690,
igr2= 725, 726,
&end
#
# 18 ARG HA 19 GLN HB- 5.50 (# 604:20 Unique 5.55, 6.06 A)
&rst
ixpk= 604, nxpk= 20, iat= 260, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 286, 287,
&end
#
# 48 GLN HG+ 48 GLN HB- 2.60 (# 605:20 Unique 2.34, 2.57 A)
&rst
ixpk= 605, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 728, 729,
igr2= 725, 726,
&end
#
# 0 AMB 20-2:611 0 AMB 20-1:611 2.60 (# 611:20 Double Ambig)
&rst
ixpk= 611, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1= 286, 287, 262, 263,
igr2= 289, 290, 289, 290,
&end
#
# 19 GLN HB- 19 GLN HG- 2.60 (# 612:20 Unique 2.26, 2.58 A)
&rst
ixpk= 612, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 286, 287,
igr2= 289, 290,
&end
#
# 19 GLN HA 19 GLN HG+ 3.50 (# 613:20 Unique 2.45, 3.48 A)
&rst
ixpk= 613, nxpk= 20, iat= 284, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 289, 290,
&end
#
# 19 GLN HA 19 GLN HG- 3.50 (# 614:20 Unique 2.45, 3.48 A)
&rst
ixpk= 614, nxpk= 20, iat= 284, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 289, 290,
&end
#
# 19 GLN HE2- 19 GLN HG- 4.40 (# 615:20 Unique 2.12, 3.24 A)
&rst
ixpk= 615, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 294, 295,
igr2= 289, 290,
&end
#
# 19 GLN HE2- 19 GLN HG+ 5.50 (# 616:20 Unique 2.12, 3.24 A)
&rst
ixpk= 616, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 294, 295,
igr2= 289, 290,
&end
#
# 0 AMB 20-2:617 0 AMB 20-1:617 3.50 (# 617:20 Double Ambig)
&rst
ixpk= 617, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 294, 295, 253, 254,
igr2= 289, 290, 289, 290,
&end
#
# 0 AMB 20-2:618 0 AMB 20-1:618 2.60 (# 618:20 Double Ambig)
&rst
ixpk= 618, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1= 253, 254, 294, 295, 253, 254,
igr2= 313, 314, 289, 290,
&end
#
# 19 GLN HN 0 AMB 20-1:619 2.60 (# 619:20 Single Ambig)
&rst
ixpk= 619, nxpk= 20, iat= 282, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr2= 289, 290, 313, 314,
&end
#
# 19 GLN HN 19 GLN HG+ 2.60 (# 620:20 Unique 2.27, 3.27 A)
&rst
ixpk= 620, nxpk= 20, iat= 282, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 289, 290,
&end
#
# 0 AMB 20-2:621 0 AMB 20-1:621 5.50 (# 621:20 Double Ambig)
&rst
ixpk= 621, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 299,2083,
igr2= 313, 314, 289, 290, 313, 314,
&end
#
# 20 GLY HN 19 GLN HG+ 5.50 (# 622:20 Unique 4.08, 4.91 A)
&rst
ixpk= 622, nxpk= 20, iat= 299, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 289, 290,
&end
#
# 22 VAL HN 21 GLN HG+ 5.50 (# 623:20 Unique 3.90, 4.76 A)
&rst
ixpk= 623, nxpk= 20, iat= 323, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 313, 314,
&end
#
# 95 GLN HN 94 GLY HA- 5.50 (# 624:20 Unique 2.19, 2.61 A)
&rst
ixpk= 624, nxpk= 20, iat=1543, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1538,1539,
&end
#
# 0 AMB 20-2:625 0 AMB 20-1:625 2.60 (# 625:20 Double Ambig)
&rst
ixpk= 625, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1= 299,1266,
igr2= 301, 302,1538,1539,
&end
#
# 20 GLY HN 20 GLY HA- 2.60 (# 626:20 Unique 2.30, 2.62 A)
&rst
ixpk= 626, nxpk= 20, iat= 299, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 301, 302,
&end
#
# 21 GLN HN 20 GLY HA+ 5.50 (# 627:20 Unique 2.84, 3.20 A)
&rst
ixpk= 627, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 301, 302,
&end
#
# 94 GLY HN 94 GLY HA- 5.50 (# 628:20 Unique 2.61, 2.79 A)
&rst
ixpk= 628, nxpk= 20, iat=1536, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1538,1539,
&end
#
# 21 GLN HN 20 GLY HA- 5.50 (# 629:20 Unique 2.84, 3.20 A)
&rst
ixpk= 629, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 301, 302,
&end
#
# 30 GLN HN 30 GLN HB+ 4.40 (# 634:20 Unique 2.46, 3.23 A)
&rst
ixpk= 634, nxpk= 20, iat= 465, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 469, 470,
&end
#
# 30 GLN HN 30 GLN HB- 3.50 (# 635:20 Unique 2.46, 3.23 A)
&rst
ixpk= 635, nxpk= 20, iat= 465, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 469, 470,
&end
#
# 32 SER HN 30 GLN HB+ 5.50 (# 636:20 Unique 2.34, 3.31 A)
&rst
ixpk= 636, nxpk= 20, iat= 499, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 469, 470,
&end
#
# 30 GLN HA 30 GLN HB+ 3.50 (# 637:20 Unique 2.37, 2.74 A)
&rst
ixpk= 637, nxpk= 20, iat= 467, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 469, 470,
&end
#
# 30 GLN HA 30 GLN HB- 3.50 (# 638:20 Unique 2.37, 2.74 A)
&rst
ixpk= 638, nxpk= 20, iat= 467, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 469, 470,
&end
#
# 30 GLN HG+ 30 GLN HB- 2.60 (# 640:20 Unique 2.21, 2.68 A)
&rst
ixpk= 640, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 472, 473,
igr2= 469, 470,
&end
#
# 30 GLN HG+ 30 GLN HB+ 2.60 (# 642:20 Unique 2.21, 2.68 A)
&rst
ixpk= 642, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 472, 473,
igr2= 469, 470,
&end
#
# 30 GLN HB- 30 GLN HG+ 2.60 (# 645:20 Unique 2.21, 2.68 A)
&rst
ixpk= 645, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 469, 470,
igr2= 472, 473,
&end
#
# 30 GLN HB+ 30 GLN HG+ 2.60 (# 646:20 Unique 2.21, 2.68 A)
&rst
ixpk= 646, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 469, 470,
igr2= 472, 473,
&end
#
# 0 AMB 20-2:647 0 AMB 20-1:647 4.40 (# 647:20 Double Ambig)
&rst
ixpk= 647, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1= 460, 461, 503, 504, 503, 504,
igr2= 472, 473, 472, 473, 472, 473,
&end
#
# 58 VAL HA 58 VAL HB 3.50 (# 648:20 Unique 2.51, 2.84 A)
&rst
ixpk= 648, nxpk= 20, iat= 896, 898, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 30 GLN HE2- 30 GLN HG+ 2.60 (# 649:20 Unique 2.12, 3.20 A)
&rst
ixpk= 649, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 477, 478,
igr2= 472, 473,
&end
#
# 0 AMB 20-2:650 0 AMB 20-1:650 3.50 (# 650:20 Double Ambig)
&rst
ixpk= 650, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1594,1595,1594,1595,1594,1595,1555,1556,
igr2=1586,1587,1589,1590,1550,1551,
&end
#
# 99 TRP HZ2 0 AMB 20-1:651 4.40 (# 651:20 Single Ambig)
&rst
ixpk= 651, nxpk= 20, iat=1634, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr2=1589,1590,1586,1587,
&end
#
# 59 GLY HN 58 VAL HB 4.40 (# 652:20 Unique 3.11, 3.61 A)
&rst
ixpk= 652, nxpk= 20, iat= 910, 898, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 37 GLN HN 37 GLN HG+ 3.50 (# 653:20 Unique 2.23, 3.54 A)
&rst
ixpk= 653, nxpk= 20, iat= 585, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 592, 593,
&end
#
# 0 AMB 20-2:654 0 AMB 20-1:654 3.50 (# 654:20 Double Ambig)
&rst
ixpk= 654, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 482, 458,
igr2= 472, 473, 472, 473,
&end
#
# 0 AMB 20-2:655 0 AMB 20-1:655 5.50 (# 655:20 Double Ambig)
&rst
ixpk= 655, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1631,1582,
igr2=1586,1587,1586,1587,1589,1590,
&end
#
# 27 ARG HN 30 GLN HG+ 3.50 (# 656:20 Unique 2.82, 8.69 A)
&rst
ixpk= 656, nxpk= 20, iat= 414, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 472, 473,
&end
#
# 23 MET HN 22 VAL HA 3.50 (# 657:20 Unique 2.22, 2.32 A)
&rst
ixpk= 657, nxpk= 20, iat= 339, 325, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:658 22 VAL HA 5.50 (# 658:20 Single Ambig)
&rst
ixpk= 658, nxpk= 20, iat= -1, 325, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2104,2109, 561, 565,
&end
#
# 16 CYS HA 22 VAL HA 3.50 (# 659:20 Unique 2.20, 2.72 A)
&rst
ixpk= 659, nxpk= 20, iat= 235, 325, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 22 VAL HB 22 VAL HA 5.50 (# 661:20 Unique 2.50, 2.68 A)
&rst
ixpk= 661, nxpk= 20, iat= 327, 325, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 VAL MGX 22 VAL HA 3.50 (# 663:20 Unique 1.95, 3.33 A)
&rst
ixpk= 663, nxpk= 20, iat= -1, 325, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 22 VAL MGY 22 VAL HA 3.50 (# 664:20 Unique 1.95, 3.33 A)
&rst
ixpk= 664, nxpk= 20, iat= -1, 325, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 14 VAL MGY 22 VAL HB 3.50 (# 666:20 Unique 2.54, 5.72 A)
&rst
ixpk= 666, nxpk= 20, iat= -1, 327, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 22 VAL MGX 22 VAL HB 2.60 (# 667:20 Unique 2.22, 2.63 A)
&rst
ixpk= 667, nxpk= 20, iat= -1, 327, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 22 VAL MGY 22 VAL HB 2.60 (# 668:20 Unique 2.22, 2.63 A2.6)
&rst
ixpk= 668, nxpk= 20, iat= -1, 327, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 71 THR MG2 150 GLU HG+ 4.40 (# 669:20 Unique 3.19, 5.21 A)
&rst
ixpk= 669, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1110,1111,1112,
igr2=2499,2500,
&end
#
# 150 GLU HB- 150 GLU HG+ 2.60 (# 670:20 Unique 2.21, 2.60 A)
&rst
ixpk= 670, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2496,2497,
igr2=2499,2500,
&end
#
# 150 GLU HB+ 150 GLU HG+ 2.60 (# 671:20 Unique 2.21, 2.60 A)
&rst
ixpk= 671, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2496,2497,
igr2=2499,2500,
&end
#
# 150 GLU HA 150 GLU HG+ 2.60 (# 673:20 Unique 2.05, 3.07 A)
&rst
ixpk= 673, nxpk= 20, iat=2494, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2499,2500,
&end
#
# 160 GLU HA 160 GLU HG- 2.60 (# 674:20 Unique 2.25, 2.99 A)
&rst
ixpk= 674, nxpk= 20, iat=2646, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2651,2652,
&end
#
# 22 VAL HA 22 VAL HB 5.50 (# 675:20 Unique 2.50, 2.68 A)
&rst
ixpk= 675, nxpk= 20, iat= 325, 327, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 151 PHE HD 150 GLU HG+ 4.40 (# 676:20 Unique 2.56, 6.74 A)
&rst
ixpk= 676, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2515,2523,
igr2=2499,2500,
&end
#
# 160 GLU HN 160 GLU HG- 3.50 (# 677:20 Unique 2.22, 3.06 A)
&rst
ixpk= 677, nxpk= 20, iat=2644, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2651,2652,
&end
#
# 161 ASN HN 160 GLU HG- 5.50 (# 678:20 Unique 2.27, 4.45 A)
&rst
ixpk= 678, nxpk= 20, iat=2659, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2651,2652,
&end
#
# 22 VAL HN 22 VAL MGX 3.50 (# 679:20 Unique 1.95, 3.73 A)
&rst
ixpk= 679, nxpk= 20, iat= 323, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 35 PHE HD 22 VAL MGX 4.40 (# 680:20 Unique 3.87, 7.15 A)
&rst
ixpk= 680, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 559, 567,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 22 VAL HA 22 VAL MGX 4.40 (# 681:20 Unique 1.95, 3.33 A)
&rst
ixpk= 681, nxpk= 20, iat= 325, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 129 TYR HA 22 VAL MGX 3.50 (# 683:20 Unique 1.99, 3.84 A)
&rst
ixpk= 683, nxpk= 20, iat=2096, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 0 AMB 20-2:685 22 VAL MGX 4.40 (# 685:20 Single Ambig)
&rst
ixpk= 685, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1= 237, 238,2098,2099,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 22 VAL HB 22 VAL MGX 2.60 (# 686:20 Unique 2.22, 2.63 A)
&rst
ixpk= 686, nxpk= 20, iat= 327, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 0 AMB 20-2:687 22 VAL MGX 3.50 (# 687:20 Single Ambig)
&rst
ixpk= 687, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2071,2457,2458,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 148 MET ME 22 VAL MGX 2.60 (# 688:20 Unique 1.99, 4.56 A)
&rst
ixpk= 688, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=2464,2465,2466,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 127 VAL MGX 22 VAL MGX 2.60 (# 689:20 Unique 2.06, 6.68 A)
&rst
ixpk= 689, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2073,2074,2075,2077,2078,2079,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 101 LEU MDY 22 VAL MGX 4.40 (# 690:20 Unique 3.77, 7.84 A)
&rst
ixpk= 690, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1=1674,1675,1676,1678,1679,1680,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 14 VAL MGY 22 VAL MGY 2.60 (# 692:20 Unique 2.00, 5.55 A)
&rst
ixpk= 692, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 204, 205, 206, 208, 209, 210,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 22 VAL HB 22 VAL MGY 2.60 (# 693:20 Unique 2.22, 2.63 A)
&rst
ixpk= 693, nxpk= 20, iat= 327, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 0 AMB 20-2:694 0 AMB 20-1:694 3.50 (# 694:20 Double Ambig)
&rst
ixpk= 694, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2071,2496,2497,2457,2458,
igr2= 329, 330, 331, 333, 334, 335,2554,2555,2556,2558,
2559,2560,
&end
#
# 0 AMB 20-2:695 22 VAL MGY 5.50 (# 695:20 Single Ambig)
&rst
ixpk= 695, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=2098,2099, 360, 361,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 16 CYS HB- 22 VAL MGY 3.50 (# 696:20 Unique 2.71, 6.63 A)
&rst
ixpk= 696, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 237, 238,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 0 AMB 20-2:697 0 AMB 20-1:697 2.60 (# 697:20 Double Ambig)
&rst
ixpk= 697, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1286,1287, 237, 238,2098,2099,
igr2=1354,1355,1356,1358,1359,1360, 329, 330, 331, 333,
334, 335,
&end
#
# 129 TYR HA 22 VAL MGY 2.60 (# 698:20 Unique 1.99, 3.84 A)
&rst
ixpk= 698, nxpk= 20, iat=2096, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 129 TYR HD 22 VAL MGY 2.60 (# 700:20 Unique 2.44, 6.68 A)
&rst
ixpk= 700, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2102,2111,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 22 VAL HA 22 VAL MGY 3.50 (# 701:20 Unique 1.95, 3.33 A)
&rst
ixpk= 701, nxpk= 20, iat= 325, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 16 CYS HA 22 VAL MGY 3.50 (# 702:20 Unique 2.74, 5.54 A)
&rst
ixpk= 702, nxpk= 20, iat= 235, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 0 AMB 20-2:703 0 AMB 20-1:703 4.40 (# 703:20 Double Ambig)
&rst
ixpk= 703, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1= 559, 567,1364,
igr2= 329, 330, 331, 333, 334, 335,1354,1355,1356,1358,
1359,1360,
&end
#
# 0 AMB 20-2:704 22 VAL MGY 4.40 (# 704:20 Single Ambig)
&rst
ixpk= 704, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2139, 244,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 23 MET HN 22 VAL MGY 3.50 (# 705:20 Unique 1.97, 3.92 A)
&rst
ixpk= 705, nxpk= 20, iat= 339, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 22 VAL HN 22 VAL MGY 3.50 (# 706:20 Unique 1.95, 3.73 A)
&rst
ixpk= 706, nxpk= 20, iat= 323, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 0 AMB 20-2:707 0 AMB 20-1:707 3.50 (# 707:20 Double Ambig)
&rst
ixpk= 707, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1621, 380,
igr2=1601, 358,
&end
#
# 25 ALA MB 25 ALA HA 3.50 (# 708:20 Unique 2.22, 2.63 A)
&rst
ixpk= 708, nxpk= 20, iat= -1, 382, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 384, 385, 386,
&end
#
# 124 TRP HA 25 ALA HA 4.40 (# 711:20 Unique 2.57, 3.64 A)
&rst
ixpk= 711, nxpk= 20, iat=1997, 382, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 0 AMB 20-2:712 25 ALA HA 3.50 (# 712:20 Single Ambig)
&rst
ixpk= 712, nxpk= 20, iat= -1, 382, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 390, 380,
&end
#
# 0 AMB 20-2:714 25 ALA MB 2.60 (# 714:20 Single Ambig)
&rst
ixpk= 714, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 380, 390,
igr2= 384, 385, 386,
&end
#
# 121 PHE HE 25 ALA MB 3.50 (# 716:20 Unique 2.00, 5.43 A)
&rst
ixpk= 716, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1966,1970,
igr2= 384, 385, 386,
&end
#
# 124 TRP HA 25 ALA MB 3.50 (# 719:20 Unique 2.02, 4.09 A)
&rst
ixpk= 719, nxpk= 20, iat=1997, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 384, 385, 386,
&end
#
# 58 VAL HA 25 ALA MB 5.50 (# 720:20 Unique 4.65, 5.77 A)
&rst
ixpk= 720, nxpk= 20, iat= 896, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 384, 385, 386,
&end
#
# 0 AMB 20-2:721 25 ALA MB 4.40 (# 721:20 Single Ambig)
&rst
ixpk= 721, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=1960,1961, 392,
igr2= 384, 385, 386,
&end
#
# 0 AMB 20-2:722 25 ALA MB 3.50 (# 722:20 Single Ambig)
&rst
ixpk= 722, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1999,2000,1960,1961,
igr2= 384, 385, 386,
&end
#
# 124 TRP HB- 25 ALA MB 4.40 (# 723:20 Unique 2.17, 4.69 A)
&rst
ixpk= 723, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1999,2000,
igr2= 384, 385, 386,
&end
#
# 113 MET ME 25 ALA MB 3.50 (# 724:20 Unique 2.00, 3.72 A)
&rst
ixpk= 724, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1854,1855,1856,
igr2= 384, 385, 386,
&end
#
# 23 MET ME 25 ALA MB 4.40 (# 725:20 Unique 3.70, 6.22 A)
&rst
ixpk= 725, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1= 350, 351, 352,
igr2= 384, 385, 386,
&end
#
# 25 ALA HA 25 ALA MB 3.50 (# 726:20 Unique 2.22, 2.63 A)
&rst
ixpk= 726, nxpk= 20, iat= 382, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 384, 385, 386,
&end
#
# 27 ARG HN 26 ARG HA 5.50 (# 728:20 Unique 2.14, 2.17 A)
&rst
ixpk= 728, nxpk= 20, iat= 414, 392, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:731 27 ARG HA 4.40 (# 731:20 Single Ambig)
&rst
ixpk= 731, nxpk= 20, iat= -1, 416, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 418, 419,1948,1949,
&end
#
# 0 AMB 20-2:732 0 AMB 20-1:732 3.50 (# 732:20 Double Ambig)
&rst
ixpk= 732, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1=1854,1855,1856,1931,1932,
igr2=1845, 416,
&end
#
# 27 ARG HD+ 27 ARG HA 4.40 (# 734:20 Unique 2.22, 4.57 A)
&rst
ixpk= 734, nxpk= 20, iat= -1, 416, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 424, 425,
&end
#
# 121 PHE HB- 27 ARG HA 5.50 (# 735:20 Unique 4.29, 5.48 A)
&rst
ixpk= 735, nxpk= 20, iat= -1, 416, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1960,1961,
&end
#
# 121 PHE HA 27 ARG HA 5.50 (# 736:20 Unique 3.03, 4.39 A)
&rst
ixpk= 736, nxpk= 20, iat=1958, 416, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 28 PHE HN 27 ARG HA 2.60 (# 738:20 Unique 2.20, 2.62 A)
&rst
ixpk= 738, nxpk= 20, iat= 438, 416, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 114 GLN HN 113 MET HA 3.50 (# 739:20 Unique 2.66, 2.91 A)
&rst
ixpk= 739, nxpk= 20, iat=1860,1845, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 113 MET HN 113 MET HA 3.50 (# 740:20 Unique 2.27, 2.77 A)
&rst
ixpk= 740, nxpk= 20, iat=1843,1845, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 119 PRO HB- 119 PRO HG- 3.50 (# 746:20 Unique 2.32, 2.58 A)
&rst
ixpk= 746, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1934,1935,
igr2=1931,1932,
&end
#
# 119 PRO HD- 119 PRO HG- 3.50 (# 747:20 Unique 2.30, 2.58 A)
&rst
ixpk= 747, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1928,1929,
igr2=1931,1932,
&end
#
# 0 AMB 20-2:748 0 AMB 20-1:748 2.60 (# 748:20 Double Ambig)
&rst
ixpk= 748, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1331,1332,1928,1929,
igr2=1328,1329,1931,1932,
&end
#
# 0 AMB 20-2:749 0 AMB 20-1:749 3.50 (# 749:20 Double Ambig)
&rst
ixpk= 749, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1323,1915,2233,
igr2=1328,1329,1931,1932,2323,2324,
&end
#
# 141 ARG HN 141 ARG HG- 3.50 (# 750:20 Unique 1.93, 3.42 A)
&rst
ixpk= 750, nxpk= 20, iat=2316, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2323,2324,
&end
#
# 120 GLU HN 119 PRO HG- 5.50 (# 751:20 Unique 4.50, 5.16 A)
&rst
ixpk= 751, nxpk= 20, iat=1941, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1931,1932,
&end
#
# 72 ARG HN 72 ARG HD+ 4.40 (# 752:20 Unique 3.78, 4.47 A)
&rst
ixpk= 752, nxpk= 20, iat=1118, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1128,1129,
&end
#
# 0 AMB 20-2:753 0 AMB 20-1:753 5.50 (# 753:20 Double Ambig)
&rst
ixpk= 753, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
igr1=2437,1093,2453,2659,
igr2=2423,2424,1128,1129,2423,2424, 268, 269,
&end
#
# 0 AMB 20-2:754 0 AMB 20-1:754 3.50 (# 754:20 Double Ambig)
&rst
ixpk= 754, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2415,1120,
igr2=2423,2424,1128,1129,
&end
#
# 142 ASP HA 145 ARG HD+ 3.50 (# 755:20 Unique 2.43, 3.79 A)
&rst
ixpk= 755, nxpk= 20, iat=2342, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2399,2400,
&end
#
# 0 AMB 20-2:756 0 AMB 20-1:756 3.50 (# 756:20 Double Ambig)
&rst
ixpk= 756, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1131,1151,1152,
igr2=1128,1129,1128,1129,
&end
#
# 95 GLN HE2+ 8 ARG HD- 5.50 (# 757:20 Unique 3.72, 6.33 A)
&rst
ixpk= 757, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1555,1556,
igr2= 114, 115,
&end
#
# 82 ARG HE 82 ARG HD+ 3.50 (# 758:20 Unique 2.28, 2.75 A)
&rst
ixpk= 758, nxpk= 20, iat=1334, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1331,1332,
&end
#
# 0 AMB 20-2:759 0 AMB 20-1:759 3.50 (# 759:20 Double Ambig)
&rst
ixpk= 759, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1189,1190,1191,1193,1194,1195,1189,1190,1191,1193,
1194,1195,
igr2=2423,2424,2423,2424,
&end
#
# 147 VAL MGY 146 ARG HD+ 5.50 (# 760:20 Unique 5.79, 8.38 A)
&rst
ixpk= 760, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2443,2444,2445,2447,2448,2449,
igr2=2423,2424,
&end
#
# 146 ARG HG- 146 ARG HD+ 2.60 (# 761:20 Unique 2.23, 2.72 A)
&rst
ixpk= 761, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2420,2421,
igr2=2423,2424,
&end
#
# 0 AMB 20-2:762 0 AMB 20-1:762 3.50 (# 762:20 Double Ambig)
&rst
ixpk= 762, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 446, 454, 852, 860,
igr2= 440, 866,
&end
#
# 29 GLY HN 28 PHE HA 3.50 (# 763:20 Unique 2.14, 2.19 A)
&rst
ixpk= 763, nxpk= 20, iat= 458, 440, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:765 56 GLU HA 2.60 (# 765:20 Single Ambig)
&rst
ixpk= 765, nxpk= 20, iat= -1, 866, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 864, 879,
&end
#
# 0 AMB 20-2:766 0 AMB 20-1:766 5.50 (# 766:20 Double Ambig)
&rst
ixpk= 766, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 854, 858, 894, 495,
igr2= 866, 440,
&end
#
# 53 GLU HA 56 GLU HA 5.50 (# 767:20 Unique 4.99, 5.29 A)
&rst
ixpk= 767, nxpk= 20, iat= 812, 866, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 28 PHE HB+ 28 PHE HA 5.50 (# 768:20 Unique 2.58, 2.82 A)
&rst
ixpk= 768, nxpk= 20, iat= -1, 440, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 442, 443,
&end
#
# 56 GLU HG+ 56 GLU HA 3.50 (# 769:20 Unique 2.34, 3.01 A)
&rst
ixpk= 769, nxpk= 20, iat= -1, 866, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 871, 872,
&end
#
# 0 AMB 20-2:770 0 AMB 20-1:770 2.60 (# 770:20 Double Ambig)
&rst
ixpk= 770, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1= 871, 872, 442, 443,
igr2= 866, 440,
&end
#
# 56 GLU HB- 56 GLU HA 2.60 (# 771:20 Unique 2.39, 2.73 A)
&rst
ixpk= 771, nxpk= 20, iat= -1, 866, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 868, 869,
&end
#
# 0 AMB 20-2:772 0 AMB 20-1:772 5.50 (# 772:20 Double Ambig)
&rst
ixpk= 772, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1= 472, 473, 886, 887, 883, 884, 898,
igr2= 440, 866,
&end
#
# 28 PHE HA 28 PHE HB+ 5.50 (# 773:20 Unique 2.58, 2.82 A)
&rst
ixpk= 773, nxpk= 20, iat= 440, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 442, 443,
&end
#
# 28 PHE HA 28 PHE HB- 5.50 (# 774:20 Unique 2.58, 2.82 A)
&rst
ixpk= 774, nxpk= 20, iat= 440, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 442, 443,
&end
#
# 28 PHE HD 28 PHE HB- 4.40 (# 776:20 Unique 2.28, 3.04 A)
&rst
ixpk= 776, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 446, 454,
igr2= 442, 443,
&end
#
# 28 PHE HD 28 PHE HB+ 3.50 (# 777:20 Unique 2.28, 3.04 A)
&rst
ixpk= 777, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 446, 454,
igr2= 442, 443,
&end
#
# 161 ASN HN 161 ASN HB+ 3.50 (# 778:20 Unique 2.14, 2.98 A)
&rst
ixpk= 778, nxpk= 20, iat=2659, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2663,2664,
&end
#
# 161 ASN HD2+ 161 ASN HB+ 3.50 (# 779:20 Unique 2.11, 3.39 A)
&rst
ixpk= 779, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2668,2669,
igr2=2663,2664,
&end
#
# 28 PHE HN 28 PHE HB+ 3.50 (# 780:20 Unique 2.09, 2.88 A)
&rst
ixpk= 780, nxpk= 20, iat= 438, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 442, 443,
&end
#
# 28 PHE HN 28 PHE HB- 4.40 (# 781:20 Unique 2.09, 2.88 A)
&rst
ixpk= 781, nxpk= 20, iat= 438, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 442, 443,
&end
#
# 29 GLY HN 29 GLY HA- 3.50 (# 782:20 Unique 2.30, 2.74 A)
&rst
ixpk= 782, nxpk= 20, iat= 458, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 460, 461,
&end
#
# 29 GLY HN 29 GLY HA+ 2.60 (# 783:20 Unique 2.30, 2.74 A)
&rst
ixpk= 783, nxpk= 20, iat= 458, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 460, 461,
&end
#
# 30 GLN HN 29 GLY HA- 3.50 (# 784:20 Unique 2.14, 2.76 A)
&rst
ixpk= 784, nxpk= 20, iat= 465, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 460, 461,
&end
#
# 30 GLN HN 29 GLY HA+ 3.50 (# 785:20 Unique 2.14, 2.76 A)
&rst
ixpk= 785, nxpk= 20, iat= 465, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 460, 461,
&end
#
# 30 GLN HB- 30 GLN HA 2.60 (# 787:20 Unique 2.37, 2.74 A)
&rst
ixpk= 787, nxpk= 20, iat= -1, 467, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 469, 470,
&end
#
# 30 GLN HB+ 30 GLN HA 2.60 (# 788:20 Unique 2.37, 2.74 A)
&rst
ixpk= 788, nxpk= 20, iat= -1, 467, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 469, 470,
&end
#
# 30 GLN HG+ 30 GLN HA 4.40 (# 789:20 Unique 2.45, 3.02 A)
&rst
ixpk= 789, nxpk= 20, iat= -1, 467, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 472, 473,
&end
#
# 0 AMB 20-2:790 30 GLN HA 5.50 (# 790:20 Single Ambig)
&rst
ixpk= 790, nxpk= 20, iat= -1, 467, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 460, 461, 503, 504,
&end
#
# 32 SER HN 30 GLN HA 5.50 (# 792:20 Unique 3.29, 4.31 A)
&rst
ixpk= 792, nxpk= 20, iat= 499, 467, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 30 GLN HN 30 GLN HA 3.50 (# 793:20 Unique 2.28, 2.88 A)
&rst
ixpk= 793, nxpk= 20, iat= 465, 467, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 31 HIS HN 30 GLN HA 3.50 (# 794:20 Unique 2.15, 2.59 A)
&rst
ixpk= 794, nxpk= 20, iat= 482, 467, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 31 HIS HN 31 HIS HA 5.50 (# 796:20 Unique 2.78, 2.90 A)
&rst
ixpk= 796, nxpk= 20, iat= 482, 484, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 HIS HB+ 31 HIS HA 3.50 (# 798:20 Unique 2.39, 2.66 A)
&rst
ixpk= 798, nxpk= 20, iat= -1, 484, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 486, 487,
&end
#
# 31 HIS HB- 31 HIS HA 3.50 (# 799:20 Unique 2.39, 2.66 A)
&rst
ixpk= 799, nxpk= 20, iat= -1, 484, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 486, 487,
&end
#
# 31 HIS HA 31 HIS HB+ 3.50 (# 800:20 Unique 2.39, 2.66 A)
&rst
ixpk= 800, nxpk= 20, iat= 484, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 486, 487,
&end
#
# 31 HIS HA 31 HIS HB- 4.40 (# 801:20 Unique 2.39, 2.66 A)
&rst
ixpk= 801, nxpk= 20, iat= 484, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 486, 487,
&end
#
# 32 SER HB+ 32 SER HA 2.60 (# 803:20 Unique 2.25, 2.70 A)
&rst
ixpk= 803, nxpk= 20, iat= -1, 501, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 503, 504,
&end
#
# 32 SER HB- 32 SER HA 2.60 (# 804:20 Unique 2.25, 2.70 A)
&rst
ixpk= 804, nxpk= 20, iat= -1, 501, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 503, 504,
&end
#
# 0 AMB 20-2:807 0 AMB 20-1:807 3.50 (# 807:20 Double Ambig)
&rst
ixpk= 807, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 510, 482,
igr2= 503, 504, 503, 504,
&end
#
# 0 AMB 20-2:808 32 SER HB- 3.50 (# 808:20 Single Ambig)
&rst
ixpk= 808, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 510, 482,
igr2= 503, 504,
&end
#
# 33 TRP HD1 32 SER HB- 5.50 (# 809:20 Unique 4.63, 5.56 A)
&rst
ixpk= 809, nxpk= 20, iat= 518, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 503, 504,
&end
#
# 32 SER HN 32 SER HB+ 3.50 (# 810:20 Unique 2.27, 3.05 A)
&rst
ixpk= 810, nxpk= 20, iat= 499, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 503, 504,
&end
#
# 32 SER HN 32 SER HB- 3.50 (# 811:20 Unique 2.27, 3.05 A)
&rst
ixpk= 811, nxpk= 20, iat= 499, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 503, 504,
&end
#
# 32 SER HA 32 SER HB+ 2.60 (# 812:20 Unique 2.25, 2.70 A)
&rst
ixpk= 812, nxpk= 20, iat= 501, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 503, 504,
&end
#
# 32 SER HA 32 SER HB- 2.60 (# 813:20 Unique 2.25, 2.70 A)
&rst
ixpk= 813, nxpk= 20, iat= 501, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 503, 504,
&end
#
# 30 GLN HB+ 32 SER HB- 5.50 (# 816:20 Unique 3.16, 4.84 A)
&rst
ixpk= 816, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 469, 470,
igr2= 503, 504,
&end
#
# 30 GLN HB+ 32 SER HB+ 5.50 (# 817:20 Unique 3.16, 4.84 A)
&rst
ixpk= 817, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 469, 470,
igr2= 503, 504,
&end
#
# 30 GLN HB- 32 SER HB+ 5.50 (# 818:20 Unique 3.16, 4.84 A)
&rst
ixpk= 818, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 469, 470,
igr2= 503, 504,
&end
#
# 0 AMB 20-2:819 33 TRP HA 5.70 (# 819:20 Single Ambig)
&rst
ixpk= 819, nxpk= 20, iat= -1, 512, r1= 0.00, r2= 1.80, r3= 6.85, r4= 7.60,
igr1= 525,2378,2383,
&end
#
# 34 GLN HG+ 33 TRP HA 4.40 (# 820:20 Unique 3.81, 5.37 A)
&rst
ixpk= 820, nxpk= 20, iat= -1, 512, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 541, 542,
&end
#
# 0 AMB 20-2:821 0 AMB 20-1:821 5.50 (# 821:20 Double Ambig)
&rst
ixpk= 821, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 469, 470,2023,2024,
igr2= 416, 512,
&end
#
# 155 VAL MGX 155 VAL HB 2.60 (# 823:20 Unique 2.23, 2.63 A)
&rst
ixpk= 823, nxpk= 20, iat= -1,2568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2570,2571,2572,2574,2575,2576,
&end
#
# 155 VAL MGY 155 VAL HB 2.60 (# 824:20 Unique 2.23, 2.63 A)
&rst
ixpk= 824, nxpk= 20, iat= -1,2568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2570,2571,2572,2574,2575,2576,
&end
#
# 155 VAL HA 155 VAL HB 3.50 (# 825:20 Unique 2.55, 2.86 A)
&rst
ixpk= 825, nxpk= 20, iat=2566,2568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 152 ALA HA 155 VAL HB 4.40 (# 826:20 Unique 2.56, 3.51 A)
&rst
ixpk= 826, nxpk= 20, iat=2529,2568, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 155 VAL HN 155 VAL HB 2.60 (# 827:20 Unique 2.52, 2.92 A)
&rst
ixpk= 827, nxpk= 20, iat=2564,2568, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 156 MET HN 155 VAL HB 3.50 (# 828:20 Unique 2.58, 3.04 A)
&rst
ixpk= 828, nxpk= 20, iat=2580,2568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 117 SER HN 116 SER HA 2.60 (# 830:20 Unique 2.35, 2.40 A)
&rst
ixpk= 830, nxpk= 20, iat=1902,1893, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 116 SER HN 116 SER HA 3.50 (# 831:20 Unique 2.81, 2.88 A)
&rst
ixpk= 831, nxpk= 20, iat=1891,1893, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 118 THR HN 116 SER HA 4.40 (# 832:20 Unique 4.56, 4.71 A)
&rst
ixpk= 832, nxpk= 20, iat=1913,1893, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 116 SER HB- 116 SER HA 2.60 (# 833:20 Unique 2.37, 2.79 A)
&rst
ixpk= 833, nxpk= 20, iat= -1,1893, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1895,1896,
&end
#
# 116 SER HB+ 116 SER HA 2.60 (# 834:20 Unique 2.37, 2.79 A)
&rst
ixpk= 834, nxpk= 20, iat= -1,1893, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1895,1896,
&end
#
# 34 GLN HA 34 GLN HB- 5.50 (# 835:20 Unique 2.37, 2.79 A)
&rst
ixpk= 835, nxpk= 20, iat= 536, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 538, 539,
&end
#
# 34 GLN HA 34 GLN HB+ 5.50 (# 836:20 Unique 2.37, 2.79 A)
&rst
ixpk= 836, nxpk= 20, iat= 536, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 538, 539,
&end
#
# 0 AMB 20-2:840 66 ARG HB- 3.50 (# 840:20 Single Ambig)
&rst
ixpk= 840, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1745,1746,1747,1749,1750,1751,1073,1074,1075,1077,
1078,1079,
igr2=1025,1026,
&end
#
# 105 VAL MGY 66 ARG HB- 3.50 (# 841:20 Unique 2.68, 5.86 A)
&rst
ixpk= 841, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1745,1746,1747,1749,1750,1751,
igr2=1025,1026,
&end
#
# 89 LYS HG- 89 LYS HB- 2.60 (# 842:20 Unique 2.32, 2.71 A)
&rst
ixpk= 842, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1461,1462,
igr2=1458,1459,
&end
#
# 78 LYS HG- 78 LYS HB- 2.60 (# 843:20 Unique 2.21, 2.65 A)
&rst
ixpk= 843, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1251,1252,
igr2=1248,1249,
&end
#
# 66 ARG HD+ 66 ARG HB- 3.50 (# 844:20 Unique 2.24, 3.42 A)
&rst
ixpk= 844, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1031,1032,
igr2=1025,1026,
&end
#
# 89 LYS HA 89 LYS HB- 2.60 (# 845:20 Unique 2.27, 2.48 A)
&rst
ixpk= 845, nxpk= 20, iat=1456, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1458,1459,
&end
#
# 0 AMB 20-2:846 0 AMB 20-1:846 4.10 (# 846:20 Double Ambig)
&rst
ixpk= 846, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.80, r4= 6.55,
igr1=1486,1722,
igr2=1458,1459,1025,1026,
&end
#
# 66 ARG HA 66 ARG HB- 2.60 (# 847:20 Unique 2.31, 2.45 A)
&rst
ixpk= 847, nxpk= 20, iat=1023, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1025,1026,
&end
#
# 89 LYS HN 89 LYS HB- 3.50 (# 849:20 Unique 2.13, 2.79 A)
&rst
ixpk= 849, nxpk= 20, iat=1454, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1458,1459,
&end
#
# 66 ARG HN 66 ARG HB- 3.50 (# 850:20 Unique 2.98, 3.49 A)
&rst
ixpk= 850, nxpk= 20, iat=1021, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1025,1026,
&end
#
# 67 ILE HN 66 ARG HB- 3.50 (# 851:20 Unique 2.88, 3.61 A)
&rst
ixpk= 851, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1025,1026,
&end
#
# 0 AMB 20-2:853 34 GLN HA 5.50 (# 853:20 Single Ambig)
&rst
ixpk= 853, nxpk= 20, iat= -1, 536, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 369,2149,2154,
&end
#
# 0 AMB 20-2:858 0 AMB 20-1:858 5.50 (# 858:20 Double Ambig)
&rst
ixpk= 858, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1384,1385,1483,1484, 656, 657,
igr2=1430, 66,
&end
#
# 35 PHE HA 35 PHE HB+ 5.50 (# 860:20 Unique 2.36, 2.78 A)
&rst
ixpk= 860, nxpk= 20, iat= 553, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 555, 556,
&end
#
# 35 PHE HA 35 PHE HB- 3.50 (# 861:20 Unique 2.36, 2.78 A)
&rst
ixpk= 861, nxpk= 20, iat= 553, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 555, 556,
&end
#
# 43 GLY HN 42 PRO HB+ 4.40 (# 870:20 Unique 4.13, 4.39 A)
&rst
ixpk= 870, nxpk= 20, iat= 663, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 656, 657,
&end
#
# 0 AMB 20-2:871 0 AMB 20-1:871 5.50 (# 871:20 Double Ambig)
&rst
ixpk= 871, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1720, 663, 879,
igr2=1707,1708, 656, 657, 578, 579,
&end
#
# 103 GLN HE2+ 103 GLN HB+ 5.50 (# 872:20 Unique 1.93, 3.70 A)
&rst
ixpk= 872, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1715,1716,
igr2=1707,1708,
&end
#
# 42 PRO HA 42 PRO HB+ 2.60 (# 873:20 Unique 2.30, 2.51 A)
&rst
ixpk= 873, nxpk= 20, iat= 659, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 656, 657,
&end
#
# 42 PRO HA 42 PRO HB- 3.50 (# 874:20 Unique 2.30, 2.51 A)
&rst
ixpk= 874, nxpk= 20, iat= 659, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 656, 657,
&end
#
# 42 PRO HD+ 42 PRO HB+ 4.40 (# 875:20 Unique 2.98, 3.70 A)
&rst
ixpk= 875, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 650, 651,
igr2= 656, 657,
&end
#
# 42 PRO HD+ 42 PRO HB- 5.50 (# 876:20 Unique 2.98, 3.70 A)
&rst
ixpk= 876, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 650, 651,
igr2= 656, 657,
&end
#
# 42 PRO HD- 42 PRO HB+ 5.50 (# 877:20 Unique 2.98, 3.70 A)
&rst
ixpk= 877, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 650, 651,
igr2= 656, 657,
&end
#
# 42 PRO HD- 42 PRO HB- 5.50 (# 878:20 Unique 2.98, 3.70 A)
&rst
ixpk= 878, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 650, 651,
igr2= 656, 657,
&end
#
# 0 AMB 20-2:880 0 AMB 20-1:880 2.60 (# 880:20 Double Ambig)
&rst
ixpk= 880, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1= 653, 654, 8, 9,
igr2= 656, 657, 656, 657,
&end
#
# 0 AMB 20-2:881 0 AMB 20-1:881 2.60 (# 881:20 Double Ambig)
&rst
ixpk= 881, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.28, r4= 5.03,
igr1= 15, 16, 17, 653, 654,
igr2= 656, 657, 656, 657,
&end
#
# 0 AMB 20-2:882 0 AMB 20-1:882 2.60 (# 882:20 Double Ambig)
&rst
ixpk= 882, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1= 15, 16, 17,1710,1711, 653, 654,
igr2= 656, 657,1707,1708,
&end
#
# 0 AMB 20-2:883 0 AMB 20-1:883 2.60 (# 883:20 Double Ambig)
&rst
ixpk= 883, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1= 883, 884, 653, 654,
igr2= 578, 579, 656, 657,
&end
#
# 42 PRO HB- 42 PRO HG+ 2.60 (# 886:20 Unique 2.32, 2.58 A)
&rst
ixpk= 886, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 656, 657,
igr2= 653, 654,
&end
#
# 42 PRO HB- 42 PRO HG- 2.60 (# 887:20 Unique 2.32, 2.58 A)
&rst
ixpk= 887, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 656, 657,
igr2= 653, 654,
&end
#
# 42 PRO HB+ 42 PRO HG+ 2.60 (# 888:20 Unique 2.32, 2.58 A)
&rst
ixpk= 888, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 656, 657,
igr2= 653, 654,
&end
#
# 42 PRO HB+ 42 PRO HG- 2.60 (# 889:20 Unique 2.32, 2.58 A)
&rst
ixpk= 889, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 656, 657,
igr2= 653, 654,
&end
#
# 41 ASN HB+ 42 PRO HG- 5.50 (# 891:20 Unique 3.65, 5.03 A)
&rst
ixpk= 891, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 639, 640,
igr2= 653, 654,
&end
#
# 42 PRO HD- 42 PRO HG+ 3.50 (# 892:20 Unique 2.30, 2.58 A)
&rst
ixpk= 892, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 650, 651,
igr2= 653, 654,
&end
#
# 42 PRO HD- 42 PRO HG- 3.50 (# 893:20 Unique 2.30, 2.58 A)
&rst
ixpk= 893, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 650, 651,
igr2= 653, 654,
&end
#
# 42 PRO HD+ 42 PRO HG+ 3.50 (# 894:20 Unique 2.30, 2.58 A)
&rst
ixpk= 894, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 650, 651,
igr2= 653, 654,
&end
#
# 42 PRO HD+ 42 PRO HG- 3.50 (# 895:20 Unique 2.30, 2.58 A)
&rst
ixpk= 895, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 650, 651,
igr2= 653, 654,
&end
#
# 42 PRO HA 42 PRO HG+ 4.40 (# 896:20 Unique 3.85, 3.94 A)
&rst
ixpk= 896, nxpk= 20, iat= 659, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 653, 654,
&end
#
# 42 PRO HA 42 PRO HG- 4.40 (# 897:20 Unique 3.85, 3.94 A)
&rst
ixpk= 897, nxpk= 20, iat= 659, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 653, 654,
&end
#
# 41 ASN HA 42 PRO HG- 4.40 (# 899:20 Unique 4.54, 4.59 A)
&rst
ixpk= 899, nxpk= 20, iat= 637, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 653, 654,
&end
#
# 41 ASN HA 42 PRO HG+ 4.40 (# 900:20 Unique 4.54, 4.59 A)
&rst
ixpk= 900, nxpk= 20, iat= 637, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 653, 654,
&end
#
# 41 ASN HN 42 PRO HD+ 5.50 (# 902:20 Unique 4.63, 4.89 A)
&rst
ixpk= 902, nxpk= 20, iat= 635, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 650, 651,
&end
#
# 44 GLU HN 42 PRO HD- 5.50 (# 903:20 Unique 4.56, 5.54 A)
&rst
ixpk= 903, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 650, 651,
&end
#
# 41 ASN HD2+ 42 PRO HD+ 5.50 (# 904:20 Unique 1.97, 3.69 A)
&rst
ixpk= 904, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 644, 645,
igr2= 650, 651,
&end
#
# 41 ASN HD2+ 42 PRO HD- 5.50 (# 905:20 Unique 1.97, 3.69 A)
&rst
ixpk= 905, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 644, 645,
igr2= 650, 651,
&end
#
# 41 ASN HD2- 42 PRO HD- 5.50 (# 906:20 Unique 1.97, 3.69 A)
&rst
ixpk= 906, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 644, 645,
igr2= 650, 651,
&end
#
# 41 ASN HD2- 42 PRO HD+ 5.50 (# 907:20 Unique 1.97, 3.69 A)
&rst
ixpk= 907, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 644, 645,
igr2= 650, 651,
&end
#
# 41 ASN HA 42 PRO HD- 2.60 (# 909:20 Unique 2.35, 2.45 A)
&rst
ixpk= 909, nxpk= 20, iat= 637, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 650, 651,
&end
#
# 41 ASN HA 42 PRO HD+ 2.60 (# 910:20 Unique 2.35, 2.45 A)
&rst
ixpk= 910, nxpk= 20, iat= 637, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 650, 651,
&end
#
# 41 ASN HB+ 42 PRO HD+ 3.50 (# 911:20 Unique 1.83, 3.47 A)
&rst
ixpk= 911, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 639, 640,
igr2= 650, 651,
&end
#
# 41 ASN HB+ 42 PRO HD- 3.50 (# 912:20 Unique 1.83, 3.47 A)
&rst
ixpk= 912, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 639, 640,
igr2= 650, 651,
&end
#
# 41 ASN HB- 42 PRO HD- 3.50 (# 913:20 Unique 1.83, 3.47 A)
&rst
ixpk= 913, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 639, 640,
igr2= 650, 651,
&end
#
# 41 ASN HB- 42 PRO HD+ 4.40 (# 914:20 Unique 1.83, 3.47 A)
&rst
ixpk= 914, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 639, 640,
igr2= 650, 651,
&end
#
# 42 PRO HB+ 42 PRO HD- 4.40 (# 915:20 Unique 2.98, 3.70 A)
&rst
ixpk= 915, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 656, 657,
igr2= 650, 651,
&end
#
# 42 PRO HB+ 42 PRO HD+ 5.50 (# 916:20 Unique 2.98, 3.70 A)
&rst
ixpk= 916, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 656, 657,
igr2= 650, 651,
&end
#
# 0 AMB 20-2:917 0 AMB 20-1:917 3.50 (# 917:20 Double Ambig)
&rst
ixpk= 917, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 653, 654, 8, 9,
igr2= 650, 651, 650, 651,
&end
#
# 0 AMB 20-2:918 42 PRO HD- 2.60 (# 918:20 Single Ambig)
&rst
ixpk= 918, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1= 653, 654, 8, 9,
igr2= 650, 651,
&end
#
# 0 AMB 20-2:919 42 PRO HD- 3.50 (# 919:20 Single Ambig)
&rst
ixpk= 919, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 653, 654, 15, 16, 17,
igr2= 650, 651,
&end
#
# 0 AMB 20-2:920 0 AMB 20-1:920 3.50 (# 920:20 Double Ambig)
&rst
ixpk= 920, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 653, 654, 15, 16, 17,
igr2= 650, 651, 650, 651,
&end
#
# 42 PRO HB- 42 PRO HD+ 4.40 (# 921:20 Unique 2.98, 3.70 A)
&rst
ixpk= 921, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 656, 657,
igr2= 650, 651,
&end
#
# 42 PRO HB- 42 PRO HD- 3.50 (# 922:20 Unique 2.98, 3.70 A)
&rst
ixpk= 922, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 656, 657,
igr2= 650, 651,
&end
#
# 0 AMB 20-2:925 37 GLN HA 5.50 (# 925:20 Single Ambig)
&rst
ixpk= 925, nxpk= 20, iat= -1, 587, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1= 185, 186, 187, 834, 835, 836, 838, 839, 840, 227,
228, 229, 224, 225,
&end
#
# 37 GLN HB- 37 GLN HA 2.60 (# 926:20 Unique 2.32, 2.73 A)
&rst
ixpk= 926, nxpk= 20, iat= -1, 587, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 589, 590,
&end
#
# 37 GLN HB+ 37 GLN HA 2.60 (# 927:20 Unique 2.32, 2.73 A)
&rst
ixpk= 927, nxpk= 20, iat= -1, 587, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 589, 590,
&end
#
# 37 GLN HG+ 37 GLN HA 3.50 (# 928:20 Unique 2.17, 2.93 A)
&rst
ixpk= 928, nxpk= 20, iat= -1, 587, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 592, 593,
&end
#
# 0 AMB 20-2:929 37 GLN HA 3.50 (# 929:20 Single Ambig)
&rst
ixpk= 929, nxpk= 20, iat= -1, 587, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 174, 175, 174, 175,
&end
#
# 13 ILE HN 37 GLN HA 3.50 (# 931:20 Unique 3.28, 3.79 A)
&rst
ixpk= 931, nxpk= 20, iat= 179, 587, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 37 GLN HN 37 GLN HA 4.40 (# 932:20 Unique 2.92, 2.94 A)
&rst
ixpk= 932, nxpk= 20, iat= 585, 587, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 38 GLY HN 37 GLN HA 2.60 (# 933:20 Unique 2.20, 2.29 A)
&rst
ixpk= 933, nxpk= 20, iat= 602, 587, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 103 GLN HA 103 GLN HG+ 3.50 (# 934:20 Unique 2.74, 3.35 A)
&rst
ixpk= 934, nxpk= 20, iat=1705, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1710,1711,
&end
#
# 37 GLN HA 37 GLN HB- 3.50 (# 936:20 Unique 2.32, 2.73 A)
&rst
ixpk= 936, nxpk= 20, iat= 587, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 589, 590,
&end
#
# 40 ILE QD1 9 PRO HB+ 2.60 (# 937:20 Unique 2.00, 3.74 A)
&rst
ixpk= 937, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 629, 630, 631,
igr2= 135, 136,
&end
#
# 0 AMB 20-2:938 0 AMB 20-1:938 3.50 (# 938:20 Double Ambig)
&rst
ixpk= 938, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 620, 626, 627,
igr2= 135, 136, 135, 136,
&end
#
# 111 ILE QG2 58 VAL HB 4.40 (# 939:20 Unique 2.37, 5.25 A)
&rst
ixpk= 939, nxpk= 20, iat= -1, 898, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr1=1816,1817,1818,
&end
#
# 0 AMB 20-2:940 58 VAL HB 3.50 (# 940:20 Single Ambig)
&rst
ixpk= 940, nxpk= 20, iat= -1, 898, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
&end
#
# 0 AMB 20-2:941 58 VAL HB 2.60 (# 941:20 Single Ambig)
&rst
ixpk= 941, nxpk= 20, iat= -1, 898, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 900, 901, 902, 904, 905, 906, 900, 901, 902, 904,
905, 906,
&end
#
# 95 GLN HA 95 GLN HG- 5.50 (# 943:20 Unique 3.25, 3.78 A)
&rst
ixpk= 943, nxpk= 20, iat=1545, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1550,1551,
&end
#
# 60 LEU HN 58 VAL HB 3.80 (# 944:20 Unique 2.48, 3.29 A)
&rst
ixpk= 944, nxpk= 20, iat= 917, 898, r1= 0.00, r2= 1.80, r3= 3.80, r4= 4.55, &end
#
# 0 AMB 20-2:945 0 AMB 20-1:945 4.40 (# 945:20 Double Ambig)
&rst
ixpk= 945, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 894,1640,
igr2= 898, 592, 593,
&end
#
# 30 GLN HE2+ 30 GLN HG+ 3.50 (# 946:20 Unique 2.12, 3.20 A)
&rst
ixpk= 946, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 477, 478,
igr2= 472, 473,
&end
#
# 0 AMB 20-2:947 0 AMB 20-1:947 2.60 (# 947:20 Double Ambig)
&rst
ixpk= 947, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1= 465, 585,
igr2= 472, 473, 592, 593,
&end
#
# 38 GLY HN 37 GLN HG+ 3.50 (# 948:20 Unique 3.03, 4.46 A)
&rst
ixpk= 948, nxpk= 20, iat= 602, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 592, 593,
&end
#
# 11 VAL HN 39 GLY HA+ 4.40 (# 949:20 Unique 2.16, 3.38 A)
&rst
ixpk= 949, nxpk= 20, iat= 156, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 611, 612,
&end
#
# 38 GLY HN 38 GLY HA- 3.50 (# 950:20 Unique 2.51, 2.77 A)
&rst
ixpk= 950, nxpk= 20, iat= 602, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 604, 605,
&end
#
# 39 GLY HN 39 GLY HA+ 3.50 (# 951:20 Unique 2.29, 2.58 A)
&rst
ixpk= 951, nxpk= 20, iat= 609, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 611, 612,
&end
#
# 39 GLY HN 38 GLY HA- 3.50 (# 952:20 Unique 2.74, 3.25 A)
&rst
ixpk= 952, nxpk= 20, iat= 609, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 604, 605,
&end
#
# 40 ILE HN 39 GLY HA+ 3.50 (# 953:20 Unique 2.14, 2.60 A)
&rst
ixpk= 953, nxpk= 20, iat= 616, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 611, 612,
&end
#
# 10 ASN HD2+ 39 GLY HA+ 5.50 (# 954:20 Unique 3.17, 4.01 A)
&rst
ixpk= 954, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 151, 152,
igr2= 611, 612,
&end
#
# 10 ASN HA 39 GLY HA+ 3.50 (# 955:20 Unique 1.82, 2.70 A)
&rst
ixpk= 955, nxpk= 20, iat= 144, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 611, 612,
&end
#
# 39 GLY HA- 38 GLY HA- 4.40 (# 959:20 Unique 4.33, 4.86 A)
&rst
ixpk= 959, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 611, 612,
igr2= 604, 605,
&end
#
# 0 AMB 20-2:960 0 AMB 20-1:960 5.50 (# 960:20 Double Ambig)
&rst
ixpk= 960, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.17, r4=10.92,
igr1= 626, 627, 742, 743, 744,
igr2= 611, 612, 611, 612, 604, 605, 604, 605,
&end
#
# 0 AMB 20-2:961 0 AMB 20-1:961 5.50 (# 961:20 Double Ambig)
&rst
ixpk= 961, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=12.59, r4=13.34,
igr1= 132, 133, 111, 112, 829, 830, 108, 109, 108, 109,
1612,1613,
igr2= 611, 612, 611, 612, 604, 605, 611, 612, 611, 612,
611, 612,
&end
#
# 10 ASN HA 39 GLY HA- 3.50 (# 962:20 Unique 1.82, 2.70 A)
&rst
ixpk= 962, nxpk= 20, iat= 144, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 611, 612,
&end
#
# 40 ILE HN 39 GLY HA- 3.50 (# 963:20 Unique 2.14, 2.60 A)
&rst
ixpk= 963, nxpk= 20, iat= 616, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 611, 612,
&end
#
# 39 GLY HN 39 GLY HA- 2.60 (# 964:20 Unique 2.29, 2.58 A)
&rst
ixpk= 964, nxpk= 20, iat= 609, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 611, 612,
&end
#
# 41 ASN HN 40 ILE HA 3.50 (# 965:20 Unique 2.14, 2.17 A)
&rst
ixpk= 965, nxpk= 20, iat= 635, 618, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 40 ILE HN 40 ILE HA 5.50 (# 967:20 Unique 2.86, 2.91 A)
&rst
ixpk= 967, nxpk= 20, iat= 616, 618, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:968 40 ILE HA 2.60 (# 968:20 Single Ambig)
&rst
ixpk= 968, nxpk= 20, iat= -1, 618, r1= 0.00, r2= 1.80, r3= 3.40, r4= 4.15,
igr1= 742, 743, 744, 626, 627,
&end
#
# 40 ILE QG2 40 ILE HA 2.60 (# 969:20 Unique 2.34, 3.13 A)
&rst
ixpk= 969, nxpk= 20, iat= -1, 618, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr1= 622, 623, 624,
&end
#
# 40 ILE HG1+ 40 ILE HA 3.50 (# 970:20 Unique 2.45, 2.76 A)
&rst
ixpk= 970, nxpk= 20, iat= -1, 618, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 626, 627,
&end
#
# 0 AMB 20-2:971 40 ILE HB 2.60 (# 971:20 Single Ambig)
&rst
ixpk= 971, nxpk= 20, iat= -1, 620, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 622, 623, 624, 629, 630, 631,
&end
#
# 40 ILE HG1- 40 ILE HB 2.60 (# 972:20 Unique 2.42, 2.75 A)
&rst
ixpk= 972, nxpk= 20, iat= -1, 620, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 626, 627,
&end
#
# 9 PRO HG- 40 ILE HB 5.50 (# 973:20 Unique 2.00, 2.90 A)
&rst
ixpk= 973, nxpk= 20, iat= -1, 620, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 132, 133,
&end
#
# 9 PRO HB+ 40 ILE HB 5.50 (# 974:20 Unique 1.93, 2.77 A)
&rst
ixpk= 974, nxpk= 20, iat= -1, 620, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 135, 136,
&end
#
# 9 PRO HG+ 40 ILE HB 5.50 (# 975:20 Unique 2.00, 2.90 A)
&rst
ixpk= 975, nxpk= 20, iat= -1, 620, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 132, 133,
&end
#
# 40 ILE HA 40 ILE HB 5.50 (# 976:20 Unique 3.01, 3.02 A)
&rst
ixpk= 976, nxpk= 20, iat= 618, 620, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 40 ILE HN 40 ILE HB 3.50 (# 977:20 Unique 2.41, 2.50 A)
&rst
ixpk= 977, nxpk= 20, iat= 616, 620, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:978 40 ILE HB 5.50 (# 978:20 Single Ambig)
&rst
ixpk= 978, nxpk= 20, iat= -1, 620, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 151, 152,1171,
&end
#
# 40 ILE HN 40 ILE HG1+ 5.50 (# 980:20 Unique 2.07, 3.08 A)
&rst
ixpk= 980, nxpk= 20, iat= 616, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 626, 627,
&end
#
# 40 ILE HN 40 ILE HG1- 5.50 (# 981:20 Unique 2.07, 3.08 A)
&rst
ixpk= 981, nxpk= 20, iat= 616, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 626, 627,
&end
#
# 40 ILE QD1 40 ILE HG1- 2.60 (# 983:20 Unique 2.20, 2.62 A)
&rst
ixpk= 983, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 629, 630, 631,
igr2= 626, 627,
&end
#
# 40 ILE QD1 40 ILE HG1+ 2.60 (# 984:20 Unique 2.20, 2.62 A)
&rst
ixpk= 984, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 629, 630, 631,
igr2= 626, 627,
&end
#
# 40 ILE HA 40 ILE HG1+ 5.50 (# 985:20 Unique 2.45, 2.76 A)
&rst
ixpk= 985, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 626, 627,
&end
#
# 0 AMB 20-2:987 40 ILE QD1 4.40 (# 987:20 Single Ambig)
&rst
ixpk= 987, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 156, 635,
igr2= 629, 630, 631,
&end
#
# 0 AMB 20-2:988 40 ILE QD1 4.40 (# 988:20 Single Ambig)
&rst
ixpk= 988, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=1169, 733, 734,
igr2= 629, 630, 631,
&end
#
# 40 ILE HN 40 ILE QD1 3.50 (# 989:20 Unique 3.84, 4.63 A)
&rst
ixpk= 989, nxpk= 20, iat= 616, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 629, 630, 631,
&end
#
# 74 TRP HH2 40 ILE QD1 2.60 (# 990:20 Unique 3.30, 4.35 A)
&rst
ixpk= 990, nxpk= 20, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2= 629, 630, 631,
&end
#
# 0 AMB 20-2:991 40 ILE QD1 3.50 (# 991:20 Single Ambig)
&rst
ixpk= 991, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 158, 144,
igr2= 629, 630, 631,
&end
#
# 9 PRO HA 40 ILE QD1 4.40 (# 992:20 Unique 4.05, 5.09 A)
&rst
ixpk= 992, nxpk= 20, iat= 138, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2= 629, 630, 631,
&end
#
# 0 AMB 20-2:993 40 ILE QD1 5.50 (# 993:20 Single Ambig)
&rst
ixpk= 993, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 611, 612, 659,
igr2= 629, 630, 631,
&end
#
# 46 ALA HA 40 ILE QD1 2.60 (# 994:20 Unique 1.95, 3.34 A)
&rst
ixpk= 994, nxpk= 20, iat= 698, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2= 629, 630, 631,
&end
#
# 0 AMB 20-2:995 40 ILE QD1 3.50 (# 995:20 Single Ambig)
&rst
ixpk= 995, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 132, 133, 677, 678,1586,1587,
igr2= 629, 630, 631,
&end
#
# 9 PRO HB+ 40 ILE QD1 2.60 (# 996:20 Unique 2.00, 3.74 A)
&rst
ixpk= 996, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 135, 136,
igr2= 629, 630, 631,
&end
#
# 0 AMB 20-2:997 40 ILE QD1 2.60 (# 997:20 Single Ambig)
&rst
ixpk= 997, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.75, r4= 4.50,
igr1= 135, 136, 160,
igr2= 629, 630, 631,
&end
#
# 0 AMB 20-2:998 40 ILE QD1 2.60 (# 998:20 Single Ambig)
&rst
ixpk= 998, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1= 626, 627, 742, 743, 744, 700, 701, 702,
igr2= 629, 630, 631,
&end
#
# 98 LYS HD- 40 ILE QD1 4.40 (# 1001:20 Unique 1.94, 4.89 A)
&rst
ixpk= 1001, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1609,1610,
igr2= 629, 630, 631,
&end
#
# 40 ILE HG1+ 40 ILE QD1 2.60 (# 1002:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1002, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 626, 627,
igr2= 629, 630, 631,
&end
#
# 40 ILE HG1+ 40 ILE QG2 2.60 (# 1003:20 Unique 2.42, 3.50 A)
&rst
ixpk= 1003, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 626, 627,
igr2= 622, 623, 624,
&end
#
# 0 AMB 20-2:1004 40 ILE QG2 2.60 (# 1004:20 Single Ambig)
&rst
ixpk= 1004, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.08, r4= 4.83,
igr1= 742, 743, 744, 626, 627,
igr2= 622, 623, 624,
&end
#
# 9 PRO HB- 40 ILE QG2 3.50 (# 1005:20 Unique 3.19, 4.65 A)
&rst
ixpk= 1005, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 135, 136,
igr2= 622, 623, 624,
&end
#
# 0 AMB 20-2:1006 40 ILE QG2 3.50 (# 1006:20 Single Ambig)
&rst
ixpk= 1006, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
igr1= 135, 136, 15, 16, 17,1573,1574,
igr2= 622, 623, 624,
&end
#
# 44 GLU HB+ 40 ILE QG2 2.60 (# 1007:20 Unique 1.97, 3.37 A)
&rst
ixpk= 1007, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 674, 675,
igr2= 622, 623, 624,
&end
#
# 41 ASN HB- 40 ILE QG2 5.50 (# 1008:20 Unique 3.33, 5.05 A)
&rst
ixpk= 1008, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 639, 640,
igr2= 622, 623, 624,
&end
#
# 40 ILE HA 40 ILE QG2 2.60 (# 1009:20 Unique 2.34, 3.13 A)
&rst
ixpk= 1009, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2= 622, 623, 624,
&end
#
# 0 AMB 20-2:1011 40 ILE QG2 4.40 (# 1011:20 Single Ambig)
&rst
ixpk= 1011, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=1171, 151, 152,
igr2= 622, 623, 624,
&end
#
# 40 ILE HN 40 ILE QG2 4.40 (# 1012:20 Unique 4.28, 4.56 A)
&rst
ixpk= 1012, nxpk= 20, iat= 616, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2= 622, 623, 624,
&end
#
# 44 GLU HN 40 ILE QG2 4.40 (# 1013:20 Unique 2.76, 3.60 A)
&rst
ixpk= 1013, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2= 622, 623, 624,
&end
#
# 49 ALA HN 40 ILE QG2 4.40 (# 1014:20 Unique 3.79, 4.85 A)
&rst
ixpk= 1014, nxpk= 20, iat= 738, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2= 622, 623, 624,
&end
#
# 41 ASN HN 40 ILE QG2 3.50 (# 1016:20 Unique 2.06, 3.28 A)
&rst
ixpk= 1016, nxpk= 20, iat= 635, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 622, 623, 624,
&end
#
# 41 ASN HN 41 ASN HA 3.50 (# 1017:20 Unique 2.75, 2.79 A)
&rst
ixpk= 1017, nxpk= 20, iat= 635, 637, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 44 GLU HN 41 ASN HA 5.50 (# 1018:20 Unique 4.67, 5.03 A)
&rst
ixpk= 1018, nxpk= 20, iat= 670, 637, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 44 GLU HG- 41 ASN HB+ 5.50 (# 1021:20 Unique 2.00, 3.74 A)
&rst
ixpk= 1021, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 677, 678,
igr2= 639, 640,
&end
#
# 42 PRO HD- 41 ASN HB+ 3.50 (# 1022:20 Unique 1.83, 3.47 A)
&rst
ixpk= 1022, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 650, 651,
igr2= 639, 640,
&end
#
# 42 PRO HD- 41 ASN HB- 4.40 (# 1023:20 Unique 1.83, 3.47 A)
&rst
ixpk= 1023, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 650, 651,
igr2= 639, 640,
&end
#
# 42 PRO HD+ 41 ASN HB+ 5.50 (# 1024:20 Unique 1.83, 3.47 A)
&rst
ixpk= 1024, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 650, 651,
igr2= 639, 640,
&end
#
# 41 ASN HA 41 ASN HB+ 3.50 (# 1026:20 Unique 2.25, 2.82 A)
&rst
ixpk= 1026, nxpk= 20, iat= 637, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 639, 640,
&end
#
# 41 ASN HA 41 ASN HB- 5.50 (# 1027:20 Unique 2.25, 2.82 A)
&rst
ixpk= 1027, nxpk= 20, iat= 637, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 639, 640,
&end
#
# 41 ASN HD2- 41 ASN HB+ 4.40 (# 1028:20 Unique 2.12, 3.15 A)
&rst
ixpk= 1028, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 644, 645,
igr2= 639, 640,
&end
#
# 41 ASN HD2- 41 ASN HB- 5.50 (# 1029:20 Unique 2.12, 3.15 A)
&rst
ixpk= 1029, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 644, 645,
igr2= 639, 640,
&end
#
# 41 ASN HD2+ 41 ASN HB+ 5.50 (# 1030:20 Unique 2.12, 3.15 A)
&rst
ixpk= 1030, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 644, 645,
igr2= 639, 640,
&end
#
# 41 ASN HD2+ 41 ASN HB- 4.40 (# 1031:20 Unique 2.12, 3.15 A)
&rst
ixpk= 1031, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 644, 645,
igr2= 639, 640,
&end
#
# 41 ASN HN 41 ASN HB- 5.50 (# 1032:20 Unique 2.11, 2.81 A)
&rst
ixpk= 1032, nxpk= 20, iat= 635, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 639, 640,
&end
#
# 41 ASN HN 41 ASN HB+ 5.50 (# 1033:20 Unique 2.11, 2.81 A)
&rst
ixpk= 1033, nxpk= 20, iat= 635, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 639, 640,
&end
#
# 43 GLY HN 42 PRO HA 2.60 (# 1034:20 Unique 2.29, 2.40 A)
&rst
ixpk= 1034, nxpk= 20, iat= 663, 659, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 44 GLU HN 42 PRO HA 4.40 (# 1035:20 Unique 3.88, 4.10 A)
&rst
ixpk= 1035, nxpk= 20, iat= 670, 659, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 9 PRO HD+ 42 PRO HA 5.50 (# 1037:20 Unique 5.03, 5.73 A2.6)
&rst
ixpk= 1037, nxpk= 20, iat= -1, 659, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 129, 130,
&end
#
# 42 PRO HD+ 42 PRO HA 5.50 (# 1038:20 Unique 3.60, 3.85 A)
&rst
ixpk= 1038, nxpk= 20, iat= -1, 659, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 650, 651,
&end
#
# 43 GLY HA- 42 PRO HA 4.40 (# 1039:20 Unique 4.35, 4.40 A)
&rst
ixpk= 1039, nxpk= 20, iat= -1, 659, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 665, 666,
&end
#
# 42 PRO HD- 42 PRO HA 5.50 (# 1040:20 Unique 3.60, 3.85 A)
&rst
ixpk= 1040, nxpk= 20, iat= -1, 659, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 650, 651,
&end
#
# 42 PRO HB+ 42 PRO HA 2.60 (# 1041:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1041, nxpk= 20, iat= -1, 659, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 656, 657,
&end
#
# 0 AMB 20-2:1042 42 PRO HA 3.50 (# 1042:20 Single Ambig)
&rst
ixpk= 1042, nxpk= 20, iat= -1, 659, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 653, 654, 8, 9, 674, 675,
&end
#
# 1 MET ME 42 PRO HA 3.50 (# 1043:20 Unique 2.00, 3.35 A)
&rst
ixpk= 1043, nxpk= 20, iat= -1, 659, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 15, 16, 17,
&end
#
# 42 PRO HB- 42 PRO HA 2.60 (# 1044:20 Unique 2.30, 2.51 A)
&rst
ixpk= 1044, nxpk= 20, iat= -1, 659, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 656, 657,
&end
#
# 103 GLN HA 103 GLN HB+ 5.50 (# 1046:20 Unique 2.24, 2.62 A)
&rst
ixpk= 1046, nxpk= 20, iat=1705, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1707,1708,
&end
#
# 0 AMB 20-2:1047 104 LEU HA 3.50 (# 1047:20 Single Ambig)
&rst
ixpk= 1047, nxpk= 20, iat= -1,1722, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1011,1012,1013,1015,1016,1017,1745,1746,1747,1749,
1750,1751,
&end
#
# 104 LEU MDX 104 LEU HA 3.50 (# 1048:20 Unique 1.99, 3.66 A)
&rst
ixpk= 1048, nxpk= 20, iat= -1,1722, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1729,1730,1731,1733,1734,1735,
&end
#
# 44 GLU HG- 44 GLU HA 2.60 (# 1050:20 Unique 2.35, 3.11 A)
&rst
ixpk= 1050, nxpk= 20, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 677, 678,
&end
#
# 44 GLU HG+ 44 GLU HA 2.60 (# 1051:20 Unique 2.35, 3.11 A)
&rst
ixpk= 1051, nxpk= 20, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 677, 678,
&end
#
# 44 GLU HB+ 44 GLU HA 2.60 (# 1052:20 Unique 2.48, 2.82 A)
&rst
ixpk= 1052, nxpk= 20, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 674, 675,
&end
#
# 48 GLN HG+ 44 GLU HA 5.50 (# 1053:20 Unique 3.79, 4.95 A)
&rst
ixpk= 1053, nxpk= 20, iat= -1, 672, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 728, 729,
&end
#
# 0 AMB 20-2:1054 0 AMB 20-1:1054 4.40 (# 1054:20 Double Ambig)
&rst
ixpk= 1054, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.98, r4= 7.73,
igr1= 689, 690,1759,1760,1768,1769, 740, 723,
igr2= 672,1722,
&end
#
# 44 GLU HN 44 GLU HA 3.50 (# 1055:20 Unique 2.85, 2.93 A)
&rst
ixpk= 1055, nxpk= 20, iat= 670, 672, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 SER HN 44 GLU HA 2.60 (# 1056:20 Unique 2.22, 2.29 A)
&rst
ixpk= 1056, nxpk= 20, iat= 685, 672, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 43 GLY HN 44 GLU HA 5.50 (# 1057:20 Unique 4.62, 4.73 A)
&rst
ixpk= 1057, nxpk= 20, iat= 663, 672, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 105 VAL HN 104 LEU HA 3.50 (# 1058:20 Unique 2.14, 2.15 A)
&rst
ixpk= 1058, nxpk= 20, iat=1739,1722, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 45 SER HN 44 GLU HB+ 3.50 (# 1059:20 Unique 2.58, 3.60 A)
&rst
ixpk= 1059, nxpk= 20, iat= 685, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 674, 675,
&end
#
# 49 ALA HN 44 GLU HB+ 4.40 (# 1060:20 Unique 2.84, 4.12 A)
&rst
ixpk= 1060, nxpk= 20, iat= 738, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 674, 675,
&end
#
# 44 GLU HN 44 GLU HB+ 2.60 (# 1061:20 Unique 2.30, 2.83 A)
&rst
ixpk= 1061, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 674, 675,
&end
#
# 44 GLU HA 44 GLU HB+ 3.50 (# 1062:20 Unique 2.48, 2.82 A)
&rst
ixpk= 1062, nxpk= 20, iat= 672, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 674, 675,
&end
#
# 0 AMB 20-2:1063 0 AMB 20-1:1063 4.40 (# 1063:20 Double Ambig)
&rst
ixpk= 1063, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1= 790, 791, 793, 794, 814, 815,
igr2= 674, 675, 674, 675, 674, 675,
&end
#
# 49 ALA MB 44 GLU HB+ 4.40 (# 1064:20 Unique 1.99, 3.69 A)
&rst
ixpk= 1064, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 742, 743, 744,
igr2= 674, 675,
&end
#
# 40 ILE QG2 44 GLU HB+ 2.60 (# 1065:20 Unique 1.97, 3.37 A)
&rst
ixpk= 1065, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 622, 623, 624,
igr2= 674, 675,
&end
#
# 40 ILE QG2 44 GLU HG+ 4.40 (# 1066:20 Unique 3.05, 5.22 A)
&rst
ixpk= 1066, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 622, 623, 624,
igr2= 677, 678,
&end
#
# 40 ILE QG2 44 GLU HG- 4.40 (# 1067:20 Unique 3.05, 5.22 A)
&rst
ixpk= 1067, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 622, 623, 624,
igr2= 677, 678,
&end
#
# 49 ALA MB 44 GLU HG- 3.50 (# 1068:20 Unique 2.16, 4.56 A)
&rst
ixpk= 1068, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 742, 743, 744,
igr2= 677, 678,
&end
#
# 49 ALA MB 44 GLU HG+ 4.40 (# 1069:20 Unique 2.16, 4.56 A)
&rst
ixpk= 1069, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 742, 743, 744,
igr2= 677, 678,
&end
#
# 47 GLU HB- 47 GLU HG+ 2.60 (# 1070:20 Unique 2.21, 2.71 A)
&rst
ixpk= 1070, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 710, 711,
igr2= 713, 714,
&end
#
# 47 GLU HA 47 GLU HG+ 3.50 (# 1071:20 Unique 2.08, 2.76 A)
&rst
ixpk= 1071, nxpk= 20, iat= 708, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 713, 714,
&end
#
# 0 AMB 20-2:1072 0 AMB 20-1:1072 4.40 (# 1072:20 Double Ambig)
&rst
ixpk= 1072, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 740, 723,
igr2= 677, 678, 713, 714,
&end
#
# 44 GLU HA 44 GLU HG- 3.50 (# 1073:20 Unique 2.35, 3.11 A)
&rst
ixpk= 1073, nxpk= 20, iat= 672, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 677, 678,
&end
#
# 44 GLU HA 44 GLU HG+ 3.50 (# 1074:20 Unique 2.35, 3.11 A)
&rst
ixpk= 1074, nxpk= 20, iat= 672, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 677, 678,
&end
#
# 51 TYR HE 47 GLU HG+ 3.50 (# 1075:20 Unique 2.02, 3.84 A)
&rst
ixpk= 1075, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 775, 780,
igr2= 713, 714,
&end
#
# 0 AMB 20-2:1076 0 AMB 20-1:1076 3.50 (# 1076:20 Double Ambig)
&rst
ixpk= 1076, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 773, 782, 644, 645,
igr2= 713, 714, 677, 678,
&end
#
# 100 PHE HE 47 GLU HG+ 5.50 (# 1077:20 Unique 4.07, 6.74 A)
&rst
ixpk= 1077, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1655,1659,
igr2= 713, 714,
&end
#
# 44 GLU HN 44 GLU HG+ 3.50 (# 1078:20 Unique 4.32, 4.52 A)
&rst
ixpk= 1078, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 677, 678,
&end
#
# 44 GLU HN 44 GLU HG- 3.50 (# 1079:20 Unique 4.32, 4.52 A)
&rst
ixpk= 1079, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 677, 678,
&end
#
# 45 SER HN 44 GLU HG- 3.56 (# 1080:20 Unique 2.23, 3.68 A)
&rst
ixpk= 1080, nxpk= 20, iat= 685, -1, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,
igr2= 677, 678,
&end
#
# 45 SER HN 44 GLU HG+ 5.50 (# 1081:20 Unique 2.23, 3.68 A)
&rst
ixpk= 1081, nxpk= 20, iat= 685, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 677, 678,
&end
#
# 41 ASN HN 44 GLU HG+ 5.50 (# 1082:20 Unique 3.26, 4.38 A)
&rst
ixpk= 1082, nxpk= 20, iat= 635, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 677, 678,
&end
#
# 0 AMB 20-2:1089 45 SER HB- 3.50 (# 1089:20 Single Ambig)
&rst
ixpk= 1089, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 685, 706,
igr2= 689, 690,
&end
#
# 0 AMB 20-2:1090 0 AMB 20-1:1090 3.50 (# 1090:20 Double Ambig)
&rst
ixpk= 1090, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 685, 706,
igr2= 689, 690, 689, 690,
&end
#
# 46 ALA HN 45 SER HB+ 3.50 (# 1091:20 Unique 2.04, 2.86 A)
&rst
ixpk= 1091, nxpk= 20, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 689, 690,
&end
#
# 46 ALA HN 45 SER HB- 3.50 (# 1092:20 Unique 2.04, 2.86 A)
&rst
ixpk= 1092, nxpk= 20, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 689, 690,
&end
#
# 46 ALA HN 46 ALA HA 3.50 (# 1093:20 Unique 2.78, 2.82 A)
&rst
ixpk= 1093, nxpk= 20, iat= 696, 698, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 47 GLU HN 46 ALA HA 5.50 (# 1094:20 Unique 3.55, 3.55 A)
&rst
ixpk= 1094, nxpk= 20, iat= 706, 698, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 74 TRP HH2 46 ALA HA 5.50 (# 1095:20 Unique 4.01, 4.65 A)
&rst
ixpk= 1095, nxpk= 20, iat=1171, 698, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1096 46 ALA HA 2.60 (# 1096:20 Single Ambig)
&rst
ixpk= 1096, nxpk= 20, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1= 700, 701, 702, 626, 627, 742, 743, 744,
&end
#
# 40 ILE QD1 46 ALA HA 2.60 (# 1097:20 Unique 1.95, 3.34 A)
&rst
ixpk= 1097, nxpk= 20, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr1= 629, 630, 631,
&end
#
# 11 VAL MGY 46 ALA HA 2.60 (# 1098:20 Unique 2.69, 4.54 A)
&rst
ixpk= 1098, nxpk= 20, iat= -1, 698, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 98 LYS HB- 46 ALA MB 4.40 (# 1099:20 Unique 2.40, 4.72 A)
&rst
ixpk= 1099, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1603,1604,
igr2= 700, 701, 702,
&end
#
# 98 LYS HG- 46 ALA MB 3.50 (# 1100:20 Unique 2.00, 4.25 A)
&rst
ixpk= 1100, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1606,1607,
igr2= 700, 701, 702,
&end
#
# 98 LYS HD- 46 ALA MB 2.60 (# 1101:20 Unique 1.93, 2.79 A)
&rst
ixpk= 1101, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1609,1610,
igr2= 700, 701, 702,
&end
#
# 11 VAL MGY 46 ALA MB 2.60 (# 1102:20 Unique 3.30, 6.23 A)
&rst
ixpk= 1102, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1= 162, 163, 164, 166, 167, 168,
igr2= 700, 701, 702,
&end
#
# 40 ILE QD1 46 ALA MB 2.60 (# 1103:20 Unique 3.16, 5.09 A)
&rst
ixpk= 1103, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.75, r4= 4.50,
igr1= 629, 630, 631,
igr2= 700, 701, 702,
&end
#
# 98 LYS HE+ 46 ALA MB 3.50 (# 1104:20 Unique 3.27, 4.71 A)
&rst
ixpk= 1104, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1612,1613,
igr2= 700, 701, 702,
&end
#
# 0 AMB 20-2:1105 46 ALA MB 3.50 (# 1105:20 Single Ambig)
&rst
ixpk= 1105, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 710, 711, 713, 714,
igr2= 700, 701, 702,
&end
#
# 47 GLU HA 46 ALA MB 5.50 (# 1106:20 Unique 3.91, 4.81 A)
&rst
ixpk= 1106, nxpk= 20, iat= 708, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 700, 701, 702,
&end
#
# 46 ALA HA 46 ALA MB 2.60 (# 1107:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1107, nxpk= 20, iat= 698, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2= 700, 701, 702,
&end
#
# 45 SER HB+ 46 ALA MB 4.40 (# 1108:20 Unique 3.83, 5.39 A)
&rst
ixpk= 1108, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 689, 690,
igr2= 700, 701, 702,
&end
#
# 11 VAL HA 46 ALA MB 5.50 (# 1110:20 Unique 5.09, 6.70 A)
&rst
ixpk= 1110, nxpk= 20, iat= 158, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 700, 701, 702,
&end
#
# 100 PHE HE 46 ALA MB 3.50 (# 1111:20 Unique 2.48, 4.97 A)
&rst
ixpk= 1111, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1655,1659,
igr2= 700, 701, 702,
&end
#
# 74 TRP HH2 46 ALA MB 3.50 (# 1112:20 Unique 2.18, 4.08 A)
&rst
ixpk= 1112, nxpk= 20, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 700, 701, 702,
&end
#
# 74 TRP HZ2 46 ALA MB 4.40 (# 1113:20 Unique 3.38, 4.87 A)
&rst
ixpk= 1113, nxpk= 20, iat=1169, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2= 700, 701, 702,
&end
#
# 0 AMB 20-2:1114 46 ALA MB 4.40 (# 1114:20 Single Ambig)
&rst
ixpk= 1114, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 721, 172,
igr2= 700, 701, 702,
&end
#
# 0 AMB 20-2:1115 46 ALA MB 5.50 (# 1115:20 Single Ambig)
&rst
ixpk= 1115, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 738,1156,
igr2= 700, 701, 702,
&end
#
# 47 GLU HN 46 ALA MB 3.50 (# 1116:20 Unique 2.55, 3.36 A)
&rst
ixpk= 1116, nxpk= 20, iat= 706, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 700, 701, 702,
&end
#
# 46 ALA HN 46 ALA MB 2.60 (# 1117:20 Unique 2.06, 2.89 A)
&rst
ixpk= 1117, nxpk= 20, iat= 696, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2= 700, 701, 702,
&end
#
# 47 GLU HN 47 GLU HA 3.50 (# 1118:20 Unique 2.86, 2.86 A)
&rst
ixpk= 1118, nxpk= 20, iat= 706, 708, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 50 MET HN 47 GLU HA 3.50 (# 1119:20 Unique 3.42, 3.52 A)
&rst
ixpk= 1119, nxpk= 20, iat= 748, 708, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 GLN HN 47 GLU HA 5.50 (# 1120:20 Unique 3.53, 3.55 A)
&rst
ixpk= 1120, nxpk= 20, iat= 721, 708, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 51 TYR HD 47 GLU HA 5.50 (# 1121:20 Unique 2.91, 4.92 A)
&rst
ixpk= 1121, nxpk= 20, iat= -1, 708, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 773, 782,
&end
#
# 0 AMB 20-2:1122 47 GLU HA 3.50 (# 1122:20 Single Ambig)
&rst
ixpk= 1122, nxpk= 20, iat= -1, 708, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1655,1659, 733, 734,
&end
#
# 0 AMB 20-2:1124 47 GLU HA 5.50 (# 1124:20 Single Ambig)
&rst
ixpk= 1124, nxpk= 20, iat= -1, 708, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 723, 689, 690, 740,
&end
#
# 0 AMB 20-2:1125 47 GLU HA 2.60 (# 1125:20 Single Ambig)
&rst
ixpk= 1125, nxpk= 20, iat= -1, 708, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 713, 714, 710, 711,
&end
#
# 47 GLU HB- 47 GLU HA 2.60 (# 1126:20 Unique 2.45, 2.77 A)
&rst
ixpk= 1126, nxpk= 20, iat= -1, 708, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 710, 711,
&end
#
# 47 GLU HG- 47 GLU HA 2.60 (# 1127:20 Unique 2.08, 2.76 A)
&rst
ixpk= 1127, nxpk= 20, iat= -1, 708, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 713, 714,
&end
#
# 50 MET HB+ 47 GLU HA 2.60 (# 1128:20 Unique 2.31, 3.12 A)
&rst
ixpk= 1128, nxpk= 20, iat= -1, 708, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 752, 753,
&end
#
# 50 MET HB- 47 GLU HA 5.50 (# 1129:20 Unique 2.31, 3.12 A)
&rst
ixpk= 1129, nxpk= 20, iat= -1, 708, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 752, 753,
&end
#
# 0 AMB 20-2:1130 47 GLU HA 4.40 (# 1130:20 Single Ambig)
&rst
ixpk= 1130, nxpk= 20, iat= -1, 708, r1= 0.00, r2= 1.80, r3= 7.52, r4= 8.27,
igr1= 162, 163, 164, 166, 167, 168,1055,1056,1693,1694,
1695,1697,1698,1699,1609,1610, 185, 186, 187, 834,
835, 836, 838, 839, 840,
&end
#
# 50 MET ME 47 GLU HA 3.50 (# 1131:20 Unique 2.01, 3.13 A)
&rst
ixpk= 1131, nxpk= 20, iat= -1, 708, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 759, 760, 761,
&end
#
# 136 VAL MGX 141 ARG HB+ 3.50 (# 1133:20 Unique 1.98, 5.00 A)
&rst
ixpk= 1133, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2237,2238,2239,2241,2242,2243,
igr2=2320,2321,
&end
#
# 0 AMB 20-2:1134 0 AMB 20-1:1134 4.40 (# 1134:20 Double Ambig)
&rst
ixpk= 1134, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.71, r4= 9.46,
igr1= 900, 901, 902, 904, 905, 906, 900, 901, 902, 904,
905, 906,1058,1059,1060,
igr2= 883, 884, 710, 711,
&end
#
# 133 VAL MGX 0 AMB 20-1:1135 3.50 (# 1135:20 Single Ambig)
&rst
ixpk= 1135, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=2180,2181,2182,2184,2185,2186,
igr2=2457,2458,2194,2195,2320,2321,
&end
#
# 47 GLU HA 47 GLU HB+ 3.50 (# 1136:20 Unique 2.45, 2.77 A)
&rst
ixpk= 1136, nxpk= 20, iat= 708, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 710, 711,
&end
#
# 0 AMB 20-2:1137 0 AMB 20-1:1137 2.60 (# 1137:20 Double Ambig)
&rst
ixpk= 1137, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 708,2399,2400,
igr2= 710, 711,2320,2321,
&end
#
# 0 AMB 20-2:1138 0 AMB 20-1:1138 4.40 (# 1138:20 Double Ambig)
&rst
ixpk= 1138, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.98, r4= 7.73,
igr1=1653,1661,2214,1171,
igr2= 710, 711,2320,2321,
&end
#
# 135 GLN HN 135 GLN HB+ 2.60 (# 1139:20 Unique 2.45, 3.17 A)
&rst
ixpk= 1139, nxpk= 20, iat=2214, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2218,2219,
&end
#
# 141 ARG HN 141 ARG HB+ 4.40 (# 1140:20 Unique 2.10, 2.87 A)
&rst
ixpk= 1140, nxpk= 20, iat=2316, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2320,2321,
&end
#
# 48 GLN HN 47 GLU HB- 3.50 (# 1141:20 Unique 2.45, 3.12 A)
&rst
ixpk= 1141, nxpk= 20, iat= 721, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 710, 711,
&end
#
# 48 GLN HN 47 GLU HB+ 5.50 (# 1142:20 Unique 2.45, 3.12 A)
&rst
ixpk= 1142, nxpk= 20, iat= 721, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 710, 711,
&end
#
# 0 AMB 20-2:1143 0 AMB 20-1:1143 3.50 (# 1143:20 Double Ambig)
&rst
ixpk= 1143, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2329, 706,
igr2=2320,2321, 710, 711,
&end
#
# 47 GLU HN 47 GLU HB+ 3.50 (# 1144:20 Unique 2.20, 2.56 A)
&rst
ixpk= 1144, nxpk= 20, iat= 706, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 710, 711,
&end
#
# 138 SER HN 141 ARG HB+ 5.50 (# 1145:20 Unique 3.74, 5.23 A)
&rst
ixpk= 1145, nxpk= 20, iat=2263, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2320,2321,
&end
#
# 0 AMB 20-2:1148 0 AMB 20-1:1148 4.40 (# 1148:20 Double Ambig)
&rst
ixpk= 1148, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 706, 810,
igr2= 713, 714, 677, 678,
&end
#
# 47 GLU HN 47 GLU HG- 4.40 (# 1149:20 Unique 4.16, 4.46 A)
&rst
ixpk= 1149, nxpk= 20, iat= 706, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 713, 714,
&end
#
# 44 GLU HN 44 GLU HG- 3.50 (# 1150:20 Unique 4.32, 4.52 A)
&rst
ixpk= 1150, nxpk= 20, iat= 670, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 677, 678,
&end
#
# 51 TYR HD 47 GLU HG- 3.50 (# 1151:20 Unique 2.61, 4.24 A)
&rst
ixpk= 1151, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 773, 782,
igr2= 713, 714,
&end
#
# 0 AMB 20-2:1152 47 GLU HG- 5.50 (# 1152:20 Single Ambig)
&rst
ixpk= 1152, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 733, 734,1655,1659,
igr2= 713, 714,
&end
#
# 51 TYR HE 47 GLU HG- 4.40 (# 1153:20 Unique 2.02, 3.84 A)
&rst
ixpk= 1153, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 775, 780,
igr2= 713, 714,
&end
#
# 0 AMB 20-2:1154 0 AMB 20-1:1154 5.50 (# 1154:20 Double Ambig)
&rst
ixpk= 1154, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 723, 689, 690,1759,1760,1047,
igr2= 713, 714,1009,
&end
#
# 47 GLU HA 47 GLU HG- 3.50 (# 1155:20 Unique 2.08, 2.76 A)
&rst
ixpk= 1155, nxpk= 20, iat= 708, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 713, 714,
&end
#
# 47 GLU HB- 47 GLU HG- 2.60 (# 1157:20 Unique 2.21, 2.71 A)
&rst
ixpk= 1157, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 710, 711,
igr2= 713, 714,
&end
#
# 67 ILE QD1 47 GLU HG+ 3.50 (# 1158:20 Unique 2.01, 4.18 A)
&rst
ixpk= 1158, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1058,1059,1060,
igr2= 713, 714,
&end
#
# 50 MET ME 47 GLU HG+ 3.50 (# 1159:20 Unique 2.39, 4.09 A)
&rst
ixpk= 1159, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 759, 760, 761,
igr2= 713, 714,
&end
#
# 50 MET ME 47 GLU HG- 3.50 (# 1160:20 Unique 2.39, 4.09 A)
&rst
ixpk= 1160, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 759, 760, 761,
igr2= 713, 714,
&end
#
# 0 AMB 20-2:1161 0 AMB 20-1:1161 2.60 (# 1161:20 Double Ambig)
&rst
ixpk= 1161, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.90, r4= 5.65,
igr1=1693,1694,1695,1697,1698,1699,1058,1059,1060,1011,
1012,1013,1015,1016,1017,
igr2=1009, 713, 714,
&end
#
# 150 GLU HB- 150 GLU HA 2.60 (# 1162:20 Unique 2.36, 2.81 A)
&rst
ixpk= 1162, nxpk= 20, iat= -1,2494, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2496,2497,
&end
#
# 150 GLU HB+ 150 GLU HA 2.60 (# 1163:20 Unique 2.36, 2.81 A)
&rst
ixpk= 1163, nxpk= 20, iat= -1,2494, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2496,2497,
&end
#
# 150 GLU HG- 150 GLU HA 2.60 (# 1164:20 Unique 2.05, 3.07 A)
&rst
ixpk= 1164, nxpk= 20, iat= -1,2494, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2499,2500,
&end
#
# 150 GLU HG+ 150 GLU HA 2.60 (# 1165:20 Unique 2.05, 3.07 A)
&rst
ixpk= 1165, nxpk= 20, iat= -1,2494, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2499,2500,
&end
#
# 51 TYR HB- 48 GLN HA 4.40 (# 1166:20 Unique 2.74, 3.70 A)
&rst
ixpk= 1166, nxpk= 20, iat= -1, 723, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 769, 770,
&end
#
# 51 TYR HB+ 48 GLN HA 4.40 (# 1167:20 Unique 2.74, 3.70 A)
&rst
ixpk= 1167, nxpk= 20, iat= -1, 723, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 769, 770,
&end
#
# 48 GLN HE2- 48 GLN HA 5.50 (# 1169:20 Unique 2.52, 3.27 A)
&rst
ixpk= 1169, nxpk= 20, iat= -1, 723, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 733, 734,
&end
#
# 51 TYR HD 48 GLN HA 3.50 (# 1170:20 Unique 4.59, 5.13 A)
&rst
ixpk= 1170, nxpk= 20, iat= -1, 723, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 773, 782,
&end
#
# 48 GLN HN 48 GLN HA 3.50 (# 1171:20 Unique 2.78, 2.79 A)
&rst
ixpk= 1171, nxpk= 20, iat= 721, 723, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 51 TYR HN 48 GLN HA 5.50 (# 1172:20 Unique 3.74, 3.84 A)
&rst
ixpk= 1172, nxpk= 20, iat= 765, 723, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1173 0 AMB 20-1:1173 4.40 (# 1173:20 Double Ambig)
&rst
ixpk= 1173, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 738,2470,
igr2= 723,2494,
&end
#
# 45 SER HN 48 GLN HB+ 4.40 (# 1175:20 Unique 1.94, 2.76 A)
&rst
ixpk= 1175, nxpk= 20, iat= 685, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 725, 726,
&end
#
# 114 GLN HN 114 GLN HB+ 3.50 (# 1176:20 Unique 2.66, 3.38 A)
&rst
ixpk= 1176, nxpk= 20, iat=1860, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1864,1865,
&end
#
# 0 AMB 20-2:1177 0 AMB 20-1:1177 3.50 (# 1177:20 Double Ambig)
&rst
ixpk= 1177, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 299, 748,
igr2= 286, 287, 725, 726,
&end
#
# 48 GLN HN 48 GLN HB+ 3.50 (# 1178:20 Unique 2.40, 3.05 A)
&rst
ixpk= 1178, nxpk= 20, iat= 721, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 725, 726,
&end
#
# 44 GLU HA 48 GLN HB- 4.40 (# 1179:20 Unique 3.27, 4.03 A)
&rst
ixpk= 1179, nxpk= 20, iat= 672, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 725, 726,
&end
#
# 48 GLN HG+ 48 GLN HB+ 2.60 (# 1181:20 Unique 2.34, 2.57 A)
&rst
ixpk= 1181, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 728, 729,
igr2= 725, 726,
&end
#
# 0 AMB 20-2:1186 0 AMB 20-1:1186 5.50 (# 1186:20 Double Ambig)
&rst
ixpk= 1186, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
igr1=1931,1932, 742, 743, 744, 626, 627,
igr2=1864,1865, 725, 726, 725, 726,
&end
#
# 47 GLU HB- 48 GLN HG+ 4.40 (# 1187:20 Unique 3.35, 5.13 A)
&rst
ixpk= 1187, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 710, 711,
igr2= 728, 729,
&end
#
# 48 GLN HB- 48 GLN HG+ 2.60 (# 1188:20 Unique 2.34, 2.57 A)
&rst
ixpk= 1188, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 725, 726,
igr2= 728, 729,
&end
#
# 48 GLN HB+ 48 GLN HG+ 2.60 (# 1189:20 Unique 2.34, 2.57 A)
&rst
ixpk= 1189, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 725, 726,
igr2= 728, 729,
&end
#
# 0 AMB 20-2:1190 0 AMB 20-1:1190 2.60 (# 1190:20 Double Ambig)
&rst
ixpk= 1190, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 689, 690, 723,
igr2= 728, 729, 728, 729,
&end
#
# 51 TYR HE 48 GLN HG+ 5.50 (# 1191:20 Unique 7.63, 9.03 A)
&rst
ixpk= 1191, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 775, 780,
igr2= 728, 729,
&end
#
# 48 GLN HE2- 48 GLN HG+ 3.50 (# 1192:20 Unique 2.12, 3.26 A)
&rst
ixpk= 1192, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 733, 734,
igr2= 728, 729,
&end
#
# 48 GLN HE2+ 48 GLN HG+ 2.60 (# 1193:20 Unique 2.12, 3.26 A)
&rst
ixpk= 1193, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 733, 734,
igr2= 728, 729,
&end
#
# 48 GLN HN 48 GLN HG+ 2.60 (# 1194:20 Unique 1.98, 2.93 A)
&rst
ixpk= 1194, nxpk= 20, iat= 721, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 728, 729,
&end
#
# 0 AMB 20-2:1195 0 AMB 20-1:1195 3.50 (# 1195:20 Double Ambig)
&rst
ixpk= 1195, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 685, 706,
igr2= 728, 729, 728, 729,
&end
#
# 49 ALA HN 48 GLN HG+ 5.50 (# 1196:20 Unique 3.99, 4.57 A)
&rst
ixpk= 1196, nxpk= 20, iat= 738, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 728, 729,
&end
#
# 126 TRP HN 125 ARG HA 3.50 (# 1197:20 Unique 2.14, 2.21 A)
&rst
ixpk= 1197, nxpk= 20, iat=2043,2021, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 49 ALA HN 49 ALA HA 3.50 (# 1198:20 Unique 2.82, 2.85 A)
&rst
ixpk= 1198, nxpk= 20, iat= 738, 740, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1199 0 AMB 20-1:1199 4.40 (# 1199:20 Double Ambig)
&rst
ixpk= 1199, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 786, 748,1995,
igr2= 740,2021,
&end
#
# 0 AMB 20-2:1202 0 AMB 20-1:1202 4.40 (# 1202:20 Double Ambig)
&rst
ixpk= 1202, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 796, 797,1999,2000,2047,2048,
igr2= 740,2021,
&end
#
# 0 AMB 20-2:1203 49 ALA HA 3.50 (# 1203:20 Single Ambig)
&rst
ixpk= 1203, nxpk= 20, iat= -1, 740, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 677, 678, 674, 675,
&end
#
# 49 ALA MB 49 ALA HA 2.60 (# 1204:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1204, nxpk= 20, iat= -1, 740, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr1= 742, 743, 744,
&end
#
# 0 AMB 20-2:1205 0 AMB 20-1:1205 2.60 (# 1205:20 Double Ambig)
&rst
ixpk= 1205, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2023,2024, 790, 791, 793, 794,
igr2=2021, 740,
&end
#
# 11 VAL MGX 49 ALA MB 2.60 (# 1206:20 Unique 1.99, 4.63 A)
&rst
ixpk= 1206, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1= 162, 163, 164, 166, 167, 168,
igr2= 742, 743, 744,
&end
#
# 40 ILE HG1+ 49 ALA MB 3.50 (# 1207:20 Unique 2.00, 3.42 A)
&rst
ixpk= 1207, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 626, 627,
igr2= 742, 743, 744,
&end
#
# 40 ILE QG2 49 ALA MB 2.60 (# 1208:20 Unique 1.99, 3.33 A)
&rst
ixpk= 1208, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.75, r4= 4.50,
igr1= 622, 623, 624,
igr2= 742, 743, 744,
&end
#
# 44 GLU HB+ 49 ALA MB 2.60 (# 1209:20 Unique 1.99, 3.69 A)
&rst
ixpk= 1209, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 674, 675,
igr2= 742, 743, 744,
&end
#
# 46 ALA HA 49 ALA MB 3.50 (# 1210:20 Unique 3.18, 4.25 A)
&rst
ixpk= 1210, nxpk= 20, iat= 698, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 742, 743, 744,
&end
#
# 49 ALA HA 49 ALA MB 2.60 (# 1211:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1211, nxpk= 20, iat= 740, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2= 742, 743, 744,
&end
#
# 48 GLN HN 49 ALA MB 5.50 (# 1213:20 Unique 4.67, 5.52 A)
&rst
ixpk= 1213, nxpk= 20, iat= 721, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 742, 743, 744,
&end
#
# 50 MET HN 49 ALA MB 3.50 (# 1214:20 Unique 2.40, 3.36 A)
&rst
ixpk= 1214, nxpk= 20, iat= 748, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 742, 743, 744,
&end
#
# 49 ALA HN 49 ALA MB 2.60 (# 1215:20 Unique 2.13, 2.90 A)
&rst
ixpk= 1215, nxpk= 20, iat= 738, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2= 742, 743, 744,
&end
#
# 0 AMB 20-2:1216 49 ALA MB 4.40 (# 1216:20 Single Ambig)
&rst
ixpk= 1216, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 810, 602,
igr2= 742, 743, 744,
&end
#
# 41 ASN HN 49 ALA MB 3.50 (# 1217:20 Unique 1.94, 3.28 A)
&rst
ixpk= 1217, nxpk= 20, iat= 635, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 742, 743, 744,
&end
#
# 52 ARG HE 49 ALA MB 5.50 (# 1218:20 Unique 3.70, 5.64 A)
&rst
ixpk= 1218, nxpk= 20, iat= 799, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 742, 743, 744,
&end
#
# 50 MET HN 50 MET HA 3.50 (# 1219:20 Unique 2.77, 2.80 A)
&rst
ixpk= 1219, nxpk= 20, iat= 748, 750, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1220 50 MET HA 5.50 (# 1220:20 Single Ambig)
&rst
ixpk= 1220, nxpk= 20, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 810, 602,
&end
#
# 51 TYR HN 50 MET HA 5.50 (# 1221:20 Unique 3.53, 3.54 A)
&rst
ixpk= 1221, nxpk= 20, iat= 765, 750, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1222 50 MET HA 5.50 (# 1222:20 Single Ambig)
&rst
ixpk= 1222, nxpk= 20, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 773, 782,1653,1661,
&end
#
# 0 AMB 20-2:1223 50 MET HA 5.50 (# 1223:20 Single Ambig)
&rst
ixpk= 1223, nxpk= 20, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 767, 740,
&end
#
# 53 GLU HG- 50 MET HA 4.40 (# 1225:20 Unique 2.00, 4.46 A)
&rst
ixpk= 1225, nxpk= 20, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 817, 818,
&end
#
# 11 VAL HB 50 MET HA 4.40 (# 1226:20 Unique 3.10, 3.57 A)
&rst
ixpk= 1226, nxpk= 20, iat= 160, 750, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 0 AMB 20-2:1227 50 MET HA 2.60 (# 1227:20 Single Ambig)
&rst
ixpk= 1227, nxpk= 20, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 3.60, r4= 4.35,
igr1= 755, 756, 742, 743, 744, 829, 830,
&end
#
# 0 AMB 20-2:1228 50 MET HA 2.60 (# 1228:20 Single Ambig)
&rst
ixpk= 1228, nxpk= 20, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 752, 753, 755, 756,
&end
#
# 0 AMB 20-2:1229 50 MET HA 3.50 (# 1229:20 Single Ambig)
&rst
ixpk= 1229, nxpk= 20, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 752, 753, 189, 190,
&end
#
# 11 VAL MGY 50 MET HA 3.50 (# 1230:20 Unique 1.95, 4.16 A)
&rst
ixpk= 1230, nxpk= 20, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 11 VAL MGX 50 MET HA 2.60 (# 1231:20 Unique 1.95, 4.16 A)
&rst
ixpk= 1231, nxpk= 20, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:1232 50 MET HA 2.60 (# 1232:20 Single Ambig)
&rst
ixpk= 1232, nxpk= 20, iat= -1, 750, r1= 0.00, r2= 1.80, r3= 3.40, r4= 4.15,
igr1= 192, 193, 194, 189, 190,
&end
#
# 50 MET ME 50 MET HB+ 4.40 (# 1233:20 Unique 1.99, 3.49 A)
&rst
ixpk= 1233, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 759, 760, 761,
igr2= 752, 753,
&end
#
# 50 MET ME 50 MET HB- 4.40 (# 1234:20 Unique 1.99, 3.49 A)
&rst
ixpk= 1234, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 759, 760, 761,
igr2= 752, 753,
&end
#
# 11 VAL MGX 50 MET HB- 4.40 (# 1235:20 Unique 1.99, 4.71 A)
&rst
ixpk= 1235, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 162, 163, 164, 166, 167, 168,
igr2= 752, 753,
&end
#
# 50 MET HA 50 MET HB- 5.50 (# 1236:20 Unique 2.33, 2.69 A)
&rst
ixpk= 1236, nxpk= 20, iat= 750, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 752, 753,
&end
#
# 51 TYR HE 50 MET HB- 5.50 (# 1237:20 Unique 3.83, 6.82 A)
&rst
ixpk= 1237, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 775, 780,
igr2= 752, 753,
&end
#
# 50 MET HN 50 MET HB+ 4.40 (# 1239:20 Unique 2.28, 2.53 A)
&rst
ixpk= 1239, nxpk= 20, iat= 748, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 752, 753,
&end
#
# 50 MET HN 50 MET HB- 4.40 (# 1240:20 Unique 2.28, 2.53 A)
&rst
ixpk= 1240, nxpk= 20, iat= 748, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 752, 753,
&end
#
# 51 TYR HD 50 MET HG+ 5.50 (# 1241:20 Unique 2.44, 5.83 A)
&rst
ixpk= 1241, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 773, 782,
igr2= 755, 756,
&end
#
# 129 TYR HD 155 VAL HB 5.50 (# 1243:20 Unique 3.37, 5.19 A)
&rst
ixpk= 1243, nxpk= 20, iat= -1,2568, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2102,2111,
&end
#
# 50 MET HA 50 MET HG- 5.50 (# 1244:20 Unique 2.50, 3.03 A)
&rst
ixpk= 1244, nxpk= 20, iat= 750, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 755, 756,
&end
#
# 50 MET HA 50 MET HG+ 4.40 (# 1245:20 Unique 2.50, 3.03 A)
&rst
ixpk= 1245, nxpk= 20, iat= 750, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 755, 756,
&end
#
# 50 MET ME 50 MET HG+ 3.50 (# 1246:20 Unique 2.27, 3.66 A)
&rst
ixpk= 1246, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 759, 760, 761,
igr2= 755, 756,
&end
#
# 50 MET ME 50 MET HG- 4.40 (# 1247:20 Unique 2.27, 3.66 A)
&rst
ixpk= 1247, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 759, 760, 761,
igr2= 755, 756,
&end
#
# 0 AMB 20-2:1248 50 MET HG- 5.50 (# 1248:20 Single Ambig)
&rst
ixpk= 1248, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 189, 190, 752, 753,
igr2= 755, 756,
&end
#
# 0 AMB 20-2:1249 0 AMB 20-1:1249 5.50 (# 1249:20 Double Ambig)
&rst
ixpk= 1249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 189, 190, 752, 753,
igr2= 755, 756, 755, 756,
&end
#
# 50 MET ME 0 AMB 20-1:1250 4.40 (# 1250:20 Single Ambig)
&rst
ixpk= 1250, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 759, 760, 761,
igr2= 767,1047,
&end
#
# 0 AMB 20-2:1251 0 AMB 20-1:1251 2.60 (# 1251:20 Double Ambig)
&rst
ixpk= 1251, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1693,1694,1695,1697,1698,1699, 834, 835, 836, 838,
839, 840, 834, 835, 836, 838, 839, 840,
igr2=1047, 767,
&end
#
# 0 AMB 20-2:1252 67 ILE HA 3.50 (# 1252:20 Single Ambig)
&rst
ixpk= 1252, nxpk= 20, iat= -1,1047, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1051,1052,1053,1073,1074,1075,1077,1078,1079,
&end
#
# 0 AMB 20-2:1253 67 ILE HA 3.50 (# 1253:20 Single Ambig)
&rst
ixpk= 1253, nxpk= 20, iat= -1,1047, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1688,1689,1055,1056,
&end
#
# 54 LEU HB+ 51 TYR HA 5.50 (# 1254:20 Unique 2.26, 3.01 A)
&rst
ixpk= 1254, nxpk= 20, iat= -1, 767, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 829, 830,
&end
#
# 51 TYR HB- 51 TYR HA 3.50 (# 1255:20 Unique 2.59, 2.82 A)
&rst
ixpk= 1255, nxpk= 20, iat= -1, 767, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 769, 770,
&end
#
# 51 TYR HB+ 51 TYR HA 3.50 (# 1256:20 Unique 2.59, 2.82 A)
&rst
ixpk= 1256, nxpk= 20, iat= -1, 767, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 769, 770,
&end
#
# 102 LEU HA 67 ILE HA 4.40 (# 1257:20 Unique 1.99, 2.40 A)
&rst
ixpk= 1257, nxpk= 20, iat=1686,1047, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 51 TYR HE 0 AMB 20-1:1258 5.50 (# 1258:20 Single Ambig)
&rst
ixpk= 1258, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 775, 780,
igr2= 767,1047,
&end
#
# 0 AMB 20-2:1259 0 AMB 20-1:1259 4.40 (# 1259:20 Double Ambig)
&rst
ixpk= 1259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 773, 782,1653,1661,
igr2= 767,1047,
&end
#
# 69 ALA HN 67 ILE HA 4.40 (# 1260:20 Unique 3.68, 3.84 A)
&rst
ixpk= 1260, nxpk= 20, iat=1083,1047, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 51 TYR HN 51 TYR HA 5.50 (# 1261:20 Unique 2.81, 2.82 A)
&rst
ixpk= 1261, nxpk= 20, iat= 765, 767, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1262 67 ILE HA 3.50 (# 1262:20 Single Ambig)
&rst
ixpk= 1262, nxpk= 20, iat= -1,1047, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1045,1703,
&end
#
# 68 LEU HN 67 ILE HA 3.50 (# 1263:20 Unique 2.14, 2.16 A)
&rst
ixpk= 1263, nxpk= 20, iat=1064,1047, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 51 TYR HN 51 TYR HB- 4.40 (# 1264:20 Unique 2.17, 2.86 A)
&rst
ixpk= 1264, nxpk= 20, iat= 765, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 769, 770,
&end
#
# 51 TYR HN 51 TYR HB+ 4.40 (# 1265:20 Unique 2.17, 2.86 A)
&rst
ixpk= 1265, nxpk= 20, iat= 765, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 769, 770,
&end
#
# 51 TYR HD 51 TYR HB+ 3.50 (# 1266:20 Unique 2.30, 3.06 A)
&rst
ixpk= 1266, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 773, 782,
igr2= 769, 770,
&end
#
# 51 TYR HD 51 TYR HB- 4.40 (# 1267:20 Unique 2.30, 3.06 A)
&rst
ixpk= 1267, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 773, 782,
igr2= 769, 770,
&end
#
# 51 TYR HA 51 TYR HB+ 4.40 (# 1268:20 Unique 2.59, 2.82 A)
&rst
ixpk= 1268, nxpk= 20, iat= 767, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 769, 770,
&end
#
# 0 AMB 20-2:1269 51 TYR HB- 4.40 (# 1269:20 Single Ambig)
&rst
ixpk= 1269, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 767, 723,
igr2= 769, 770,
&end
#
# 0 AMB 20-2:1270 51 TYR HB- 5.50 (# 1270:20 Single Ambig)
&rst
ixpk= 1270, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 834, 835, 836, 838, 839, 840, 834, 835, 836, 838,
839, 840,
igr2= 769, 770,
&end
#
# 0 AMB 20-2:1271 0 AMB 20-1:1271 5.50 (# 1271:20 Double Ambig)
&rst
ixpk= 1271, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 834, 835, 836, 838, 839, 840, 834, 835, 836, 838,
839, 840,
igr2= 769, 770, 769, 770,
&end
#
# 84 VAL MGX 93 ILE HA 4.40 (# 1272:20 Unique 3.05, 4.29 A)
&rst
ixpk= 1272, nxpk= 20, iat= -1,1519, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1370,1371,1372,1374,1375,1376,
&end
#
# 0 AMB 20-2:1273 0 AMB 20-1:1273 4.40 (# 1273:20 Double Ambig)
&rst
ixpk= 1273, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1=1496,1497,1498,1500,1501,1502,1919,1920,1921,
igr2=1519,1904,
&end
#
# 52 ARG HG- 52 ARG HA 3.00 (# 1274:20 Unique 2.26, 3.05 A)
&rst
ixpk= 1274, nxpk= 20, iat= -1, 788, r1= 0.00, r2= 1.80, r3= 3.37, r4= 4.12,
igr1= 793, 794,
&end
#
# 0 AMB 20-2:1275 0 AMB 20-1:1275 2.60 (# 1275:20 Double Ambig)
&rst
ixpk= 1275, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.82, r4= 4.57,
igr1= 790, 791, 793, 794,1521,
igr2= 788,1519,
&end
#
# 52 ARG HB- 52 ARG HA 3.50 (# 1276:20 Unique 2.23, 2.68 A)
&rst
ixpk= 1276, nxpk= 20, iat= -1, 788, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 790, 791,
&end
#
# 52 ARG HD+ 52 ARG HA 4.40 (# 1277:20 Unique 3.73, 4.71 A)
&rst
ixpk= 1277, nxpk= 20, iat= -1, 788, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 796, 797,
&end
#
# 119 PRO HD+ 117 SER HA 5.50 (# 1278:20 Unique 4.83, 5.42 A)
&rst
ixpk= 1278, nxpk= 20, iat= -1,1904, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1928,1929,
&end
#
# 0 AMB 20-2:1279 52 ARG HA 4.40 (# 1279:20 Single Ambig)
&rst
ixpk= 1279, nxpk= 20, iat= -1, 788, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 848, 849, 796, 797,
&end
#
# 0 AMB 20-2:1280 0 AMB 20-1:1280 5.50 (# 1280:20 Double Ambig)
&rst
ixpk= 1280, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1=1895,1896, 78, 79, 827,
igr2=1904,1519, 788,
&end
#
# 117 SER HB+ 117 SER HA 2.60 (# 1281:20 Unique 2.29, 2.72 A)
&rst
ixpk= 1281, nxpk= 20, iat= -1,1904, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1906,1907,
&end
#
# 0 AMB 20-2:1282 0 AMB 20-1:1282 5.50 (# 1282:20 Double Ambig)
&rst
ixpk= 1282, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1419, 852, 860,
igr2=1519, 788,
&end
#
# 0 AMB 20-2:1283 0 AMB 20-1:1283 3.50 (# 1283:20 Double Ambig)
&rst
ixpk= 1283, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1913, 765,
igr2=1904, 788,
&end
#
# 52 ARG HN 52 ARG HA 3.50 (# 1284:20 Unique 2.81, 2.83 A)
&rst
ixpk= 1284, nxpk= 20, iat= 786, 788, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1285 0 AMB 20-1:1285 5.50 (# 1285:20 Double Ambig)
&rst
ixpk= 1285, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1506, 104, 738,1380,
igr2=1519, 788,
&end
#
# 117 SER HN 117 SER HA 3.50 (# 1286:20 Unique 2.75, 2.76 A)
&rst
ixpk= 1286, nxpk= 20, iat=1902,1904, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 93 ILE HN 93 ILE HA 3.50 (# 1287:20 Unique 2.88, 2.90 A)
&rst
ixpk= 1287, nxpk= 20, iat=1517,1519, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1288 52 ARG HA 5.50 (# 1288:20 Single Ambig)
&rst
ixpk= 1288, nxpk= 20, iat= -1, 788, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 864, 879,
&end
#
# 52 ARG HE 52 ARG HA 5.50 (# 1289:20 Unique 4.58, 5.07 A)
&rst
ixpk= 1289, nxpk= 20, iat= 799, 788, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 ARG HN 52 ARG HB+ 4.40 (# 1291:20 Unique 2.07, 2.58 A)
&rst
ixpk= 1291, nxpk= 20, iat= 786, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 790, 791,
&end
#
# 52 ARG HA 52 ARG HB+ 3.50 (# 1292:20 Unique 2.23, 2.68 A)
&rst
ixpk= 1292, nxpk= 20, iat= 788, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 790, 791,
&end
#
# 0 AMB 20-2:1293 0 AMB 20-1:1293 2.60 (# 1293:20 Double Ambig)
&rst
ixpk= 1293, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.20, r4= 5.95,
igr1= 796, 797,2483,2484,1257,1258,1312,1313,
igr2= 790, 791,2480,2481,1254,1255,1309,1310,
&end
#
# 0 AMB 20-2:1294 0 AMB 20-1:1294 5.50 (# 1294:20 Double Ambig)
&rst
ixpk= 1294, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1292,1293, 725, 726,
igr2=1309,1310, 790, 791,
&end
#
# 2 ILE QG2 90 PRO HG- 3.50 (# 1295:20 Unique 5.26, 6.50 A)
&rst
ixpk= 1295, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 27, 28, 29,
igr2=1480,1481,
&end
#
# 0 AMB 20-2:1297 0 AMB 20-1:1297 3.50 (# 1297:20 Double Ambig)
&rst
ixpk= 1297, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=2483,2484, 796, 797,
igr2=2477,2478, 793, 794,
&end
#
# 149 LYS HA 149 LYS HG+ 3.50 (# 1298:20 Unique 2.09, 3.12 A)
&rst
ixpk= 1298, nxpk= 20, iat=2472, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2477,2478,
&end
#
# 150 GLU HN 149 LYS HG+ 5.50 (# 1299:20 Unique 3.45, 4.43 A)
&rst
ixpk= 1299, nxpk= 20, iat=2492, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2477,2478,
&end
#
# 0 AMB 20-2:1300 0 AMB 20-1:1300 4.40 (# 1300:20 Double Ambig)
&rst
ixpk= 1300, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1=2470,1490, 738,
igr2=2477,2478,1480,1481, 793, 794,
&end
#
# 0 AMB 20-2:1302 0 AMB 20-1:1302 5.50 (# 1302:20 Double Ambig)
&rst
ixpk= 1302, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 786,1266,
igr2= 796, 797,1257,1258,
&end
#
# 78 LYS HN 78 LYS HE+ 5.50 (# 1303:20 Unique 4.15, 4.79 A)
&rst
ixpk= 1303, nxpk= 20, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1257,1258,
&end
#
# 0 AMB 20-2:1304 0 AMB 20-1:1304 4.40 (# 1304:20 Double Ambig)
&rst
ixpk= 1304, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.84, r4= 8.59,
igr1=1412, 294, 295, 616,
igr2=1312,1313,2714,2715, 796, 797,1467,1468,
&end
#
# 0 AMB 20-2:1305 0 AMB 20-1:1305 5.50 (# 1305:20 Double Ambig)
&rst
ixpk= 1305, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 812,1538,1539,2703,
igr2= 796, 797,1257,1258,2714,2715,
&end
#
# 0 AMB 20-2:1306 0 AMB 20-1:1306 5.50 (# 1306:20 Double Ambig)
&rst
ixpk= 1306, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1323,1106,1519,
igr2=1312,1313,2483,2484,1257,1258,1312,1313,
&end
#
# 0 AMB 20-2:1307 0 AMB 20-1:1307 4.40 (# 1307:20 Double Ambig)
&rst
ixpk= 1307, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2415,1538,1539,
igr2=2483,2484,1257,1258,
&end
#
# 0 AMB 20-2:1308 0 AMB 20-1:1308 2.60 (# 1308:20 Double Ambig)
&rst
ixpk= 1308, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1= 790, 791,1309,1310,
igr2= 796, 797,1312,1313,
&end
#
# 0 AMB 20-2:1309 0 AMB 20-1:1309 2.60 (# 1309:20 Double Ambig)
&rst
ixpk= 1309, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1303,1304,1303,1304,
igr2=1312,1313,1312,1313,
&end
#
# 0 AMB 20-2:1311 0 AMB 20-1:1311 3.50 (# 1311:20 Double Ambig)
&rst
ixpk= 1311, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1527,1528,1530,1531,1532, 192, 193, 194,
igr2=1257,1258,1257,1258, 796, 797,
&end
#
# 53 GLU HN 53 GLU HA 3.50 (# 1312:20 Unique 2.82, 2.84 A)
&rst
ixpk= 1312, nxpk= 20, iat= 810, 812, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 54 LEU HN 53 GLU HA 4.40 (# 1313:20 Unique 3.48, 3.50 A)
&rst
ixpk= 1313, nxpk= 20, iat= 825, 812, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 0 AMB 20-2:1314 0 AMB 20-1:1314 2.60 (# 1314:20 Double Ambig)
&rst
ixpk= 1314, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=2584,2585, 817, 818,
igr2=2582, 812,
&end
#
# 0 AMB 20-2:1315 156 MET HA 2.60 (# 1315:20 Single Ambig)
&rst
ixpk= 1315, nxpk= 20, iat= -1,2582, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2651,2652,2634,2635,2634,2635,
&end
#
# 156 MET HG- 156 MET HA 3.50 (# 1316:20 Unique 3.10, 3.48 A)
&rst
ixpk= 1316, nxpk= 20, iat= -1,2582, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2587,2588,
&end
#
# 56 GLU HG+ 53 GLU HA 4.40 (# 1317:20 Unique 2.30, 3.46 A)
&rst
ixpk= 1317, nxpk= 20, iat= -1, 812, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 871, 872,
&end
#
# 156 MET HG+ 156 MET HA 3.50 (# 1318:20 Unique 3.10, 3.48 A)
&rst
ixpk= 1318, nxpk= 20, iat= -1,2582, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2587,2588,
&end
#
# 0 AMB 20-2:1319 0 AMB 20-1:1319 4.40 (# 1319:20 Double Ambig)
&rst
ixpk= 1319, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 793, 794,2568,
igr2= 812,2582,
&end
#
# 0 AMB 20-2:1320 0 AMB 20-1:1320 4.40 (# 1320:20 Double Ambig)
&rst
ixpk= 1320, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.76, r4= 8.51,
igr1=2570,2571,2572,2574,2575,2576, 834, 835, 836, 838,
839, 840, 185, 186, 187,
igr2=2582, 812,
&end
#
# 155 VAL MGX 156 MET HA 3.50 (# 1321:20 Unique 3.51, 5.56 A)
&rst
ixpk= 1321, nxpk= 20, iat= -1,2582, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2570,2571,2572,2574,2575,2576,
&end
#
# 164 LYS HB+ 164 LYS HA 3.50 (# 1323:20 Unique 2.31, 2.57 A)
&rst
ixpk= 1323, nxpk= 20, iat= -1,2703, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2705,2706,
&end
#
# 0 AMB 20-2:1324 80 PRO HG- 3.50 (# 1324:20 Single Ambig)
&rst
ixpk= 1324, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1354,1355,1356,1358,1359,1360,1354,1355,1356,1358,
1359,1360,
igr2=1289,1290,
&end
#
# 0 AMB 20-2:1325 0 AMB 20-1:1325 2.60 (# 1325:20 Double Ambig)
&rst
ixpk= 1325, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 817, 818,1934,1935, 868, 869,
igr2= 814, 815,1931,1932, 814, 815,
&end
#
# 80 PRO HB+ 80 PRO HG- 2.60 (# 1326:20 Unique 2.32, 2.58 A)
&rst
ixpk= 1326, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1292,1293,
igr2=1289,1290,
&end
#
# 119 PRO HD- 119 PRO HG+ 3.50 (# 1327:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1327, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1928,1929,
igr2=1931,1932,
&end
#
# 0 AMB 20-2:1328 0 AMB 20-1:1328 2.60 (# 1328:20 Double Ambig)
&rst
ixpk= 1328, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1331,1332,2399,2400,
igr2=1289,1290,2396,2397,
&end
#
# 79 LEU HA 80 PRO HG- 4.40 (# 1329:20 Unique 4.39, 4.43 A)
&rst
ixpk= 1329, nxpk= 20, iat=1268, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1289,1290,
&end
#
# 0 AMB 20-2:1330 80 PRO HG- 3.50 (# 1330:20 Single Ambig)
&rst
ixpk= 1330, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1295,1347,
igr2=1289,1290,
&end
#
# 114 GLN HA 119 PRO HG+ 4.40 (# 1331:20 Unique 2.95, 4.49 A)
&rst
ixpk= 1331, nxpk= 20, iat=1862, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1931,1932,
&end
#
# 0 AMB 20-2:1332 0 AMB 20-1:1332 4.40 (# 1332:20 Double Ambig)
&rst
ixpk= 1332, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 448, 452, 616,
igr2=1931,1932, 814, 815,
&end
#
# 83 LEU HN 80 PRO HG- 5.50 (# 1333:20 Unique 2.60, 3.96 A)
&rst
ixpk= 1333, nxpk= 20, iat=1345, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1289,1290,
&end
#
# 0 AMB 20-2:1334 0 AMB 20-1:1334 2.60 (# 1334:20 Double Ambig)
&rst
ixpk= 1334, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=1299,1543,
igr2=1303,1304,1547,1548,
&end
#
# 0 AMB 20-2:1335 0 AMB 20-1:1335 2.60 (# 1335:20 Double Ambig)
&rst
ixpk= 1335, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=2470,1941,
igr2=2474,2475,1934,1935,
&end
#
# 0 AMB 20-2:1336 0 AMB 20-1:1336 2.60 (# 1336:20 Double Ambig)
&rst
ixpk= 1336, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=2492,2597,
igr2=2474,2475,2584,2585,
&end
#
# 0 AMB 20-2:1337 0 AMB 20-1:1337 2.60 (# 1337:20 Double Ambig)
&rst
ixpk= 1337, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1= 604, 605,1937,2472,
igr2= 817, 818,1934,1935,2474,2475,
&end
#
# 53 GLU HA 53 GLU HG- 2.60 (# 1338:20 Unique 2.44, 3.21 A)
&rst
ixpk= 1338, nxpk= 20, iat= 812, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 817, 818,
&end
#
# 0 AMB 20-2:1339 0 AMB 20-1:1339 2.60 (# 1339:20 Double Ambig)
&rst
ixpk= 1339, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1301,1538,1539,
igr2=1303,1304,1547,1548,
&end
#
# 0 AMB 20-2:1340 0 AMB 20-1:1340 5.50 (# 1340:20 Double Ambig)
&rst
ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.76, r4=11.51,
igr1=1928,1929, 114, 115,2423,2424,2511,2512,
igr2=1934,1935,1547,1548,2474,2475, 202,
&end
#
# 0 AMB 20-2:1341 0 AMB 20-1:1341 5.50 (# 1341:20 Double Ambig)
&rst
ixpk= 1341, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1312,1313,2483,2484,
igr2=1303,1304,2474,2475,
&end
#
# 0 AMB 20-2:1344 0 AMB 20-1:1344 2.60 (# 1344:20 Double Ambig)
&rst
ixpk= 1344, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1=2480,2481,2477,2478, 814, 815,1931,1932, 793, 794,
igr2=2474,2475, 817, 818,1934,1935,
&end
#
# 0 AMB 20-2:1345 0 AMB 20-1:1345 2.60 (# 1345:20 Double Ambig)
&rst
ixpk= 1345, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
igr1=1306,1307,2477,2478, 793, 794,1368,
igr2=1303,1304,2474,2475, 817, 818,1303,1304,
&end
#
# 0 AMB 20-2:1346 54 LEU HA 2.60 (# 1346:20 Single Ambig)
&rst
ixpk= 1346, nxpk= 20, iat= -1, 827, r1= 0.00, r2= 1.80, r3= 3.40, r4= 4.15,
igr1= 189, 190, 192, 193, 194,
&end
#
# 0 AMB 20-2:1347 54 LEU HA 2.60 (# 1347:20 Single Ambig)
&rst
ixpk= 1347, nxpk= 20, iat= -1, 827, r1= 0.00, r2= 1.80, r3= 4.08, r4= 4.83,
igr1= 834, 835, 836, 838, 839, 840, 834, 835, 836, 838,
839, 840, 185, 186, 187,
&end
#
# 54 LEU HB- 54 LEU HA 3.50 (# 1348:20 Unique 2.29, 2.67 A)
&rst
ixpk= 1348, nxpk= 20, iat= -1, 827, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 829, 830,
&end
#
# 54 LEU HG 54 LEU HA 3.50 (# 1349:20 Unique 2.59, 2.84 A)
&rst
ixpk= 1349, nxpk= 20, iat= 832, 827, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1350 54 LEU HA 3.50 (# 1350:20 Single Ambig)
&rst
ixpk= 1350, nxpk= 20, iat= -1, 827, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 829, 830, 817, 818,
&end
#
# 57 GLU HG+ 54 LEU HA 4.40 (# 1351:20 Unique 1.97, 3.24 A)
&rst
ixpk= 1351, nxpk= 20, iat= -1, 827, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 886, 887,
&end
#
# 55 PHE HN 54 LEU HA 5.50 (# 1352:20 Unique 3.50, 3.52 A)
&rst
ixpk= 1352, nxpk= 20, iat= 844, 827, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 VAL HN 54 LEU HA 5.50 (# 1353:20 Unique 2.91, 3.30 A)
&rst
ixpk= 1353, nxpk= 20, iat= 894, 827, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 53 GLU HN 54 LEU HA 5.50 (# 1354:20 Unique 5.06, 5.13 A)
&rst
ixpk= 1354, nxpk= 20, iat= 810, 827, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 56 GLU HN 54 LEU HA 5.50 (# 1355:20 Unique 3.92, 4.11 A)
&rst
ixpk= 1355, nxpk= 20, iat= 864, 827, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 54 LEU HN 54 LEU HA 3.50 (# 1356:20 Unique 2.77, 2.78 A)
&rst
ixpk= 1356, nxpk= 20, iat= 825, 827, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1357 0 AMB 20-1:1357 2.60 (# 1357:20 Double Ambig)
&rst
ixpk= 1357, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 834, 835, 836, 838, 839, 840, 834, 835, 836, 838,
839, 840, 185, 186, 187,
igr2= 829, 830, 829, 830, 829, 830,
&end
#
# 0 AMB 20-2:1358 0 AMB 20-1:1358 3.50 (# 1358:20 Double Ambig)
&rst
ixpk= 1358, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 832, 755, 756,
igr2= 829, 830, 829, 830,
&end
#
# 54 LEU HA 54 LEU HB+ 4.40 (# 1360:20 Unique 2.29, 2.67 A)
&rst
ixpk= 1360, nxpk= 20, iat= 827, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 829, 830,
&end
#
# 51 TYR HA 54 LEU HB+ 5.50 (# 1361:20 Unique 2.26, 3.01 A)
&rst
ixpk= 1361, nxpk= 20, iat= 767, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 829, 830,
&end
#
# 55 PHE HN 54 LEU HB+ 5.50 (# 1362:20 Unique 2.64, 3.40 A)
&rst
ixpk= 1362, nxpk= 20, iat= 844, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 829, 830,
&end
#
# 54 LEU HN 54 LEU HB+ 4.40 (# 1363:20 Unique 2.20, 2.51 A)
&rst
ixpk= 1363, nxpk= 20, iat= 825, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 829, 830,
&end
#
# 54 LEU HN 54 LEU HB- 5.50 (# 1364:20 Unique 2.20, 2.51 A)
&rst
ixpk= 1364, nxpk= 20, iat= 825, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 829, 830,
&end
#
# 55 PHE HN 54 LEU HB- 5.50 (# 1365:20 Unique 2.64, 3.40 A)
&rst
ixpk= 1365, nxpk= 20, iat= 844, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 829, 830,
&end
#
# 83 LEU HA 83 LEU HB- 4.40 (# 1367:20 Unique 2.26, 2.70 A)
&rst
ixpk= 1367, nxpk= 20, iat=1347, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1349,1350,
&end
#
# 53 GLU HA 54 LEU HB- 5.50 (# 1368:20 Unique 5.53, 5.79 A)
&rst
ixpk= 1368, nxpk= 20, iat= 812, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 829, 830,
&end
#
# 54 LEU HA 54 LEU HB- 5.50 (# 1369:20 Unique 2.29, 2.67 A)
&rst
ixpk= 1369, nxpk= 20, iat= 827, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 829, 830,
&end
#
# 0 AMB 20-2:1371 13 ILE HB 4.40 (# 1371:20 Single Ambig)
&rst
ixpk= 1371, nxpk= 20, iat= -1, 183, r1= 0.00, r2= 1.80, r3= 5.75, r4= 6.50,
igr1= 189, 190, 350, 351, 352,
&end
#
# 0 AMB 20-2:1373 54 LEU HG 2.60 (# 1373:20 Single Ambig)
&rst
ixpk= 1373, nxpk= 20, iat= -1, 832, r1= 0.00, r2= 1.80, r3= 3.75, r4= 4.50,
igr1= 834, 835, 836, 838, 839, 840, 185, 186, 187,
&end
#
# 0 AMB 20-2:1375 0 AMB 20-1:1375 2.60 (# 1375:20 Double Ambig)
&rst
ixpk= 1375, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1303,1304, 817, 818, 829, 830,
igr2=1306,1307, 793, 794, 832,
&end
#
# 0 AMB 20-2:1376 0 AMB 20-1:1376 2.60 (# 1376:20 Double Ambig)
&rst
ixpk= 1376, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1= 790, 791,1248,1249,1254,1255,1309,1310,2480,2481,
igr2= 793, 794,1251,1252,1251,1252,1306,1307,2477,2478,
&end
#
# 0 AMB 20-2:1377 0 AMB 20-1:1377 2.60 (# 1377:20 Double Ambig)
&rst
ixpk= 1377, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.20, r4= 5.95,
igr1=2483,2484,1257,1258,1312,1313, 796, 797,
igr2=2477,2478,1251,1252,1306,1307, 793, 794,
&end
#
# 0 AMB 20-2:1378 0 AMB 20-1:1378 3.50 (# 1378:20 Double Ambig)
&rst
ixpk= 1378, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2472, 846,
igr2=2477,2478, 832,
&end
#
# 0 AMB 20-2:1379 0 AMB 20-1:1379 4.40 (# 1379:20 Double Ambig)
&rst
ixpk= 1379, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1301,1538,1539,
igr2=1306,1307,1251,1252,
&end
#
# 0 AMB 20-2:1381 0 AMB 20-1:1381 4.40 (# 1381:20 Double Ambig)
&rst
ixpk= 1381, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1419,2130,1364,
igr2=1306,1307,2477,2478,
&end
#
# 0 AMB 20-2:1382 149 LYS HG- 5.50 (# 1382:20 Single Ambig)
&rst
ixpk= 1382, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2128,2527,2413,
igr2=2477,2478,
&end
#
# 0 AMB 20-2:1383 0 AMB 20-1:1383 5.50 (# 1383:20 Double Ambig)
&rst
ixpk= 1383, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2470, 738,
igr2=2477,2478, 793, 794,
&end
#
# 81 LYS HN 81 LYS HG- 4.40 (# 1384:20 Unique 2.35, 3.35 A)
&rst
ixpk= 1384, nxpk= 20, iat=1299, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1306,1307,
&end
#
# 54 LEU HN 54 LEU MDX 4.40 (# 1385:20 Unique 3.98, 5.13 A)
&rst
ixpk= 1385, nxpk= 20, iat= 825, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2= 834, 835, 836, 838, 839, 840,
&end
#
# 7 TYR HE 93 ILE HG1- 4.40 (# 1386:20 Unique 2.22, 4.13 A)
&rst
ixpk= 1386, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 93, 98,
igr2=1527,1528,
&end
#
# 0 AMB 20-2:1388 0 AMB 20-1:1388 4.40 (# 1388:20 Double Ambig)
&rst
ixpk= 1388, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
igr1= 769, 770, 87, 88, 68, 69,
igr2= 834, 835, 836, 838, 839, 840,1527,1528,
&end
#
# 140 LYS HE- 140 LYS HG+ 5.50 (# 1389:20 Unique 1.95, 3.27 A)
&rst
ixpk= 1389, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2307,2308,
igr2=2301,2302,
&end
#
# 0 AMB 20-2:1390 54 LEU MDX 3.50 (# 1390:20 Single Ambig)
&rst
ixpk= 1390, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 829, 830,1009,
igr2= 834, 835, 836, 838, 839, 840,
&end
#
# 0 AMB 20-2:1391 54 LEU MDX 2.60 (# 1391:20 Single Ambig)
&rst
ixpk= 1391, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 832, 224, 225, 755, 756,
igr2= 834, 835, 836, 838, 839, 840,
&end
#
# 0 AMB 20-2:1392 54 LEU MDX 2.60 (# 1392:20 Single Ambig)
&rst
ixpk= 1392, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1= 924, 951, 952,
igr2= 834, 835, 836, 838, 839, 840,
&end
#
# 0 AMB 20-2:1393 54 LEU MDX 2.60 (# 1393:20 Single Ambig)
&rst
ixpk= 1393, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 189, 190, 350, 351, 352,
igr2= 834, 835, 836, 838, 839, 840,
&end
#
# 0 AMB 20-2:1395 54 LEU MDY 2.60 (# 1395:20 Single Ambig)
&rst
ixpk= 1395, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 924,1691,
igr2= 834, 835, 836, 838, 839, 840,
&end
#
# 0 AMB 20-2:1396 54 LEU MDY 2.60 (# 1396:20 Single Ambig)
&rst
ixpk= 1396, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 832, 224, 225, 755, 756,
igr2= 834, 835, 836, 838, 839, 840,
&end
#
# 0 AMB 20-2:1397 54 LEU MDY 3.50 (# 1397:20 Single Ambig)
&rst
ixpk= 1397, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 189, 190, 350, 351, 352,
igr2= 834, 835, 836, 838, 839, 840,
&end
#
# 54 LEU HB+ 54 LEU MDY 3.50 (# 1398:20 Unique 1.97, 3.21 A)
&rst
ixpk= 1398, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 829, 830,
igr2= 834, 835, 836, 838, 839, 840,
&end
#
# 0 AMB 20-2:1399 54 LEU MDY 3.50 (# 1399:20 Single Ambig)
&rst
ixpk= 1399, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 898, 886, 887,
igr2= 834, 835, 836, 838, 839, 840,
&end
#
# 54 LEU HA 54 LEU MDY 2.60 (# 1400:20 Unique 2.50, 4.31 A)
&rst
ixpk= 1400, nxpk= 20, iat= 827, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2= 834, 835, 836, 838, 839, 840,
&end
#
# 60 LEU HN 54 LEU MDY 4.40 (# 1402:20 Unique 2.22, 4.53 A)
&rst
ixpk= 1402, nxpk= 20, iat= 917, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2= 834, 835, 836, 838, 839, 840,
&end
#
# 55 PHE HN 54 LEU MDY 4.40 (# 1403:20 Unique 2.61, 5.03 A)
&rst
ixpk= 1403, nxpk= 20, iat= 844, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2= 834, 835, 836, 838, 839, 840,
&end
#
# 54 LEU HN 54 LEU MDY 3.70 (# 1404:20 Unique 3.98, 5.13 A)
&rst
ixpk= 1404, nxpk= 20, iat= 825, -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
igr2= 834, 835, 836, 838, 839, 840,
&end
#
# 0 AMB 20-2:1405 55 PHE HA 4.40 (# 1405:20 Single Ambig)
&rst
ixpk= 1405, nxpk= 20, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 864, 879,
&end
#
# 55 PHE HN 55 PHE HA 3.50 (# 1406:20 Unique 2.82, 2.85 A)
&rst
ixpk= 1406, nxpk= 20, iat= 844, 846, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 GLY HN 55 PHE HA 5.50 (# 1407:20 Unique 2.34, 2.63 A)
&rst
ixpk= 1407, nxpk= 20, iat= 910, 846, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1408 0 AMB 20-1:1408 3.50 (# 1408:20 Double Ambig)
&rst
ixpk= 1408, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 852, 860,1034,
igr2= 846,1741,
&end
#
# 60 LEU HN 55 PHE HA 3.50 (# 1409:20 Unique 1.92, 2.50 A)
&rst
ixpk= 1409, nxpk= 20, iat= 917, 846, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 55 PHE HB+ 55 PHE HA 3.50 (# 1410:20 Unique 2.39, 2.76 A)
&rst
ixpk= 1410, nxpk= 20, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 848, 849,
&end
#
# 55 PHE HB- 55 PHE HA 5.50 (# 1411:20 Unique 2.39, 2.76 A)
&rst
ixpk= 1411, nxpk= 20, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 848, 849,
&end
#
# 0 AMB 20-2:1412 55 PHE HA 3.50 (# 1412:20 Single Ambig)
&rst
ixpk= 1412, nxpk= 20, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 900, 901, 902, 904, 905, 906,1883,1884,1885,
&end
#
# 55 PHE HA 55 PHE HB+ 4.40 (# 1415:20 Unique 2.39, 2.76 A)
&rst
ixpk= 1415, nxpk= 20, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 848, 849,
&end
#
# 55 PHE HA 55 PHE HB- 4.40 (# 1416:20 Unique 2.39, 2.76 A)
&rst
ixpk= 1416, nxpk= 20, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 848, 849,
&end
#
# 129 TYR HD 129 TYR HB+ 3.50 (# 1417:20 Unique 2.30, 3.05 A)
&rst
ixpk= 1417, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2102,2111,
igr2=2098,2099,
&end
#
# 55 PHE HD 55 PHE HB+ 3.50 (# 1419:20 Unique 2.31, 3.03 A)
&rst
ixpk= 1419, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 852, 860,
igr2= 848, 849,
&end
#
# 55 PHE HD 55 PHE HB- 4.40 (# 1420:20 Unique 2.31, 3.03 A)
&rst
ixpk= 1420, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 852, 860,
igr2= 848, 849,
&end
#
# 55 PHE HN 55 PHE HB+ 3.50 (# 1421:20 Unique 2.32, 2.55 A)
&rst
ixpk= 1421, nxpk= 20, iat= 844, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 848, 849,
&end
#
# 55 PHE HN 55 PHE HB- 4.40 (# 1422:20 Unique 2.32, 2.55 A)
&rst
ixpk= 1422, nxpk= 20, iat= 844, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 848, 849,
&end
#
# 0 AMB 20-2:1423 0 AMB 20-1:1423 5.50 (# 1423:20 Double Ambig)
&rst
ixpk= 1423, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2139, 244,
igr2=2098,2099,2098,2099,
&end
#
# 56 GLU HN 55 PHE HB+ 5.50 (# 1424:20 Unique 2.63, 3.47 A)
&rst
ixpk= 1424, nxpk= 20, iat= 864, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 848, 849,
&end
#
# 56 GLU HN 55 PHE HB- 4.40 (# 1425:20 Unique 2.63, 3.47 A)
&rst
ixpk= 1425, nxpk= 20, iat= 864, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 848, 849,
&end
#
# 56 GLU HN 55 PHE HB- 5.50 (# 1426:20 Unique 2.63, 3.47 A)
&rst
ixpk= 1426, nxpk= 20, iat= 864, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 848, 849,
&end
#
# 29 GLY HN 28 PHE HA 3.50 (# 1428:20 Unique 2.14, 2.19 A)
&rst
ixpk= 1428, nxpk= 20, iat= 458, 440, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 115 THR MG2 56 GLU HA 5.50 (# 1429:20 Unique 2.35, 4.10 A)
&rst
ixpk= 1429, nxpk= 20, iat= -1, 866, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1883,1884,1885,
&end
#
# 0 AMB 20-2:1430 0 AMB 20-1:1430 3.50 (# 1430:20 Double Ambig)
&rst
ixpk= 1430, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=2180,2181,2182,2184,2185,2186,2180,2181,2182,2184,
2185,2186,
igr2=2393,2394,2393,2394,
&end
#
# 0 AMB 20-2:1431 0 AMB 20-1:1431 2.60 (# 1431:20 Double Ambig)
&rst
ixpk= 1431, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2651,2652, 886, 887,2634,2635,
igr2=2648,2649, 868, 869,2648,2649,
&end
#
# 0 AMB 20-2:1432 0 AMB 20-1:1432 2.60 (# 1432:20 Double Ambig)
&rst
ixpk= 1432, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=2651,2652, 886, 887,2634,2635,
igr2=2648,2649, 868, 869,
&end
#
# 56 GLU HG+ 56 GLU HB+ 2.60 (# 1433:20 Unique 2.22, 2.70 A)
&rst
ixpk= 1433, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 871, 872,
igr2= 868, 869,
&end
#
# 56 GLU HG+ 56 GLU HB- 3.50 (# 1434:20 Unique 2.22, 2.70 A)
&rst
ixpk= 1434, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 871, 872,
igr2= 868, 869,
&end
#
# 145 ARG HD+ 145 ARG HB+ 2.60 (# 1436:20 Unique 2.15, 2.94 A)
&rst
ixpk= 1436, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2399,2400,
igr2=2393,2394,
&end
#
# 56 GLU HA 56 GLU HB- 3.50 (# 1437:20 Unique 2.39, 2.73 A)
&rst
ixpk= 1437, nxpk= 20, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 868, 869,
&end
#
# 56 GLU HA 56 GLU HB+ 3.50 (# 1438:20 Unique 2.39, 2.73 A)
&rst
ixpk= 1438, nxpk= 20, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 868, 869,
&end
#
# 160 GLU HA 160 GLU HB+ 2.60 (# 1439:20 Unique 2.35, 2.74 A)
&rst
ixpk= 1439, nxpk= 20, iat=2646, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2648,2649,
&end
#
# 160 GLU HA 160 GLU HB- 2.60 (# 1440:20 Unique 2.35, 2.74 A)
&rst
ixpk= 1440, nxpk= 20, iat=2646, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2648,2649,
&end
#
# 160 GLU HN 160 GLU HB+ 2.60 (# 1441:20 Unique 2.30, 3.00 A)
&rst
ixpk= 1441, nxpk= 20, iat=2644, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2648,2649,
&end
#
# 160 GLU HN 160 GLU HB- 2.60 (# 1442:20 Unique 2.30, 3.00 A)
&rst
ixpk= 1442, nxpk= 20, iat=2644, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2648,2649,
&end
#
# 161 ASN HN 160 GLU HB+ 3.50 (# 1443:20 Unique 2.31, 3.25 A)
&rst
ixpk= 1443, nxpk= 20, iat=2659, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2648,2649,
&end
#
# 161 ASN HN 160 GLU HB- 3.50 (# 1444:20 Unique 2.31, 3.25 A)
&rst
ixpk= 1444, nxpk= 20, iat=2659, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2648,2649,
&end
#
# 0 AMB 20-2:1445 0 AMB 20-1:1445 3.50 (# 1445:20 Double Ambig)
&rst
ixpk= 1445, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 864, 879,
igr2= 868, 869, 868, 869,
&end
#
# 0 AMB 20-2:1446 56 GLU HB- 3.50 (# 1446:20 Single Ambig)
&rst
ixpk= 1446, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 864, 879,
igr2= 868, 869,
&end
#
# 145 ARG HN 145 ARG HB+ 2.60 (# 1447:20 Unique 2.15, 2.70 A)
&rst
ixpk= 1447, nxpk= 20, iat=2389, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2393,2394,
&end
#
# 56 GLU HN 56 GLU HG+ 3.50 (# 1449:20 Unique 2.33, 2.82 A)
&rst
ixpk= 1449, nxpk= 20, iat= 864, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 871, 872,
&end
#
# 56 GLU HN 56 GLU HG- 3.50 (# 1450:20 Unique 2.33, 2.82 A)
&rst
ixpk= 1450, nxpk= 20, iat= 864, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 871, 872,
&end
#
# 0 AMB 20-2:1451 0 AMB 20-1:1451 5.50 (# 1451:20 Double Ambig)
&rst
ixpk= 1451, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 854, 858, 894,
igr2= 871, 872, 871, 872,
&end
#
# 55 PHE HD 56 GLU HG+ 4.40 (# 1452:20 Unique 2.48, 5.35 A)
&rst
ixpk= 1452, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 852, 860,
igr2= 871, 872,
&end
#
# 55 PHE HD 56 GLU HG- 3.50 (# 1453:20 Unique 2.48, 5.35 A)
&rst
ixpk= 1453, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 852, 860,
igr2= 871, 872,
&end
#
# 0 AMB 20-2:1454 56 GLU HG- 5.50 (# 1454:20 Single Ambig)
&rst
ixpk= 1454, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 854, 858, 894,
igr2= 871, 872,
&end
#
# 0 AMB 20-2:1456 0 AMB 20-1:1456 5.50 (# 1456:20 Double Ambig)
&rst
ixpk= 1456, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 788,1845,
igr2= 871, 872, 871, 872,
&end
#
# 56 GLU HA 56 GLU HG+ 3.50 (# 1457:20 Unique 2.34, 3.01 A)
&rst
ixpk= 1457, nxpk= 20, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 871, 872,
&end
#
# 56 GLU HA 56 GLU HG- 2.60 (# 1458:20 Unique 2.34, 3.01 A)
&rst
ixpk= 1458, nxpk= 20, iat= 866, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 871, 872,
&end
#
# 0 AMB 20-2:1459 0 AMB 20-1:1459 5.50 (# 1459:20 Double Ambig)
&rst
ixpk= 1459, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 848, 849, 796, 797,
igr2= 871, 872, 871, 872,
&end
#
# 55 PHE HB+ 56 GLU HG- 5.50 (# 1460:20 Unique 3.02, 4.48 A)
&rst
ixpk= 1460, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 848, 849,
igr2= 871, 872,
&end
#
# 56 GLU HB+ 56 GLU HG+ 2.60 (# 1461:20 Unique 2.22, 2.70 A)
&rst
ixpk= 1461, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 868, 869,
igr2= 871, 872,
&end
#
# 56 GLU HB- 56 GLU HG+ 2.60 (# 1462:20 Unique 2.22, 2.70 A)
&rst
ixpk= 1462, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 868, 869,
igr2= 871, 872,
&end
#
# 56 GLU HB+ 56 GLU HG- 2.60 (# 1463:20 Unique 2.22, 2.70 A)
&rst
ixpk= 1463, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 868, 869,
igr2= 871, 872,
&end
#
# 56 GLU HB- 56 GLU HG- 2.60 (# 1464:20 Unique 2.22, 2.70 A)
&rst
ixpk= 1464, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 868, 869,
igr2= 871, 872,
&end
#
# 52 ARG HG- 56 GLU HG+ 4.40 (# 1465:20 Unique 2.89, 4.77 A)
&rst
ixpk= 1465, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 793, 794,
igr2= 871, 872,
&end
#
# 58 VAL HN 57 GLU HA 4.40 (# 1468:20 Unique 3.54, 3.55 A)
&rst
ixpk= 1468, nxpk= 20, iat= 894, 881, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 57 GLU HG- 57 GLU HB+ 5.50 (# 1475:20 Unique 2.21, 2.64 A)
&rst
ixpk= 1475, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 886, 887,
igr2= 883, 884,
&end
#
# 0 AMB 20-2:1476 0 AMB 20-1:1476 4.40 (# 1476:20 Double Ambig)
&rst
ixpk= 1476, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=2644, 585,
igr2=2634,2635, 886, 887,
&end
#
# 0 AMB 20-2:1477 0 AMB 20-1:1477 5.50 (# 1477:20 Double Ambig)
&rst
ixpk= 1477, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.00, r4=11.75,
igr1= 446, 454, 852, 860, 559, 567, 773, 782,
igr2= 886, 887, 886, 887, 886, 887, 886, 887,
&end
#
# 0 AMB 20-2:1479 0 AMB 20-1:1479 2.60 (# 1479:20 Double Ambig)
&rst
ixpk= 1479, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=2582,2646,2629,
igr2=2634,2635,2634,2635,2634,2635,2634,2635,
&end
#
# 58 VAL MGX 57 GLU HG+ 4.40 (# 1481:20 Unique 1.88, 6.06 A)
&rst
ixpk= 1481, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 900, 901, 902, 904, 905, 906,
igr2= 886, 887,
&end
#
# 0 AMB 20-2:1482 0 AMB 20-1:1482 5.50 (# 1482:20 Double Ambig)
&rst
ixpk= 1482, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 301, 302, 301, 302,
igr2=2634,2635,2634,2635,
&end
#
# 111 ILE QG2 58 VAL HA 4.40 (# 1483:20 Unique 2.39, 3.77 A)
&rst
ixpk= 1483, nxpk= 20, iat= -1, 896, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr1=1816,1817,1818,
&end
#
# 0 AMB 20-2:1484 58 VAL HA 2.60 (# 1484:20 Single Ambig)
&rst
ixpk= 1484, nxpk= 20, iat= -1, 896, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 900, 901, 902, 904, 905, 906, 900, 901, 902, 904,
905, 906,
&end
#
# 113 MET ME 58 VAL HA 3.50 (# 1485:20 Unique 2.05, 3.38 A)
&rst
ixpk= 1485, nxpk= 20, iat= -1, 896, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1854,1855,1856,
&end
#
# 0 AMB 20-2:1486 58 VAL HA 3.50 (# 1486:20 Single Ambig)
&rst
ixpk= 1486, nxpk= 20, iat= -1, 896, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 898, 886, 887,
&end
#
# 113 MET HG- 58 VAL HA 4.40 (# 1487:20 Unique 2.56, 3.96 A)
&rst
ixpk= 1487, nxpk= 20, iat= -1, 896, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1850,1851,
&end
#
# 58 VAL HN 58 VAL HA 3.50 (# 1488:20 Unique 2.92, 2.94 A)
&rst
ixpk= 1488, nxpk= 20, iat= 894, 896, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 GLY HN 58 VAL HA 4.40 (# 1489:20 Unique 3.02, 3.34 A)
&rst
ixpk= 1489, nxpk= 20, iat= 910, 896, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 160 GLU HN 157 SER HA 3.50 (# 1490:20 Unique 3.71, 3.87 A)
&rst
ixpk= 1490, nxpk= 20, iat=2644,2599, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1492 0 AMB 20-1:1492 4.40 (# 1492:20 Double Ambig)
&rst
ixpk= 1492, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.25, r4= 8.00,
igr1= 467, 604, 605, 846,
igr2= 472, 473, 592, 593, 898,
&end
#
# 0 AMB 20-2:1494 58 VAL MGX 4.40 (# 1494:20 Single Ambig)
&rst
ixpk= 1494, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.76, r4= 8.51,
igr1= 886, 887, 898, 883, 884,
igr2= 900, 901, 902, 904, 905, 906,
&end
#
# 54 LEU HA 58 VAL MGX 3.50 (# 1495:20 Unique 2.28, 5.41 A)
&rst
ixpk= 1495, nxpk= 20, iat= 827, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 900, 901, 902, 904, 905, 906,
&end
#
# 0 AMB 20-2:1496 0 AMB 20-1:1496 2.60 (# 1496:20 Double Ambig)
&rst
ixpk= 1496, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=2566,1812,
igr2=2570,2571,2572,2574,2575,2576, 900, 901, 902, 904,
905, 906,
&end
#
# 20 GLY HA- 155 VAL MGX 2.60 (# 1497:20 Unique 2.00, 4.17 A)
&rst
ixpk= 1497, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 301, 302,
igr2=2570,2571,2572,2574,2575,2576,
&end
#
# 20 GLY HA+ 155 VAL MGX 3.50 (# 1498:20 Unique 2.00, 4.17 A)
&rst
ixpk= 1498, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 301, 302,
igr2=2570,2571,2572,2574,2575,2576,
&end
#
# 0 AMB 20-2:1499 155 VAL MGX 3.50 (# 1499:20 Single Ambig)
&rst
ixpk= 1499, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2582,2610,
igr2=2570,2571,2572,2574,2575,2576,
&end
#
# 58 VAL HA 58 VAL MGX 2.60 (# 1500:20 Unique 1.95, 3.22 A)
&rst
ixpk= 1500, nxpk= 20, iat= 896, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2= 900, 901, 902, 904, 905, 906,
&end
#
# 0 AMB 20-2:1501 0 AMB 20-1:1501 3.50 (# 1501:20 Double Ambig)
&rst
ixpk= 1501, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 917,2639,2640,
igr2= 900, 901, 902, 904, 905, 906,2570,2571,2572,2574,
2575,2576,
&end
#
# 0 AMB 20-2:1502 58 VAL MGX 5.50 (# 1502:20 Single Ambig)
&rst
ixpk= 1502, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 852, 860, 773, 782,
igr2= 900, 901, 902, 904, 905, 906,
&end
#
# 0 AMB 20-2:1503 0 AMB 20-1:1503 4.40 (# 1503:20 Double Ambig)
&rst
ixpk= 1503, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.71, r4= 9.46,
igr1=1715,1716,2058, 559, 567,
igr2=2570,2571,2572,2574,2575,2576, 900, 901, 902, 904,
905, 906,
&end
#
# 58 VAL HN 58 VAL MGX 2.60 (# 1504:20 Unique 1.94, 3.91 A)
&rst
ixpk= 1504, nxpk= 20, iat= 894, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2= 900, 901, 902, 904, 905, 906,
&end
#
# 0 AMB 20-2:1505 0 AMB 20-1:1505 3.50 (# 1505:20 Double Ambig)
&rst
ixpk= 1505, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2564, 910,
igr2=2570,2571,2572,2574,2575,2576, 900, 901, 902, 904,
905, 906,
&end
#
# 0 AMB 20-2:1506 0 AMB 20-1:1506 2.60 (# 1506:20 Double Ambig)
&rst
ixpk= 1506, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=2564, 910,
igr2=2570,2571,2572,2574,2575,2576, 900, 901, 902, 904,
905, 906,
&end
#
# 156 MET HN 155 VAL MGX 3.50 (# 1507:20 Unique 2.02, 4.37 A)
&rst
ixpk= 1507, nxpk= 20, iat=2580, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2570,2571,2572,2574,2575,2576,
&end
#
# 0 AMB 20-2:1508 58 VAL MGX 3.50 (# 1508:20 Single Ambig)
&rst
ixpk= 1508, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 879, 864,
igr2= 900, 901, 902, 904, 905, 906,
&end
#
# 58 VAL HN 58 VAL MGY 3.50 (# 1509:20 Unique 1.94, 3.91 A)
&rst
ixpk= 1509, nxpk= 20, iat= 894, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 900, 901, 902, 904, 905, 906,
&end
#
# 60 LEU HN 58 VAL MGY 4.40 (# 1511:20 Unique 1.86, 4.45 A)
&rst
ixpk= 1511, nxpk= 20, iat= 917, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2= 900, 901, 902, 904, 905, 906,
&end
#
# 58 VAL HA 58 VAL MGY 2.60 (# 1513:20 Unique 1.95, 3.22 A)
&rst
ixpk= 1513, nxpk= 20, iat= 896, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2= 900, 901, 902, 904, 905, 906,
&end
#
# 0 AMB 20-2:1514 0 AMB 20-1:1514 2.60 (# 1514:20 Double Ambig)
&rst
ixpk= 1514, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1519,1775,1845,
igr2=1370,1371,1372,1374,1375,1376, 900, 901, 902, 904,
905, 906,
&end
#
# 0 AMB 20-2:1515 0 AMB 20-1:1515 4.40 (# 1515:20 Double Ambig)
&rst
ixpk= 1515, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.71, r4= 9.46,
igr1=1268,1797, 812, 78, 79,
igr2=1370,1371,1372,1374,1375,1376, 900, 901, 902, 904,
905, 906,
&end
#
# 81 LYS HA 84 VAL MGY 2.60 (# 1516:20 Unique 1.92, 3.95 A)
&rst
ixpk= 1516, nxpk= 20, iat=1301, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 0 AMB 20-2:1517 0 AMB 20-1:1517 2.60 (# 1517:20 Double Ambig)
&rst
ixpk= 1517, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=1812,1366,
igr2= 900, 901, 902, 904, 905, 906,1370,1371,1372,1374,
1375,1376,
&end
#
# 124 TRP HB- 58 VAL MGY 5.50 (# 1518:20 Unique 4.54, 7.71 A)
&rst
ixpk= 1518, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1999,2000,
igr2= 900, 901, 902, 904, 905, 906,
&end
#
# 113 MET HG+ 58 VAL MGY 4.40 (# 1519:20 Unique 2.95, 6.32 A)
&rst
ixpk= 1519, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1850,1851,
igr2= 900, 901, 902, 904, 905, 906,
&end
#
# 0 AMB 20-2:1520 58 VAL MGY 4.40 (# 1520:20 Single Ambig)
&rst
ixpk= 1520, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.76, r4= 8.51,
igr1= 886, 887, 898, 883, 884,
igr2= 900, 901, 902, 904, 905, 906,
&end
#
# 0 AMB 20-2:1521 58 VAL MGY 2.60 (# 1521:20 Single Ambig)
&rst
ixpk= 1521, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 350, 351, 352, 189, 190,
igr2= 900, 901, 902, 904, 905, 906,
&end
#
# 113 MET ME 58 VAL MGY 3.50 (# 1522:20 Unique 2.00, 5.08 A)
&rst
ixpk= 1522, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1854,1855,1856,
igr2= 900, 901, 902, 904, 905, 906,
&end
#
# 0 AMB 20-2:1523 58 VAL MGY 2.60 (# 1523:20 Single Ambig)
&rst
ixpk= 1523, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.96, r4= 5.71,
igr1= 926, 927, 928, 930, 931, 932, 189, 190,
igr2= 900, 901, 902, 904, 905, 906,
&end
#
# 0 AMB 20-2:1524 58 VAL MGY 2.60 (# 1524:20 Single Ambig)
&rst
ixpk= 1524, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1820,1821, 384, 385, 386,
igr2= 900, 901, 902, 904, 905, 906,
&end
#
# 111 ILE QG2 58 VAL MGY 2.60 (# 1525:20 Unique 1.99, 5.01 A)
&rst
ixpk= 1525, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=1816,1817,1818,
igr2= 900, 901, 902, 904, 905, 906,
&end
#
# 84 VAL MGX 79 LEU MDY 4.40 (# 1526:20 Unique 1.98, 4.89 A)
&rst
ixpk= 1526, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1=1370,1371,1372,1374,1375,1376,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 111 ILE QD1 58 VAL MGY 4.40 (# 1527:20 Unique 2.05, 5.77 A)
&rst
ixpk= 1527, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1=1823,1824,1825,
igr2= 900, 901, 902, 904, 905, 906,
&end
#
# 0 AMB 20-2:1528 0 AMB 20-1:1528 4.40 (# 1528:20 Double Ambig)
&rst
ixpk= 1528, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1= 900, 901, 902, 904, 905, 906,1883,1884,1885,
igr2= 912, 913, 912, 913,
&end
#
# 0 AMB 20-2:1529 59 GLY HA- 3.50 (# 1529:20 Single Ambig)
&rst
ixpk= 1529, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 900, 901, 902, 904, 905, 906,1883,1884,1885,
igr2= 912, 913,
&end
#
# 112 ASN HB+ 59 GLY HA+ 4.40 (# 1530:20 Unique 1.98, 3.28 A)
&rst
ixpk= 1530, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1833,1834,
igr2= 912, 913,
&end
#
# 112 ASN HB+ 59 GLY HA- 5.50 (# 1531:20 Unique 1.98, 3.28 A)
&rst
ixpk= 1531, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1833,1834,
igr2= 912, 913,
&end
#
# 0 AMB 20-2:1532 0 AMB 20-1:1532 3.50 (# 1532:20 Double Ambig)
&rst
ixpk= 1532, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 910,1838,1839,
igr2= 912, 913, 912, 913,
&end
#
# 59 GLY HN 59 GLY HA- 3.50 (# 1533:20 Unique 2.29, 2.55 A)
&rst
ixpk= 1533, nxpk= 20, iat= 910, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 912, 913,
&end
#
# 112 ASN HN 59 GLY HA+ 5.50 (# 1534:20 Unique 1.90, 3.24 A)
&rst
ixpk= 1534, nxpk= 20, iat=1829, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 912, 913,
&end
#
# 112 ASN HN 59 GLY HA- 4.40 (# 1535:20 Unique 1.90, 3.24 A)
&rst
ixpk= 1535, nxpk= 20, iat=1829, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 912, 913,
&end
#
# 61 SER HN 60 LEU HA 3.50 (# 1536:20 Unique 2.26, 2.31 A)
&rst
ixpk= 1536, nxpk= 20, iat= 936, 919, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1539 3 ASP HA 4.40 (# 1539:20 Single Ambig)
&rst
ixpk= 1539, nxpk= 20, iat= -1, 42, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 23, 665, 666, 6,
&end
#
# 0 AMB 20-2:1540 0 AMB 20-1:1540 5.50 (# 1540:20 Double Ambig)
&rst
ixpk= 1540, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 912, 913, 129, 130,
igr2= 919, 42,
&end
#
# 0 AMB 20-2:1541 0 AMB 20-1:1541 4.40 (# 1541:20 Double Ambig)
&rst
ixpk= 1541, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 56, 57,1833,1834,
igr2= 42, 919,
&end
#
# 60 LEU HG 60 LEU HA 5.50 (# 1542:20 Unique 2.12, 3.43 A)
&rst
ixpk= 1542, nxpk= 20, iat= 924, 919, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 LEU HB+ 60 LEU HA 5.50 (# 1543:20 Unique 2.63, 2.83 A)
&rst
ixpk= 1543, nxpk= 20, iat= -1, 919, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 921, 922,
&end
#
# 0 AMB 20-2:1546 0 AMB 20-1:1546 3.50 (# 1546:20 Double Ambig)
&rst
ixpk= 1546, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
igr2= 921, 922, 921, 922,
&end
#
# 0 AMB 20-2:1547 60 LEU HB- 3.50 (# 1547:20 Single Ambig)
&rst
ixpk= 1547, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
igr2= 921, 922,
&end
#
# 60 LEU HA 60 LEU HB- 5.50 (# 1548:20 Unique 2.63, 2.83 A)
&rst
ixpk= 1548, nxpk= 20, iat= 919, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 921, 922,
&end
#
# 78 LYS HN 78 LYS HG- 4.40 (# 1550:20 Unique 2.08, 3.45 A)
&rst
ixpk= 1550, nxpk= 20, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1251,1252,
&end
#
# 79 LEU HN 78 LYS HG- 4.40 (# 1551:20 Unique 4.40, 4.76 A)
&rst
ixpk= 1551, nxpk= 20, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1251,1252,
&end
#
# 0 AMB 20-2:1552 78 LYS HG- 5.50 (# 1552:20 Single Ambig)
&rst
ixpk= 1552, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 93, 98,1231,1240,
igr2=1251,1252,
&end
#
# 0 AMB 20-2:1553 0 AMB 20-1:1553 3.50 (# 1553:20 Double Ambig)
&rst
ixpk= 1553, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 919,1246,
igr2= 924,1251,1252,
&end
#
# 78 LYS HE+ 78 LYS HG- 3.50 (# 1554:20 Unique 2.06, 3.21 A)
&rst
ixpk= 1554, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1257,1258,
igr2=1251,1252,
&end
#
# 78 LYS HB+ 78 LYS HG- 3.50 (# 1555:20 Unique 2.21, 2.65 A)
&rst
ixpk= 1555, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1248,1249,
igr2=1251,1252,
&end
#
# 0 AMB 20-2:1557 78 LYS HG- 2.60 (# 1557:20 Single Ambig)
&rst
ixpk= 1557, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=1248,1249,1254,1255,
igr2=1251,1252,
&end
#
# 0 AMB 20-2:1559 60 LEU HG 2.60 (# 1559:20 Single Ambig)
&rst
ixpk= 1559, nxpk= 20, iat= -1, 924, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
&end
#
# 0 AMB 20-2:1560 60 LEU MDX 2.60 (# 1560:20 Single Ambig)
&rst
ixpk= 1560, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 921, 922, 350, 351, 352,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 60 LEU HG 60 LEU MDX 2.60 (# 1561:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1561, nxpk= 20, iat= 924, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 104 LEU MDX 60 LEU MDX 2.60 (# 1562:20 Unique 1.98, 4.76 A)
&rst
ixpk= 1562, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1729,1730,1731,1733,1734,1735,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 111 ILE QD1 60 LEU MDX 5.50 (# 1563:20 Unique 3.71, 6.34 A)
&rst
ixpk= 1563, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1823,1824,1825,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 111 ILE QG2 60 LEU MDX 5.50 (# 1564:20 Unique 3.07, 6.47 A)
&rst
ixpk= 1564, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1816,1817,1818,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 64 ASP HB+ 60 LEU MDX 4.40 (# 1565:20 Unique 1.99, 4.28 A)
&rst
ixpk= 1565, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 997, 998,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 58 VAL HB 60 LEU MDX 5.50 (# 1566:20 Unique 1.98, 5.34 A)
&rst
ixpk= 1566, nxpk= 20, iat= 898, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 111 ILE HA 60 LEU MDX 5.50 (# 1567:20 Unique 1.98, 3.93 A)
&rst
ixpk= 1567, nxpk= 20, iat=1812, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 93 ILE HA 93 ILE HG1+ 4.40 (# 1568:20 Unique 3.55, 3.88 A)
&rst
ixpk= 1568, nxpk= 20, iat=1519, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1527,1528,
&end
#
# 7 TYR HE 93 ILE HG1+ 5.50 (# 1569:20 Unique 2.22, 4.13 A)
&rst
ixpk= 1569, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 93, 98,
igr2=1527,1528,
&end
#
# 60 LEU HN 60 LEU MDX 3.50 (# 1570:20 Unique 2.54, 4.65 A)
&rst
ixpk= 1570, nxpk= 20, iat= 917, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 0 AMB 20-2:1571 0 AMB 20-1:1571 5.50 (# 1571:20 Double Ambig)
&rst
ixpk= 1571, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1536,1795,
igr2=1527,1528, 926, 927, 928, 930, 931, 932,
&end
#
# 0 AMB 20-2:1572 0 AMB 20-1:1572 5.50 (# 1572:20 Double Ambig)
&rst
ixpk= 1572, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 76, 947,
igr2=1527,1528, 926, 927, 928, 930, 931, 932,
&end
#
# 61 SER HN 60 LEU MDY 3.50 (# 1573:20 Unique 1.94, 4.01 A)
&rst
ixpk= 1573, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 102 LEU HN 101 LEU MDX 3.50 (# 1574:20 Unique 1.94, 4.25 A)
&rst
ixpk= 1574, nxpk= 20, iat=1684, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 0 AMB 20-2:1575 101 LEU MDX 5.50 (# 1575:20 Single Ambig)
&rst
ixpk= 1575, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 198, 323,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 0 AMB 20-2:1576 0 AMB 20-1:1576 4.40 (# 1576:20 Double Ambig)
&rst
ixpk= 1576, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1=1766,1665,
igr2= 926, 927, 928, 930, 931, 932,1674,1675,1676,1678,
1679,1680,
&end
#
# 112 ASN HN 60 LEU MDY 5.50 (# 1577:20 Unique 2.81, 5.31 A)
&rst
ixpk= 1577, nxpk= 20, iat=1829, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 69 ALA HN 101 LEU MDX 4.40 (# 1578:20 Unique 2.36, 4.90 A)
&rst
ixpk= 1578, nxpk= 20, iat=1083, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 0 AMB 20-2:1579 0 AMB 20-1:1579 5.50 (# 1579:20 Double Ambig)
&rst
ixpk= 1579, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1795,2507,
igr2= 926, 927, 928, 930, 931, 932,1674,1675,1676,1678,
1679,1680,
&end
#
# 0 AMB 20-2:1580 0 AMB 20-1:1580 5.50 (# 1580:20 Double Ambig)
&rst
ixpk= 1580, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=2564,1005,
igr2=1674,1675,1676,1678,1679,1680, 926, 927, 928, 930,
931, 932,
&end
#
# 111 ILE HN 60 LEU MDY 5.50 (# 1581:20 Unique 2.58, 4.38 A)
&rst
ixpk= 1581, nxpk= 20, iat=1810, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 151 PHE HD 101 LEU MDX 3.50 (# 1582:20 Unique 2.46, 5.47 A)
&rst
ixpk= 1582, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2515,2523,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 60 LEU HN 60 LEU MDY 3.50 (# 1583:20 Unique 2.54, 4.65 A)
&rst
ixpk= 1583, nxpk= 20, iat= 917, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 101 LEU HA 101 LEU MDX 2.60 (# 1584:20 Unique 1.96, 3.75 A)
&rst
ixpk= 1584, nxpk= 20, iat=1667, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 110 GLU HA 60 LEU MDY 4.40 (# 1586:20 Unique 3.93, 5.35 A)
&rst
ixpk= 1586, nxpk= 20, iat=1797, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 111 ILE HA 60 LEU MDY 3.50 (# 1587:20 Unique 1.98, 3.93 A)
&rst
ixpk= 1587, nxpk= 20, iat=1812, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 64 ASP HB+ 60 LEU MDY 3.50 (# 1588:20 Unique 1.99, 4.28 A)
&rst
ixpk= 1588, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 997, 998,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 0 AMB 20-2:1589 0 AMB 20-1:1589 2.60 (# 1589:20 Double Ambig)
&rst
ixpk= 1589, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2552,1009, 202,
igr2=1674,1675,1676,1678,1679,1680, 926, 927, 928, 930,
931, 932,
&end
#
# 110 GLU HB+ 60 LEU MDY 3.50 (# 1590:20 Unique 2.00, 3.36 A)
&rst
ixpk= 1590, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1799,1800,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 110 GLU HB- 60 LEU MDY 3.50 (# 1591:20 Unique 2.00, 3.36 A)
&rst
ixpk= 1591, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1799,1800,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 60 LEU HG 60 LEU MDY 2.60 (# 1592:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1592, nxpk= 20, iat= 924, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 0 AMB 20-2:1593 0 AMB 20-1:1593 2.60 (# 1593:20 Double Ambig)
&rst
ixpk= 1593, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 921, 922,1087,1088,1089,
igr2= 926, 927, 928, 930, 931, 932,1674,1675,1676,1678,
1679,1680,
&end
#
# 0 AMB 20-2:1594 0 AMB 20-1:1594 2.60 (# 1594:20 Double Ambig)
&rst
ixpk= 1594, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.48, r4= 7.23,
igr1=1729,1730,1731,1733,1734,1735,1669,1670,2554,2555,
2556,2558,2559,2560,1073,1074,1075,1077,1078,1079,
igr2= 926, 927, 928, 930, 931, 932,1674,1675,1676,1678,
1679,1680,
&end
#
# 111 ILE QG2 60 LEU MDY 4.40 (# 1595:20 Unique 3.07, 6.47 A)
&rst
ixpk= 1595, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1=1816,1817,1818,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 111 ILE QD1 60 LEU MDY 4.40 (# 1596:20 Unique 3.71, 6.34 A)
&rst
ixpk= 1596, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1=1823,1824,1825,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 101 LEU HB- 101 LEU MDX 3.50 (# 1597:20 Unique 1.98, 3.36 A)
&rst
ixpk= 1597, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1669,1670,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 0 AMB 20-2:1598 0 AMB 20-1:1598 3.50 (# 1598:20 Double Ambig)
&rst
ixpk= 1598, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 978, 979, 978, 979,
igr2= 940, 941, 940, 941,
&end
#
# 0 AMB 20-2:1599 61 SER HB- 3.50 (# 1599:20 Single Ambig)
&rst
ixpk= 1599, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 978, 979, 978, 979,
igr2= 940, 941,
&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= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 921, 922, 924, 951, 952,
igr2= 940, 941, 940, 941, 940, 941,
&end
#
# 0 AMB 20-2:1601 61 SER HB- 4.40 (# 1601:20 Single Ambig)
&rst
ixpk= 1601, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.46, r4= 7.21,
igr1= 921, 922, 924, 951, 952,
igr2= 940, 941,
&end
#
# 51 TYR HB+ 61 SER HB- 5.50 (# 1602:20 Unique 7.72, 9.53 A)
&rst
ixpk= 1602, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 769, 770,
igr2= 940, 941,
&end
#
# 0 AMB 20-2:1603 0 AMB 20-1:1603 5.50 (# 1603:20 Double Ambig)
&rst
ixpk= 1603, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 984, 985, 769, 770,
igr2= 940, 941, 940, 941,
&end
#
# 61 SER HA 61 SER HB+ 2.60 (# 1604:20 Unique 2.25, 2.66 A)
&rst
ixpk= 1604, nxpk= 20, iat= 938, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 940, 941,
&end
#
# 55 PHE HD 61 SER HB+ 4.40 (# 1608:20 Unique 4.12, 7.53 A)
&rst
ixpk= 1608, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 852, 860,
igr2= 940, 941,
&end
#
# 63 LYS HN 61 SER HB+ 3.50 (# 1609:20 Unique 2.51, 3.38 A)
&rst
ixpk= 1609, nxpk= 20, iat= 971, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 940, 941,
&end
#
# 63 LYS HN 61 SER HB- 3.50 (# 1610:20 Unique 2.51, 3.38 A)
&rst
ixpk= 1610, nxpk= 20, iat= 971, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 940, 941,
&end
#
# 62 ARG HN 61 SER HB+ 2.60 (# 1611:20 Unique 2.29, 3.23 A)
&rst
ixpk= 1611, nxpk= 20, iat= 947, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 940, 941,
&end
#
# 62 ARG HN 61 SER HB- 2.60 (# 1612:20 Unique 2.29, 3.23 A)
&rst
ixpk= 1612, nxpk= 20, iat= 947, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 940, 941,
&end
#
# 61 SER HN 61 SER HB+ 3.50 (# 1613:20 Unique 2.13, 3.09 A)
&rst
ixpk= 1613, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 940, 941,
&end
#
# 61 SER HN 61 SER HB- 3.50 (# 1614:20 Unique 2.13, 3.09 A)
&rst
ixpk= 1614, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 940, 941,
&end
#
# 62 ARG HN 62 ARG HA 3.50 (# 1615:20 Unique 2.78, 2.82 A)
&rst
ixpk= 1615, nxpk= 20, iat= 947, 949, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 63 LYS HN 62 ARG HA 5.50 (# 1616:20 Unique 3.48, 3.52 A)
&rst
ixpk= 1616, nxpk= 20, iat= 971, 949, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 VAL HN 62 ARG HA 4.40 (# 1617:20 Unique 3.71, 4.02 A)
&rst
ixpk= 1617, nxpk= 20, iat=1005, 949, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 51 TYR HE 62 ARG HA 2.60 (# 1619:20 Unique 2.60, 4.71 A)
&rst
ixpk= 1619, nxpk= 20, iat= -1, 949, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 775, 780,
&end
#
# 0 AMB 20-2:1621 62 ARG HA 3.50 (# 1621:20 Single Ambig)
&rst
ixpk= 1621, nxpk= 20, iat= -1, 949, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 769, 770, 957, 958,
&end
#
# 62 ARG HB+ 62 ARG HA 2.60 (# 1622:20 Unique 2.34, 2.45 A)
&rst
ixpk= 1622, nxpk= 20, iat= -1, 949, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 951, 952,
&end
#
# 0 AMB 20-2:1623 62 ARG HA 3.50 (# 1623:20 Single Ambig)
&rst
ixpk= 1623, nxpk= 20, iat= -1, 949, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 954, 955, 978, 979,
&end
#
# 65 VAL MGX 62 ARG HA 2.60 (# 1624:20 Unique 2.07, 5.07 A)
&rst
ixpk= 1624, nxpk= 20, iat= -1, 949, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1011,1012,1013,1015,1016,1017,
&end
#
# 54 LEU MDX 62 ARG HA 4.40 (# 1625:20 Unique 3.33, 5.18 A)
&rst
ixpk= 1625, nxpk= 20, iat= -1, 949, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 834, 835, 836, 838, 839, 840,
&end
#
# 140 LYS HG+ 140 LYS HD+ 2.60 (# 1626:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1626, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2301,2302,
igr2=2304,2305,
&end
#
# 62 ARG HG- 62 ARG HB+ 2.60 (# 1627:20 Unique 2.33, 2.72 A)
&rst
ixpk= 1627, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 954, 955,
igr2= 951, 952,
&end
#
# 0 AMB 20-2:1628 0 AMB 20-1:1628 2.60 (# 1628:20 Double Ambig)
&rst
ixpk= 1628, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1=2301,2302,2253,2254,2255,2257,2258,2259, 954, 955,
igr2=2304,2305,2304,2305, 951, 952,
&end
#
# 62 ARG HG+ 62 ARG HB+ 2.60 (# 1629:20 Unique 2.33, 2.72 A)
&rst
ixpk= 1629, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 954, 955,
igr2= 951, 952,
&end
#
# 0 AMB 20-2:1630 0 AMB 20-1:1630 2.60 (# 1630:20 Double Ambig)
&rst
ixpk= 1630, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2298,2299, 954, 955,
igr2=2304,2305, 951, 952,
&end
#
# 0 AMB 20-2:1631 0 AMB 20-1:1631 2.60 (# 1631:20 Double Ambig)
&rst
ixpk= 1631, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1= 957, 958, 769, 770,
igr2= 951, 952, 951, 952,
&end
#
# 0 AMB 20-2:1632 62 ARG HB- 2.60 (# 1632:20 Single Ambig)
&rst
ixpk= 1632, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1= 957, 958, 769, 770,
igr2= 951, 952,
&end
#
# 140 LYS HE- 140 LYS HD+ 5.50 (# 1633:20 Unique 2.22, 2.68 A)
&rst
ixpk= 1633, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2307,2308,
igr2=2304,2305,
&end
#
# 0 AMB 20-2:1634 0 AMB 20-1:1634 5.50 (# 1634:20 Double Ambig)
&rst
ixpk= 1634, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=2307,2308, 769, 770,
igr2=2304,2305, 951, 952,
&end
#
# 62 ARG HA 62 ARG HB- 3.50 (# 1635:20 Unique 2.34, 2.45 A)
&rst
ixpk= 1635, nxpk= 20, iat= 949, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 951, 952,
&end
#
# 62 ARG HA 62 ARG HB+ 2.60 (# 1636:20 Unique 2.34, 2.45 A)
&rst
ixpk= 1636, nxpk= 20, iat= 949, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 951, 952,
&end
#
# 51 TYR HE 62 ARG HB+ 5.50 (# 1639:20 Unique 1.94, 4.38 A)
&rst
ixpk= 1639, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 775, 780,
igr2= 951, 952,
&end
#
# 51 TYR HE 62 ARG HB- 5.50 (# 1640:20 Unique 1.94, 4.38 A)
&rst
ixpk= 1640, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 775, 780,
igr2= 951, 952,
&end
#
# 63 LYS HN 62 ARG HB+ 3.50 (# 1641:20 Unique 3.49, 3.82 A)
&rst
ixpk= 1641, nxpk= 20, iat= 971, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 951, 952,
&end
#
# 0 AMB 20-2:1642 0 AMB 20-1:1642 3.50 (# 1642:20 Double Ambig)
&rst
ixpk= 1642, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2247, 971,
igr2=2304,2305, 951, 952,
&end
#
# 62 ARG HN 62 ARG HB+ 3.50 (# 1643:20 Unique 2.53, 3.15 A)
&rst
ixpk= 1643, nxpk= 20, iat= 947, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 951, 952,
&end
#
# 62 ARG HN 62 ARG HB- 3.50 (# 1644:20 Unique 2.53, 3.15 A)
&rst
ixpk= 1644, nxpk= 20, iat= 947, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 951, 952,
&end
#
# 62 ARG HB+ 62 ARG HG+ 2.60 (# 1645:20 Unique 2.33, 2.72 A)
&rst
ixpk= 1645, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 951, 952,
igr2= 954, 955,
&end
#
# 62 ARG HB+ 62 ARG HG- 2.60 (# 1646:20 Unique 2.33, 2.72 A)
&rst
ixpk= 1646, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 951, 952,
igr2= 954, 955,
&end
#
# 62 ARG HD+ 62 ARG HG+ 2.60 (# 1647:20 Unique 2.22, 2.61 A)
&rst
ixpk= 1647, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 957, 958,
igr2= 954, 955,
&end
#
# 62 ARG HD+ 62 ARG HG- 2.60 (# 1648:20 Unique 2.22, 2.61 A)
&rst
ixpk= 1648, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 957, 958,
igr2= 954, 955,
&end
#
# 62 ARG HA 62 ARG HG+ 4.40 (# 1649:20 Unique 3.70, 3.74 A)
&rst
ixpk= 1649, nxpk= 20, iat= 949, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 954, 955,
&end
#
# 62 ARG HA 62 ARG HG- 3.50 (# 1650:20 Unique 3.70, 3.74 A)
&rst
ixpk= 1650, nxpk= 20, iat= 949, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 954, 955,
&end
#
# 51 TYR HE 62 ARG HG+ 5.50 (# 1653:20 Unique 4.38, 6.61 A)
&rst
ixpk= 1653, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 775, 780,
igr2= 954, 955,
&end
#
# 51 TYR HE 62 ARG HG- 4.40 (# 1654:20 Unique 4.38, 6.61 A)
&rst
ixpk= 1654, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 775, 780,
igr2= 954, 955,
&end
#
# 63 LYS HN 62 ARG HG- 5.50 (# 1655:20 Unique 1.94, 2.52 A)
&rst
ixpk= 1655, nxpk= 20, iat= 971, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 954, 955,
&end
#
# 0 AMB 20-2:1656 0 AMB 20-1:1656 5.50 (# 1656:20 Double Ambig)
&rst
ixpk= 1656, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 844, 721,
igr2= 954, 955, 954, 955,
&end
#
# 62 ARG HN 62 ARG HG- 4.40 (# 1657:20 Unique 1.91, 2.42 A)
&rst
ixpk= 1657, nxpk= 20, iat= 947, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 954, 955,
&end
#
# 62 ARG HN 62 ARG HG+ 3.50 (# 1658:20 Unique 1.91, 2.42 A)
&rst
ixpk= 1658, nxpk= 20, iat= 947, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 954, 955,
&end
#
# 62 ARG HN 62 ARG HD+ 4.40 (# 1659:20 Unique 4.02, 4.37 A)
&rst
ixpk= 1659, nxpk= 20, iat= 947, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 957, 958,
&end
#
# 63 LYS HN 62 ARG HD+ 5.50 (# 1660:20 Unique 4.13, 4.57 A)
&rst
ixpk= 1660, nxpk= 20, iat= 971, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 957, 958,
&end
#
# 51 TYR HD 62 ARG HD+ 5.50 (# 1661:20 Unique 2.77, 6.19 A)
&rst
ixpk= 1661, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 773, 782,
igr2= 957, 958,
&end
#
# 62 ARG HE 62 ARG HD+ 2.60 (# 1663:20 Unique 2.28, 2.68 A)
&rst
ixpk= 1663, nxpk= 20, iat= 960, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 957, 958,
&end
#
# 51 TYR HE 62 ARG HD+ 3.50 (# 1664:20 Unique 2.81, 6.47 A)
&rst
ixpk= 1664, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 775, 780,
igr2= 957, 958,
&end
#
# 62 ARG HA 62 ARG HD+ 4.40 (# 1665:20 Unique 4.53, 5.11 A)
&rst
ixpk= 1665, nxpk= 20, iat= 949, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 957, 958,
&end
#
# 62 ARG HB+ 62 ARG HD+ 2.60 (# 1666:20 Unique 2.17, 3.17 A)
&rst
ixpk= 1666, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 951, 952,
igr2= 957, 958,
&end
#
# 62 ARG HG+ 62 ARG HD+ 2.60 (# 1667:20 Unique 2.22, 2.61 A)
&rst
ixpk= 1667, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 954, 955,
igr2= 957, 958,
&end
#
# 62 ARG HG- 62 ARG HD+ 2.60 (# 1669:20 Unique 2.22, 2.61 A)
&rst
ixpk= 1669, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 954, 955,
igr2= 957, 958,
&end
#
# 0 AMB 20-2:1670 63 LYS HA 4.40 (# 1670:20 Single Ambig)
&rst
ixpk= 1670, nxpk= 20, iat= -1, 973, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 954, 955,1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 20-2:1671 0 AMB 20-1:1671 4.40 (# 1671:20 Double Ambig)
&rst
ixpk= 1671, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.14, r4= 8.89,
igr1=1745,1746,1747,1749,1750,1751, 224, 225, 185, 186,
187, 227, 228, 229, 834, 835, 836, 838, 839, 840,
igr2= 973, 341,
&end
#
# 0 AMB 20-2:1672 0 AMB 20-1:1672 3.50 (# 1672:20 Double Ambig)
&rst
ixpk= 1672, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
igr1= 978, 979, 978, 979, 350, 351, 352,
igr2= 973, 341,
&end
#
# 0 AMB 20-2:1673 63 LYS HA 4.40 (# 1673:20 Single Ambig)
&rst
ixpk= 1673, nxpk= 20, iat= -1, 973, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 951, 952, 951, 952, 921, 922,
&end
#
# 0 AMB 20-2:1674 0 AMB 20-1:1674 2.97 (# 1674:20 Double Ambig)
&rst
ixpk= 1674, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 981, 982, 224, 225,
igr2= 973, 341,
&end
#
# 0 AMB 20-2:1675 63 LYS HA 2.60 (# 1675:20 Single Ambig)
&rst
ixpk= 1675, nxpk= 20, iat= -1, 973, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 975, 976, 975, 976,
&end
#
# 63 LYS HN 63 LYS HA 3.50 (# 1676:20 Unique 2.83, 2.87 A)
&rst
ixpk= 1676, nxpk= 20, iat= 971, 973, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 24 TRP HN 23 MET HA 4.40 (# 1677:20 Unique 2.14, 2.22 A)
&rst
ixpk= 1677, nxpk= 20, iat= 356, 341, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 22 VAL HN 21 GLN HB+ 5.50 (# 1678:20 Unique 1.93, 3.05 A)
&rst
ixpk= 1678, nxpk= 20, iat= 323, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 310, 311,
&end
#
# 22 VAL HN 21 GLN HB+ 4.40 (# 1679:20 Unique 1.93, 3.05 A)
&rst
ixpk= 1679, nxpk= 20, iat= 323, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 310, 311,
&end
#
# 63 LYS HN 63 LYS HB- 2.60 (# 1680:20 Unique 2.38, 3.05 A)
&rst
ixpk= 1680, nxpk= 20, iat= 971, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 975, 976,
&end
#
# 63 LYS HN 63 LYS HB+ 2.60 (# 1681:20 Unique 2.38, 3.05 A)
&rst
ixpk= 1681, nxpk= 20, iat= 971, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 975, 976,
&end
#
# 63 LYS HA 63 LYS HB+ 2.60 (# 1682:20 Unique 2.34, 2.45 A)
&rst
ixpk= 1682, nxpk= 20, iat= 973, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 975, 976,
&end
#
# 63 LYS HA 63 LYS HB- 2.60 (# 1683:20 Unique 2.34, 2.45 A)
&rst
ixpk= 1683, nxpk= 20, iat= 973, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 975, 976,
&end
#
# 0 AMB 20-2:1684 0 AMB 20-1:1684 2.60 (# 1684:20 Double Ambig)
&rst
ixpk= 1684, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 978, 979, 978, 979, 978, 979,
igr2= 975, 976, 975, 976, 975, 976,
&end
#
# 0 AMB 20-2:1685 63 LYS HB- 2.60 (# 1685:20 Single Ambig)
&rst
ixpk= 1685, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1= 978, 979, 978, 979,
igr2= 975, 976,
&end
#
# 63 LYS HN 63 LYS HG+ 2.60 (# 1686:20 Unique 2.21, 2.84 A)
&rst
ixpk= 1686, nxpk= 20, iat= 971, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2= 978, 979,
&end
#
# 63 LYS HN 63 LYS HG- 3.50 (# 1687:20 Unique 2.21, 2.84 A)
&rst
ixpk= 1687, nxpk= 20, iat= 971, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 978, 979,
&end
#
# 63 LYS HA 63 LYS HG+ 3.50 (# 1690:20 Unique 3.59, 3.92 A)
&rst
ixpk= 1690, nxpk= 20, iat= 973, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 978, 979,
&end
#
# 63 LYS HA 0 AMB 20-1:1691 4.40 (# 1691:20 Single Ambig)
&rst
ixpk= 1691, nxpk= 20, iat= 973, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr2= 978, 979, 978, 979,
&end
#
# 61 SER HB- 0 AMB 20-1:1693 4.40 (# 1693:20 Single Ambig)
&rst
ixpk= 1693, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 940, 941,
igr2= 978, 979, 978, 979,
&end
#
# 0 AMB 20-2:1694 0 AMB 20-1:1694 2.60 (# 1694:20 Double Ambig)
&rst
ixpk= 1694, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1= 984, 985, 984, 985,
igr2= 978, 979, 978, 979,
&end
#
# 63 LYS HE+ 63 LYS HG- 2.60 (# 1695:20 Unique 2.02, 3.10 A)
&rst
ixpk= 1695, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 984, 985,
igr2= 978, 979,
&end
#
# 0 AMB 20-2:1696 0 AMB 20-1:1696 2.60 (# 1696:20 Double Ambigcnoe_amber.rst)
&rst
ixpk= 1696, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 975, 976, 975, 976, 975, 976,
igr2= 978, 979, 978, 979, 978, 979,
&end
#
# 0 AMB 20-2:1697 63 LYS HG- 2.60 (# 1697:20 Single Ambig)
&rst
ixpk= 1697, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1= 975, 976, 975, 976,
igr2= 978, 979,
&end
#
# 63 LYS HD+ 63 LYS HG+ 2.60 (# 1698:20 Unique 2.22, 2.68 A)
&rst
ixpk= 1698, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 981, 982,
igr2= 978, 979,
&end
#
# 63 LYS HD+ 63 LYS HG- 2.60 (# 1699:20 Unique 2.22, 2.68 A)
&rst
ixpk= 1699, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 981, 982,
igr2= 978, 979,
&end
#
# 0 AMB 20-2:1700 0 AMB 20-1:1700 2.60 (# 1700:20 Double Ambig)
&rst
ixpk= 1700, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1= 978, 979, 978, 979,
igr2= 981, 982, 981, 982,
&end
#
# 63 LYS HB- 63 LYS HD+ 2.60 (# 1701:20 Unique 2.00, 3.23 A)
&rst
ixpk= 1701, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 975, 976,
igr2= 981, 982,
&end
#
# 63 LYS HE+ 63 LYS HD+ 2.60 (# 1702:20 Unique 2.26, 2.67 A)
&rst
ixpk= 1702, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 984, 985,
igr2= 981, 982,
&end
#
# 63 LYS HA 63 LYS HD+ 5.50 (# 1703:20 Unique 3.72, 4.21 A)
&rst
ixpk= 1703, nxpk= 20, iat= 973, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 981, 982,
&end
#
# 63 LYS HN 63 LYS HD+ 4.40 (# 1704:20 Unique 4.23, 4.53 A)
&rst
ixpk= 1704, nxpk= 20, iat= 971, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 981, 982,
&end
#
# 0 AMB 20-2:1705 0 AMB 20-1:1705 4.40 (# 1705:20 Double Ambig)
&rst
ixpk= 1705, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.84, r4= 8.59,
igr1=2470,1490,1506,1380,
igr2=2483,2484,1467,1468,1467,1468,1467,1468,
&end
#
# 0 AMB 20-2:1706 0 AMB 20-1:1706 4.40 (# 1706:20 Double Ambig)
&rst
ixpk= 1706, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=2294,2274,
igr2=2307,2308,2307,2308,
&end
#
# 0 AMB 20-2:1707 0 AMB 20-1:1707 4.40 (# 1707:20 Double Ambig)
&rst
ixpk= 1707, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1=2316,1755, 294, 295,
igr2=2307,2308, 984, 985,2714,2715,
&end
#
# 7 TYR HD 78 LYS HE+ 4.40 (# 1708:20 Unique 4.21, 8.63 A)
&rst
ixpk= 1708, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 91, 100,
igr2=1257,1258,
&end
#
# 0 AMB 20-2:1709 0 AMB 20-1:1709 3.55 (# 1709:20 Double Ambig)
&rst
ixpk= 1709, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.02, r4= 5.77,
igr1=2697,2472,
igr2=2714,2715,2483,2484,
&end
#
# 0 AMB 20-2:1710 0 AMB 20-1:1710 2.60 (# 1710:20 Double Ambig)
&rst
ixpk= 1710, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.95, r4= 6.70,
igr1= 790, 791,2480,2481,1254,1255,1309,1310,1248,1249,
975, 976,
igr2= 796, 797,2483,2484,1257,1258,1312,1313,1257,1258,
984, 985,
&end
#
# 0 AMB 20-2:1712 0 AMB 20-1:1712 2.60 (# 1712:20 Double Ambig)
&rst
ixpk= 1712, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1= 978, 979,1461,1462,
igr2= 984, 985,1467,1468,
&end
#
# 140 LYS HG+ 140 LYS HE+ 2.60 (# 1713:20 Unique 1.95, 3.27 A)
&rst
ixpk= 1713, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2301,2302,
igr2=2307,2308,
&end
#
# 61 SER HN 64 ASP HB+ 4.40 (# 1714:20 Unique 2.07, 3.01 A)
&rst
ixpk= 1714, nxpk= 20, iat= 936, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 997, 998,
&end
#
# 64 ASP HN 64 ASP HB+ 3.50 (# 1715:20 Unique 2.24, 2.97 A)
&rst
ixpk= 1715, nxpk= 20, iat= 993, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 997, 998,
&end
#
# 104 LEU MDX 64 ASP HB+ 4.40 (# 1716:20 Unique 2.85, 5.80 A)
&rst
ixpk= 1716, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1729,1730,1731,1733,1734,1735,
igr2= 997, 998,
&end
#
# 0 AMB 20-2:1717 0 AMB 20-1:1717 3.50 (# 1717:20 Double Ambig)
&rst
ixpk= 1717, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1011,1012,1013,1015,1016,1017,1745,1746,1747,1749,
1750,1751,
igr2= 997, 998, 997, 998,
&end
#
# 0 AMB 20-2:1718 0 AMB 20-1:1718 3.50 (# 1718:20 Double Ambig)
&rst
ixpk= 1718, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
igr2= 997, 998, 997, 998,
&end
#
# 105 VAL HN 65 VAL HA 3.50 (# 1719:20 Unique 2.38, 2.75 A)
&rst
ixpk= 1719, nxpk= 20, iat=1739,1007, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 ARG HN 65 VAL HA 2.60 (# 1720:20 Unique 2.17, 2.27 A)
&rst
ixpk= 1720, nxpk= 20, iat=1021,1007, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 65 VAL HN 65 VAL HA 4.40 (# 1721:20 Unique 2.90, 2.91 A)
&rst
ixpk= 1721, nxpk= 20, iat=1005,1007, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 104 LEU HA 65 VAL HA 3.50 (# 1722:20 Unique 2.66, 2.97 A)
&rst
ixpk= 1722, nxpk= 20, iat=1722,1007, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 VAL HB 65 VAL HA 2.60 (# 1723:20 Unique 2.48, 2.63 A)
&rst
ixpk= 1723, nxpk= 20, iat=1009,1007, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 66 ARG HB+ 65 VAL HA 4.40 (# 1724:20 Unique 4.12, 4.90 A)
&rst
ixpk= 1724, nxpk= 20, iat= -1,1007, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1025,1026,
&end
#
# 0 AMB 20-2:1725 65 VAL HA 5.50 (# 1725:20 Single Ambig)
&rst
ixpk= 1725, nxpk= 20, iat= -1,1007, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1028,1029,1727, 921, 922, 924,
&end
#
# 102 LEU HB- 65 VAL HA 5.50 (# 1726:20 Unique 3.77, 4.88 A)
&rst
ixpk= 1726, nxpk= 20, iat= -1,1007, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1688,1689,
&end
#
# 0 AMB 20-2:1727 65 VAL HA 2.60 (# 1727:20 Single Ambig)
&rst
ixpk= 1727, nxpk= 20, iat= -1,1007, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=1011,1012,1013,1015,1016,1017,1011,1012,1013,1015,
1016,1017,1745,1746,1747,1749,1750,1751,
&end
#
# 105 VAL MGX 65 VAL HA 2.60 (# 1728:20 Unique 2.01, 4.50 A)
&rst
ixpk= 1728, nxpk= 20, iat= -1,1007, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1745,1746,1747,1749,1750,1751,
&end
#
# 0 AMB 20-2:1729 65 VAL HB 2.60 (# 1729:20 Single Ambig)
&rst
ixpk= 1729, nxpk= 20, iat= -1,1009, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1011,1012,1013,1015,1016,1017,1011,1012,1013,1015,
1016,1017,
&end
#
# 0 AMB 20-2:1730 65 VAL HB 3.50 (# 1730:20 Single Ambig)
&rst
ixpk= 1730, nxpk= 20, iat= -1,1009, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
igr1= 834, 835, 836, 838, 839, 840, 834, 835, 836, 838,
839, 840, 227, 228, 229,1745,1746,1747,1749,1750,
1751,
&end
#
# 102 LEU HB- 65 VAL HB 4.40 (# 1731:20 Unique 3.05, 4.90 A)
&rst
ixpk= 1731, nxpk= 20, iat= -1,1009, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1688,1689,
&end
#
# 0 AMB 20-2:1732 0 AMB 20-1:1732 3.50 (# 1732:20 Double Ambig)
&rst
ixpk= 1732, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1688,1689, 752, 753, 755, 756, 224, 225,
igr2=1009, 713, 714,
&end
#
# 65 VAL HA 65 VAL HB 3.50 (# 1735:20 Unique 2.48, 2.63 A)
&rst
ixpk= 1735, nxpk= 20, iat=1007,1009, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 ARG HN 65 VAL HB 3.50 (# 1736:20 Unique 3.27, 3.98 A)
&rst
ixpk= 1736, nxpk= 20, iat=1021,1009, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:1737 65 VAL MGX 3.50 (# 1737:20 Single Ambig)
&rst
ixpk= 1737, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 954, 955, 978, 979, 752, 753,1820,1821,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 20-2:1738 65 VAL MGX 4.40 (# 1738:20 Single Ambig)
&rst
ixpk= 1738, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1703,1045,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 20-2:1739 0 AMB 20-1:1739 4.40 (# 1739:20 Double Ambig)
&rst
ixpk= 1739, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1=1703,1045,
igr2=1011,1012,1013,1015,1016,1017,1745,1746,1747,1749,
1750,1751,
&end
#
# 105 VAL HN 105 VAL MGY 2.60 (# 1740:20 Unique 1.95, 3.67 A)
&rst
ixpk= 1740, nxpk= 20, iat=1739, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1745,1746,1747,1749,1750,1751,
&end
#
# 0 AMB 20-2:1741 0 AMB 20-1:1741 5.50 (# 1741:20 Double Ambig)
&rst
ixpk= 1741, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1=1720, 864,
igr2=1011,1012,1013,1015,1016,1017,1883,1884,1885,1745,
1746,1747,1749,1750,1751,
&end
#
# 66 ARG HN 0 AMB 20-1:1742 3.50 (# 1742:20 Single Ambig)
&rst
ixpk= 1742, nxpk= 20, iat=1021, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr2=1011,1012,1013,1015,1016,1017,1745,1746,1747,1749,
1750,1751,
&end
#
# 114 GLN HN 115 THR MG2 3.50 (# 1743:20 Unique 4.25, 5.58 A)
&rst
ixpk= 1743, nxpk= 20, iat=1860, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1883,1884,1885,
&end
#
# 116 SER HN 115 THR MG2 4.40 (# 1744:20 Unique 4.16, 4.70 A)
&rst
ixpk= 1744, nxpk= 20, iat=1891, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=1883,1884,1885,
&end
#
# 0 AMB 20-2:1745 0 AMB 20-1:1745 2.60 (# 1745:20 Double Ambig)
&rst
ixpk= 1745, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=1877, 993,
igr2=1883,1884,1885,1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 20-2:1746 0 AMB 20-1:1746 2.60 (# 1746:20 Double Ambig)
&rst
ixpk= 1746, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.90, r4= 5.65,
igr1=1838,1839,1005,
igr2=1883,1884,1885,1011,1012,1013,1015,1016,1017,1745,
1746,1747,1749,1750,1751,
&end
#
# 0 AMB 20-2:1747 0 AMB 20-1:1747 3.50 (# 1747:20 Double Ambig)
&rst
ixpk= 1747, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
igr1=1755, 854, 858,
igr2=1745,1746,1747,1749,1750,1751,1883,1884,1885,
&end
#
# 0 AMB 20-2:1748 0 AMB 20-1:1748 3.50 (# 1748:20 Double Ambig)
&rst
ixpk= 1748, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
igr1=1034, 852, 860,
igr2=1745,1746,1747,1749,1750,1751,1883,1884,1885,
&end
#
# 112 ASN HD2- 115 THR MG2 3.50 (# 1749:20 Unique 2.13, 4.30 A)
&rst
ixpk= 1749, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1838,1839,
igr2=1883,1884,1885,
&end
#
# 0 AMB 20-2:1750 0 AMB 20-1:1750 5.50 (# 1750:20 Double Ambig)
&rst
ixpk= 1750, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.29, r4=12.04,
igr1=1872,1873,1715,1716, 960,
igr2=1883,1884,1885,1745,1746,1747,1749,1750,1751,1011,
1012,1013,1015,1016,1017,
&end
#
# 65 VAL HA 0 AMB 20-1:1751 2.60 (# 1751:20 Single Ambig)
&rst
ixpk= 1751, nxpk= 20, iat=1007, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1011,1012,1013,1015,1016,1017,1745,1746,1747,1749,
1750,1751,
&end
#
# 105 VAL HA 105 VAL MGY 2.60 (# 1753:20 Unique 2.26, 3.31 A)
&rst
ixpk= 1753, nxpk= 20, iat=1741, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1745,1746,1747,1749,1750,1751,
&end
#
# 59 GLY HA- 115 THR MG2 3.50 (# 1754:20 Unique 4.39, 5.83 A)
&rst
ixpk= 1754, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 912, 913,
igr2=1883,1884,1885,
&end
#
# 66 ARG HD+ 105 VAL MGY 3.50 (# 1755:20 Unique 2.00, 4.95 A)
&rst
ixpk= 1755, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1031,1032,
igr2=1745,1746,1747,1749,1750,1751,
&end
#
# 0 AMB 20-2:1756 0 AMB 20-1:1756 3.50 (# 1756:20 Double Ambig)
&rst
ixpk= 1756, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 997, 998, 997, 998,
igr2=1011,1012,1013,1015,1016,1017,1745,1746,1747,1749,
1750,1751,
&end
#
# 0 AMB 20-2:1757 0 AMB 20-1:1757 3.50 (# 1757:20 Double Ambig)
&rst
ixpk= 1757, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1833,1834, 769, 770,
igr2=1883,1884,1885,1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 20-2:1758 0 AMB 20-1:1758 3.50 (# 1758:20 Double Ambig55)
&rst
ixpk= 1758, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.77, r4= 8.52,
igr1=1710,1711, 868, 869, 829, 830,1710,1711,
igr2=1745,1746,1747,1749,1750,1751,1883,1884,1885,1011,
1012,1013,1015,1016,1017,
&end
#
# 105 VAL HB 105 VAL MGY 2.60 (# 1759:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1759, nxpk= 20, iat=1743, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1745,1746,1747,1749,1750,1751,
&end
#
# 102 LEU HG 65 VAL MGY 4.40 (# 1760:20 Unique 3.04, 4.80 A)
&rst
ixpk= 1760, nxpk= 20, iat=1691, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 66 ARG HB+ 105 VAL MGY 3.50 (# 1761:20 Unique 2.68, 5.86 A)
&rst
ixpk= 1761, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1025,1026,
igr2=1745,1746,1747,1749,1750,1751,
&end
#
# 0 AMB 20-2:1762 0 AMB 20-1:1762 3.50 (# 1762:20 Double Ambig)
&rst
ixpk= 1762, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.77, r4= 8.52,
igr1= 978, 979, 954, 955, 752, 753,1820,1821,1068,1069,
igr2=1745,1746,1747,1749,1750,1751,1011,1012,1013,1015,
1016,1017,
&end
#
# 0 AMB 20-2:1763 65 VAL MGY 2.60 (# 1763:20 Single Ambig)
&rst
ixpk= 1763, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
igr2=1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 20-2:1766 66 ARG HA 2.60 (# 1766:20 Single Ambig)
&rst
ixpk= 1766, nxpk= 20, iat= -1,1023, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1025,1026,1055,1056,
&end
#
# 66 ARG HN 66 ARG HA 4.40 (# 1767:20 Unique 2.92, 2.93 A)
&rst
ixpk= 1767, nxpk= 20, iat=1021,1023, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 0 AMB 20-2:1769 0 AMB 20-1:1769 3.50 (# 1769:20 Double Ambig)
&rst
ixpk= 1769, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1745,1746,1747,1749,1750,1751,1073,1074,1075,1077,
1078,1079,
igr2=1025,1026,1025,1026,
&end
#
# 105 VAL MGY 66 ARG HB+ 3.50 (# 1770:20 Unique 2.68, 5.86 A)
&rst
ixpk= 1770, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1745,1746,1747,1749,1750,1751,
igr2=1025,1026,
&end
#
# 0 AMB 20-2:1771 0 AMB 20-1:1771 2.60 (# 1771:20 Double Ambig)
&rst
ixpk= 1771, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2708,2709,1028,1029,
igr2=2705,2706,1025,1026,
&end
#
# 66 ARG HD+ 66 ARG HB+ 3.50 (# 1772:20 Unique 2.24, 3.42 A)
&rst
ixpk= 1772, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1031,1032,
igr2=1025,1026,
&end
#
# 89 LYS HA 89 LYS HB+ 2.60 (# 1773:20 Unique 2.27, 2.48 A)
&rst
ixpk= 1773, nxpk= 20, iat=1456, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1458,1459,
&end
#
# 66 ARG HA 66 ARG HB+ 3.50 (# 1774:20 Unique 2.31, 2.45 A)
&rst
ixpk= 1774, nxpk= 20, iat=1023, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1025,1026,
&end
#
# 89 LYS HN 89 LYS HB+ 3.50 (# 1775:20 Unique 2.13, 2.79 A)
&rst
ixpk= 1775, nxpk= 20, iat=1454, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1458,1459,
&end
#
# 66 ARG HN 66 ARG HB+ 4.40 (# 1776:20 Unique 2.98, 3.49 A)
&rst
ixpk= 1776, nxpk= 20, iat=1021, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1025,1026,
&end
#
# 67 ILE HN 66 ARG HB+ 3.50 (# 1777:20 Unique 2.88, 3.61 A)
&rst
ixpk= 1777, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1025,1026,
&end
#
# 0 AMB 20-2:1778 0 AMB 20-1:1778 3.50 (# 1778:20 Double Ambig)
&rst
ixpk= 1778, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1703,1045,
igr2=1028,1029,1028,1029,
&end
#
# 83 LEU HN 82 ARG HG- 4.40 (# 1779:20 Unique 2.20, 3.20 A)
&rst
ixpk= 1779, nxpk= 20, iat=1345, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1328,1329,
&end
#
# 66 ARG HE 66 ARG HG+ 5.50 (# 1780:20 Unique 2.68, 3.55 A)
&rst
ixpk= 1780, nxpk= 20, iat=1034, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1028,1029,
&end
#
# 66 ARG HA 66 ARG HG- 3.50 (# 1781:20 Unique 3.54, 3.89 A)
&rst
ixpk= 1781, nxpk= 20, iat=1023, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1028,1029,
&end
#
# 66 ARG HA 66 ARG HG+ 3.50 (# 1782:20 Unique 3.54, 3.89 A)
&rst
ixpk= 1782, nxpk= 20, iat=1023, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1028,1029,
&end
#
# 0 AMB 20-2:1783 0 AMB 20-1:1783 3.50 (# 1783:20 Double Ambig)
&rst
ixpk= 1783, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1347,1066,1295,
igr2=1328,1329,1028,1029,
&end
#
# 82 ARG HA 82 ARG HG- 3.50 (# 1784:20 Unique 3.58, 3.73 A)
&rst
ixpk= 1784, nxpk= 20, iat=1323, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1328,1329,
&end
#
# 66 ARG HD+ 66 ARG HG+ 2.60 (# 1785:20 Unique 2.22, 2.65 A)
&rst
ixpk= 1785, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1031,1032,
igr2=1028,1029,
&end
#
# 0 AMB 20-2:1787 0 AMB 20-1:1787 2.60 (# 1787:20 Double Ambig)
&rst
ixpk= 1787, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.96, r4= 5.71,
igr1=1073,1074,1075,1077,1078,1079,2617,2618,2619,2621,
2622,2623,
igr2=1028,1029, 265, 266,
&end
#
# 0 AMB 20-2:1788 82 ARG HG- 2.60 (# 1788:20 Single Ambig)
&rst
ixpk= 1788, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=1354,1355,1356,1358,1359,1360,1354,1355,1356,1358,
1359,1360,
igr2=1328,1329,
&end
#
# 0 AMB 20-2:1789 0 AMB 20-1:1789 2.60 (# 1789:20 Double Ambig)
&rst
ixpk= 1789, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.96, r4= 5.71,
igr1=1073,1074,1075,1077,1078,1079,1745,1746,1747,1749,
1750,1751,
igr2=1031,1032,1031,1032,
&end
#
# 105 VAL MGY 66 ARG HD+ 2.60 (# 1790:20 Unique 2.00, 4.95 A)
&rst
ixpk= 1790, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1745,1746,1747,1749,1750,1751,
igr2=1031,1032,
&end
#
# 133 VAL MGX 0 AMB 20-1:1791 3.50 (# 1791:20 Single Ambig)
&rst
ixpk= 1791, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2180,2181,2182,2184,2185,2186,
igr2=2326,2327,2200,2201,
&end
#
# 0 AMB 20-2:1792 0 AMB 20-1:1792 2.60 (# 1792:20 Double Ambig)
&rst
ixpk= 1792, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2194,2195,1025,1026,
igr2=2200,2201,1031,1032,
&end
#
# 66 ARG HG- 66 ARG HD+ 2.60 (# 1793:20 Unique 2.22, 2.65 A)
&rst
ixpk= 1793, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1028,1029,
igr2=1031,1032,
&end
#
# 0 AMB 20-2:1794 0 AMB 20-1:1794 2.60 (# 1794:20 Double Ambig)
&rst
ixpk= 1794, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2323,2324,2197,2198,
igr2=2326,2327,2200,2201,
&end
#
# 0 AMB 20-2:1795 0 AMB 20-1:1795 4.40 (# 1795:20 Double Ambig)
&rst
ixpk= 1795, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1=2307,2308,2143,2144,2143,2144,
igr2=2326,2327,2200,2201,2200,2201,
&end
#
# 134 ARG HA 0 AMB 20-1:1796 2.60 (# 1796:20 Single Ambig)
&rst
ixpk= 1796, nxpk= 20, iat=2192, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr2=2200,2201,2326,2327,
&end
#
# 66 ARG HA 66 ARG HD+ 4.40 (# 1797:20 Unique 3.76, 4.32 A)
&rst
ixpk= 1797, nxpk= 20, iat=1023, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1031,1032,
&end
#
# 0 AMB 20-2:1798 0 AMB 20-1:1798 2.60 (# 1798:20 Double Ambig)
&rst
ixpk= 1798, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.20, r4= 5.95,
igr1=2226,2227, 294, 295,1040,1041,1040,1041,
igr2=2200,2201, 268, 269,1031,1032, 268, 269,
&end
#
# 66 ARG HE 66 ARG HD+ 2.60 (# 1799:20 Unique 2.27, 2.57 A)
&rst
ixpk= 1799, nxpk= 20, iat=1034, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1031,1032,
&end
#
# 66 ARG HN 66 ARG HD+ 4.40 (# 1800:20 Unique 1.90, 2.53 A)
&rst
ixpk= 1800, nxpk= 20, iat=1021, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1031,1032,
&end
#
# 103 GLN HN 66 ARG HD+ 3.50 (# 1801:20 Unique 2.45, 3.33 A)
&rst
ixpk= 1801, nxpk= 20, iat=1703, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1031,1032,
&end
#
# 67 ILE HB 67 ILE HA 5.50 (# 1802:20 Unique 3.01, 3.02 A)
&rst
ixpk= 1802, nxpk= 20, iat=1049,1047, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1803 67 ILE HA 2.60 (# 1803:20 Single Ambig)
&rst
ixpk= 1803, nxpk= 20, iat= -1,1047, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1688,1689,1055,1056,
&end
#
# 0 AMB 20-2:1805 67 ILE HB 2.60 (# 1805:20 Single Ambig)
&rst
ixpk= 1805, nxpk= 20, iat= -1,1049, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=1055,1056,1693,1694,1695,1697,1698,1699,
&end
#
# 0 AMB 20-2:1806 67 ILE HB 2.60 (# 1806:20 Single Ambig)
&rst
ixpk= 1806, nxpk= 20, iat= -1,1049, r1= 0.00, r2= 1.80, r3= 3.75, r4= 4.50,
igr1=1058,1059,1060,1693,1694,1695,1697,1698,1699,
&end
#
# 67 ILE QG2 67 ILE HB 2.60 (# 1807:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1807, nxpk= 20, iat= -1,1049, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr1=1051,1052,1053,
&end
#
# 67 ILE HG1- 67 ILE HB 3.50 (# 1808:20 Unique 2.41, 2.74 A)
&rst
ixpk= 1808, nxpk= 20, iat= -1,1049, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1055,1056,
&end
#
# 67 ILE HA 67 ILE HB 5.50 (# 1809:20 Unique 3.01, 3.02 A)
&rst
ixpk= 1809, nxpk= 20, iat=1047,1049, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:1810 67 ILE HB 5.50 (# 1810:20 Single Ambig)
&rst
ixpk= 1810, nxpk= 20, iat= -1,1049, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1023,1647,
&end
#
# 67 ILE HN 67 ILE HB 3.50 (# 1811:20 Unique 2.49, 2.57 A)
&rst
ixpk= 1811, nxpk= 20, iat=1045,1049, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 67 ILE HN 67 ILE HG1- 4.40 (# 1813:20 Unique 1.96, 2.75 A)
&rst
ixpk= 1813, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1055,1056,
&end
#
# 82 ARG HN 82 ARG HG+ 3.50 (# 1814:20 Unique 2.00, 2.31 A)
&rst
ixpk= 1814, nxpk= 20, iat=1321, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1328,1329,
&end
#
# 73 ASN HN 72 ARG HG- 4.40 (# 1815:20 Unique 3.10, 4.58 A)
&rst
ixpk= 1815, nxpk= 20, iat=1142, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1125,1126,
&end
#
# 27 ARG HD+ 27 ARG HG- 4.40 (# 1816:20 Unique 2.22, 2.71 A)
&rst
ixpk= 1816, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 424, 425,
igr2= 421, 422,
&end
#
# 0 AMB 20-2:1818 0 AMB 20-1:1818 2.60 (# 1818:20 Double Ambig)
&rst
ixpk= 1818, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1693,1694,1695,1697,1698,1699,1058,1059,1060,
igr2=1055,1056,1055,1056,
&end
#
# 67 ILE QG2 67 ILE HG1+ 4.40 (# 1819:20 Unique 2.36, 3.51 A)
&rst
ixpk= 1819, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1051,1052,1053,
igr2=1055,1056,
&end
#
# 67 ILE HB 67 ILE HG1+ 4.40 (# 1821:20 Unique 2.41, 2.74 A)
&rst
ixpk= 1821, nxpk= 20, iat=1049, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1055,1056,
&end
#
# 66 ARG HA 67 ILE HG1+ 5.50 (# 1822:20 Unique 3.49, 4.19 A)
&rst
ixpk= 1822, nxpk= 20, iat=1023, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1055,1056,
&end
#
# 67 ILE HN 67 ILE HG1+ 5.50 (# 1823:20 Unique 1.96, 2.75 A)
&rst
ixpk= 1823, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1055,1056,
&end
#
# 67 ILE HN 67 ILE QD1 3.50 (# 1824:20 Unique 3.88, 4.46 A)
&rst
ixpk= 1824, nxpk= 20, iat=1045, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1058,1059,1060,
&end
#
# 0 AMB 20-2:1825 67 ILE QD1 5.50 (# 1825:20 Single Ambig)
&rst
ixpk= 1825, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1083, 172,1621,
igr2=1058,1059,1060,
&end
#
# 100 PHE HD 67 ILE QD1 3.50 (# 1826:20 Unique 1.99, 4.80 A)
&rst
ixpk= 1826, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1653,1661,
igr2=1058,1059,1060,
&end
#
# 51 TYR HE 67 ILE QD1 3.50 (# 1827:20 Unique 2.16, 5.18 A)
&rst
ixpk= 1827, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 775, 780,
igr2=1058,1059,1060,
&end
#
# 0 AMB 20-2:1829 67 ILE QD1 4.40 (# 1829:20 Single Ambig)
&rst
ixpk= 1829, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1047, 767,
igr2=1058,1059,1060,
&end
#
# 0 AMB 20-2:1830 67 ILE QD1 3.50 (# 1830:20 Single Ambig)
&rst
ixpk= 1830, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 713, 714, 710, 711,
igr2=1058,1059,1060,
&end
#
# 0 AMB 20-2:1831 67 ILE QD1 2.60 (# 1831:20 Single Ambig)
&rst
ixpk= 1831, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.75, r4= 4.50,
igr1=1049, 710, 711,
igr2=1058,1059,1060,
&end
#
# 67 ILE HG1- 67 ILE QD1 2.60 (# 1832:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1832, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1055,1056,
igr2=1058,1059,1060,
&end
#
# 67 ILE QG2 67 ILE QD1 2.60 (# 1833:20 Unique 1.98, 3.59 A)
&rst
ixpk= 1833, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.75, r4= 4.50,
igr1=1051,1052,1053,
igr2=1058,1059,1060,
&end
#
# 50 MET ME 67 ILE QD1 2.60 (# 1834:20 Unique 1.99, 3.65 A)
&rst
ixpk= 1834, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.75, r4= 4.50,
igr1= 759, 760, 761,
igr2=1058,1059,1060,
&end
#
# 0 AMB 20-2:1835 67 ILE QG2 2.60 (# 1835:20 Single Ambig)
&rst
ixpk= 1835, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=1693,1694,1695,1697,1698,1699,1055,1056,
igr2=1051,1052,1053,
&end
#
# 50 MET ME 67 ILE QG2 4.40 (# 1836:20 Unique 3.91, 5.69 A)
&rst
ixpk= 1836, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1= 759, 760, 761,
igr2=1051,1052,1053,
&end
#
# 0 AMB 20-2:1837 67 ILE QG2 2.60 (# 1837:20 Single Ambig)
&rst
ixpk= 1837, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,
igr1=1058,1059,1060,1693,1694,1695,1697,1698,1699,
igr2=1051,1052,1053,
&end
#
# 0 AMB 20-2:1838 67 ILE QG2 5.50 (# 1838:20 Single Ambig)
&rst
ixpk= 1838, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1=1068,1069,1087,1088,1089,
igr2=1051,1052,1053,
&end
#
# 68 LEU HB- 67 ILE QG2 5.50 (# 1839:20 Unique 4.62, 6.17 A)
&rst
ixpk= 1839, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1068,1069,
igr2=1051,1052,1053,
&end
#
# 0 AMB 20-2:1840 67 ILE QG2 2.60 (# 1840:20 Single Ambig)
&rst
ixpk= 1840, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1055,1056,1688,1689,
igr2=1051,1052,1053,
&end
#
# 67 ILE HB 67 ILE QG2 2.60 (# 1841:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1841, nxpk= 20, iat=1049, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2=1051,1052,1053,
&end
#
# 100 PHE HB+ 67 ILE QG2 4.40 (# 1842:20 Unique 2.82, 5.19 A)
&rst
ixpk= 1842, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1649,1650,
igr2=1051,1052,1053,
&end
#
# 67 ILE HA 67 ILE QG2 3.50 (# 1843:20 Unique 2.44, 3.07 A)
&rst
ixpk= 1843, nxpk= 20, iat=1047, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1051,1052,1053,
&end
#
# 69 ALA HA 67 ILE QG2 4.40 (# 1844:20 Unique 3.52, 4.64 A)
&rst
ixpk= 1844, nxpk= 20, iat=1085, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=1051,1052,1053,
&end
#
# 0 AMB 20-2:1845 67 ILE QG2 4.40 (# 1845:20 Single Ambig)
&rst
ixpk= 1845, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1647,1023,
igr2=1051,1052,1053,
&end
#
# 102 LEU HA 67 ILE QG2 4.40 (# 1846:20 Unique 3.91, 4.98 A)
&rst
ixpk= 1846, nxpk= 20, iat=1686, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=1051,1052,1053,
&end
#
# 51 TYR HE 67 ILE QG2 5.50 (# 1847:20 Unique 5.23, 8.00 A)
&rst
ixpk= 1847, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 775, 780,
igr2=1051,1052,1053,
&end
#
# 100 PHE HD 67 ILE QG2 2.60 (# 1848:20 Unique 1.99, 4.73 A)
&rst
ixpk= 1848, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1653,1661,
igr2=1051,1052,1053,
&end
#
# 69 ALA HN 67 ILE QG2 2.60 (# 1849:20 Unique 2.50, 3.57 A)
&rst
ixpk= 1849, nxpk= 20, iat=1083, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2=1051,1052,1053,
&end
#
# 101 LEU HN 67 ILE QG2 4.40 (# 1850:20 Unique 3.10, 4.21 A)
&rst
ixpk= 1850, nxpk= 20, iat=1665, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=1051,1052,1053,
&end
#
# 0 AMB 20-2:1851 67 ILE QG2 4.40 (# 1851:20 Single Ambig)
&rst
ixpk= 1851, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1045,1703,
igr2=1051,1052,1053,
&end
#
# 68 LEU HN 67 ILE QG2 3.50 (# 1852:20 Unique 2.33, 3.47 A)
&rst
ixpk= 1852, nxpk= 20, iat=1064, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1051,1052,1053,
&end
#
# 20 GLY HN 19 GLN HA 3.50 (# 1853:20 Unique 3.19, 3.33 A)
&rst
ixpk= 1853, nxpk= 20, iat= 299, 284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 19 GLN HE2+ 19 GLN HA 5.50 (# 1854:20 Unique 2.77, 3.43 A)
&rst
ixpk= 1854, nxpk= 20, iat= -1, 284, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 294, 295,
&end
#
# 68 LEU MDX 68 LEU HA 5.50 (# 1855:20 Unique 2.21, 4.00 A)
&rst
ixpk= 1855, nxpk= 20, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1073,1074,1075,1077,1078,1079,
&end
#
# 101 LEU MDY 68 LEU HA 5.50 (# 1856:20 Unique 4.66, 6.97 A)
&rst
ixpk= 1856, nxpk= 20, iat= -1,1066, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 0 AMB 20-2:1857 0 AMB 20-1:1857 4.40 (# 1857:20 Double Ambig)
&rst
ixpk= 1857, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.60, r4=10.35,
igr1=2443,2444,2445,2447,2448,2449,1823,1824,1825,
igr2=1189,1190,1191,1193,1194,1195,1729,1730,1731,1733,
1734,1735,
&end
#
# 0 AMB 20-2:1858 0 AMB 20-1:1858 2.60 (# 1858:20 Double Ambig)
&rst
ixpk= 1858, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.37, r4= 7.12,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,1674,1675,1676,1678,1679,1680,
igr2=1729,1730,1731,1733,1734,1735,1073,1074,1075,1077,
1078,1079,
&end
#
# 65 VAL MGY 104 LEU MDX 2.60 (# 1860:20 Unique 2.27, 6.63 A)
&rst
ixpk= 1860, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1011,1012,1013,1015,1016,1017,
igr2=1729,1730,1731,1733,1734,1735,
&end
#
# 0 AMB 20-2:1861 104 LEU MDX 2.60 (# 1861:20 Single Ambig)
&rst
ixpk= 1861, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1724,1725, 350, 351, 352,
igr2=1729,1730,1731,1733,1734,1735,
&end
#
# 0 AMB 20-2:1862 0 AMB 20-1:1862 3.50 (# 1862:20 Double Ambig)
&rst
ixpk= 1862, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1028,1029, 924,
igr2=1073,1074,1075,1077,1078,1079,1729,1730,1731,1733,
1734,1735,
&end
#
# 0 AMB 20-2:1863 0 AMB 20-1:1863 2.60 (# 1863:20 Double Ambig)
&rst
ixpk= 1863, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1=1724,1725,2356,1799,1800,
igr2=1729,1730,1731,1733,1734,1735,1189,1190,1191,1193,
1194,1195,
&end
#
# 0 AMB 20-2:1864 0 AMB 20-1:1864 3.50 (# 1864:20 Double Ambig)
&rst
ixpk= 1864, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1146,1147, 997, 998,
igr2=1189,1190,1191,1193,1194,1195,1729,1730,1731,1733,
1734,1735,
&end
#
# 0 AMB 20-2:1865 0 AMB 20-1:1865 4.40 (# 1865:20 Double Ambig)
&rst
ixpk= 1865, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1=2415, 940, 941,
igr2=1189,1190,1191,1193,1194,1195,1729,1730,1731,1733,
1734,1735,
&end
#
# 107 GLY HA- 104 LEU MDX 4.40 (# 1866:20 Unique 2.07, 4.90 A)
&rst
ixpk= 1866, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1768,1769,
igr2=1729,1730,1731,1733,1734,1735,
&end
#
# 105 VAL HA 0 AMB 20-1:1867 4.40 (# 1867:20 Single Ambig)
&rst
ixpk= 1867, nxpk= 20, iat=1741, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr2=1729,1730,1731,1733,1734,1735,1073,1074,1075,1077,
1078,1079,
&end
#
# 65 VAL HA 104 LEU MDX 5.50 (# 1869:20 Unique 3.22, 5.85 A)
&rst
ixpk= 1869, nxpk= 20, iat=1007, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1729,1730,1731,1733,1734,1735,
&end
#
# 99 TRP HD1 75 LEU MDY 3.50 (# 1870:20 Unique 2.00, 4.80 A)
&rst
ixpk= 1870, nxpk= 20, iat=1629, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 106 SER HN 104 LEU MDX 3.50 (# 1871:20 Unique 3.27, 5.07 A)
&rst
ixpk= 1871, nxpk= 20, iat=1755, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1729,1730,1731,1733,1734,1735,
&end
#
# 0 AMB 20-2:1872 104 LEU MDX 4.40 (# 1872:20 Single Ambig)
&rst
ixpk= 1872, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1773,1766,
igr2=1729,1730,1731,1733,1734,1735,
&end
#
# 105 VAL HN 104 LEU MDX 3.50 (# 1873:20 Unique 2.07, 4.71 A)
&rst
ixpk= 1873, nxpk= 20, iat=1739, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1729,1730,1731,1733,1734,1735,
&end
#
# 68 LEU HN 68 LEU HB- 5.50 (# 1876:20 Unique 2.64, 3.23 A)
&rst
ixpk= 1876, nxpk= 20, iat=1064, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1068,1069,
&end
#
# 69 ALA HN 68 LEU HB- 4.40 (# 1877:20 Unique 2.46, 3.30 A)
&rst
ixpk= 1877, nxpk= 20, iat=1083, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1068,1069,
&end
#
# 68 LEU HA 68 LEU HB- 3.50 (# 1878:20 Unique 2.30, 2.67 Acnoe_amber.rst)
&rst
ixpk= 1878, nxpk= 20, iat=1066, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1068,1069,
&end
#
# 0 AMB 20-2:1883 0 AMB 20-1:1883 5.50 (# 1883:20 Double Ambig)
&rst
ixpk= 1883, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1028,1029,1691,
igr2=1068,1069,1068,1069,
&end
#
# 68 LEU HA 68 LEU HB+ 4.40 (# 1884:20 Unique 2.30, 2.67 A)
&rst
ixpk= 1884, nxpk= 20, iat=1066, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1068,1069,
&end
#
# 68 LEU HN 68 LEU HB+ 5.50 (# 1885:20 Unique 2.64, 3.23 A)
&rst
ixpk= 1885, nxpk= 20, iat=1064, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1068,1069,
&end
#
# 0 AMB 20-2:1886 0 AMB 20-1:1886 4.40 (# 1886:20 Double Ambig)
&rst
ixpk= 1886, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.21, r4= 9.96,
igr1=2554,2555,2556,2558,2559,2560,1073,1074,1075,1077,
1078,1079,1669,1670,
igr2=1068,1069,1068,1069,1068,1069,
&end
#
# 0 AMB 20-2:1887 68 LEU HB- 5.50 (# 1887:20 Single Ambig)
&rst
ixpk= 1887, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.58, r4=10.33,
igr1=2554,2555,2556,2558,2559,2560,1073,1074,1075,1077,
1078,1079,1669,1670,
igr2=1068,1069,
&end
#
# 0 AMB 20-2:1888 0 AMB 20-1:1888 2.60 (# 1888:20 Double Ambig)
&rst
ixpk= 1888, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1674,1675,1676,1678,1679,1680,1071,
igr2=1068,1069,1068,1069,
&end
#
# 154 VAL MGY 68 LEU HB+ 3.50 (# 1889:20 Unique 2.00, 3.71 A)
&rst
ixpk= 1889, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2554,2555,2556,2558,2559,2560,
igr2=1068,1069,
&end
#
# 0 AMB 20-2:1890 68 LEU HB- 3.50 (# 1890:20 Single Ambig)
&rst
ixpk= 1890, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
igr1=1674,1675,1676,1678,1679,1680,1071,
igr2=1068,1069,
&end
#
# 68 LEU MDY 68 LEU HB- 3.50 (# 1891:20 Unique 2.10, 3.26 A)
&rst
ixpk= 1891, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1073,1074,1075,1077,1078,1079,
igr2=1068,1069,
&end
#
# 68 LEU MDY 68 LEU HG 2.60 (# 1892:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1892, nxpk= 20, iat= -1,1071, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1073,1074,1075,1077,1078,1079,
&end
#
# 68 LEU MDX 68 LEU HG 2.60 (# 1893:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1893, nxpk= 20, iat= -1,1071, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1073,1074,1075,1077,1078,1079,
&end
#
# 68 LEU HB- 68 LEU HG 2.60 (# 1894:20 Unique 2.40, 2.76 A)
&rst
ixpk= 1894, nxpk= 20, iat= -1,1071, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1068,1069,
&end
#
# 68 LEU HB+ 68 LEU HG 2.60 (# 1895:20 Unique 2.40, 2.76 A)
&rst
ixpk= 1895, nxpk= 20, iat= -1,1071, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1068,1069,
&end
#
# 66 ARG HG+ 68 LEU HG 2.60 (# 1896:20 Unique 2.97, 3.92 A)
&rst
ixpk= 1896, nxpk= 20, iat= -1,1071, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1028,1029,
&end
#
# 103 GLN HB+ 68 LEU HG 3.50 (# 1897:20 Unique 2.76, 3.55 A)
&rst
ixpk= 1897, nxpk= 20, iat= -1,1071, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1707,1708,
&end
#
# 103 GLN HB- 68 LEU HG 2.60 (# 1898:20 Unique 2.76, 3.55 A)
&rst
ixpk= 1898, nxpk= 20, iat= -1,1071, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1707,1708,
&end
#
# 103 GLN HG+ 68 LEU HG 5.50 (# 1899:20 Unique 4.99, 5.61 A)
&rst
ixpk= 1899, nxpk= 20, iat= -1,1071, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1710,1711,
&end
#
# 68 LEU HA 68 LEU HG 3.50 (# 1900:20 Unique 3.13, 3.25 A)
&rst
ixpk= 1900, nxpk= 20, iat=1066,1071, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 103 GLN HA 68 LEU HG 4.40 (# 1901:20 Unique 4.45, 4.69 A)
&rst
ixpk= 1901, nxpk= 20, iat=1705,1071, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 102 LEU HA 68 LEU HG 5.50 (# 1902:20 Unique 2.07, 2.44 A)
&rst
ixpk= 1902, nxpk= 20, iat=1686,1071, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 69 ALA HN 68 LEU HG 4.40 (# 1904:20 Unique 3.77, 3.95 A)
&rst
ixpk= 1904, nxpk= 20, iat=1083,1071, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 103 GLN HN 68 LEU HG 3.50 (# 1905:20 Unique 2.03, 2.39 A)
&rst
ixpk= 1905, nxpk= 20, iat=1703,1071, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 LEU HN 68 LEU HG 4.40 (# 1906:20 Unique 1.95, 2.36 A)
&rst
ixpk= 1906, nxpk= 20, iat=1064,1071, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 102 LEU HN 68 LEU HG 5.50 (# 1907:20 Unique 4.52, 4.98 A)
&rst
ixpk= 1907, nxpk= 20, iat=1684,1071, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 68 LEU HN 68 LEU MDY 3.50 (# 1908:20 Unique 3.40, 4.41 A)
&rst
ixpk= 1908, nxpk= 20, iat=1064, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1073,1074,1075,1077,1078,1079,
&end
#
# 103 GLN HN 68 LEU MDY 3.50 (# 1909:20 Unique 2.21, 3.75 A)
&rst
ixpk= 1909, nxpk= 20, iat=1703, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1073,1074,1075,1077,1078,1079,
&end
#
# 0 AMB 20-2:1910 68 LEU MDY 5.50 (# 1910:20 Single Ambig)
&rst
ixpk= 1910, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1021,1665,
igr2=1073,1074,1075,1077,1078,1079,
&end
#
# 69 ALA HN 68 LEU MDY 4.40 (# 1911:20 Unique 4.44, 5.51 A)
&rst
ixpk= 1911, nxpk= 20, iat=1083, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1073,1074,1075,1077,1078,1079,
&end
#
# 66 ARG HE 68 LEU MDY 5.50 (# 1912:20 Unique 4.29, 6.40 A)
&rst
ixpk= 1912, nxpk= 20, iat=1034, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1073,1074,1075,1077,1078,1079,
&end
#
# 103 GLN HE2- 68 LEU MDY 5.50 (# 1913:20 Unique 1.97, 5.74 A)
&rst
ixpk= 1913, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1715,1716,
igr2=1073,1074,1075,1077,1078,1079,
&end
#
# 102 LEU HA 68 LEU MDY 5.50 (# 1914:20 Unique 2.91, 4.54 A)
&rst
ixpk= 1914, nxpk= 20, iat=1686, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1073,1074,1075,1077,1078,1079,
&end
#
# 103 GLN HA 68 LEU MDY 5.50 (# 1915:20 Unique 3.07, 5.14 A)
&rst
ixpk= 1915, nxpk= 20, iat=1705, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1073,1074,1075,1077,1078,1079,
&end
#
# 68 LEU HA 68 LEU MDY 2.60 (# 1917:20 Unique 2.21, 4.00 A)
&rst
ixpk= 1917, nxpk= 20, iat=1066, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1073,1074,1075,1077,1078,1079,
&end
#
# 67 ILE HA 68 LEU MDY 4.40 (# 1918:20 Unique 3.88, 5.62 A)
&rst
ixpk= 1918, nxpk= 20, iat=1047, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1073,1074,1075,1077,1078,1079,
&end
#
# 66 ARG HD+ 68 LEU MDY 3.50 (# 1919:20 Unique 1.99, 4.89 Acnoe_amber.rst)
&rst
ixpk= 1919, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1031,1032,
igr2=1073,1074,1075,1077,1078,1079,
&end
#
# 68 LEU HB+ 68 LEU MDY 2.60 (# 1920:20 Unique 2.10, 3.26 A)
&rst
ixpk= 1920, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1068,1069,
igr2=1073,1074,1075,1077,1078,1079,
&end
#
# 68 LEU HB- 68 LEU MDY 2.60 (# 1921:20 Unique 2.10, 3.26 A)
&rst
ixpk= 1921, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1068,1069,
igr2=1073,1074,1075,1077,1078,1079,
&end
#
# 66 ARG HG+ 68 LEU MDY 2.60 (# 1922:20 Unique 1.96, 4.29 A)
&rst
ixpk= 1922, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1028,1029,
igr2=1073,1074,1075,1077,1078,1079,
&end
#
# 0 AMB 20-2:1925 69 ALA HA 3.50 (# 1925:20 Single Ambig)
&rst
ixpk= 1925, nxpk= 20, iat= -1,1085, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1051,1052,1053,1669,1670,
&end
#
# 69 ALA MB 69 ALA HA 2.60 (# 1926:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1926, nxpk= 20, iat= -1,1085, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr1=1087,1088,1089,
&end
#
# 151 PHE HD 69 ALA HA 4.40 (# 1927:20 Unique 4.17, 7.14 A)
&rst
ixpk= 1927, nxpk= 20, iat= -1,1085, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2515,2523,
&end
#
# 69 ALA HN 69 ALA HA 3.50 (# 1928:20 Unique 2.85, 2.89 A)
&rst
ixpk= 1928, nxpk= 20, iat=1083,1085, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 70 SER HN 69 ALA HA 2.60 (# 1929:20 Unique 2.22, 2.26 A)
&rst
ixpk= 1929, nxpk= 20, iat=1093,1085, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 68 LEU HN 69 ALA HA 5.50 (# 1930:20 Unique 4.50, 4.70 A)
&rst
ixpk= 1930, nxpk= 20, iat=1064,1085, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 101 LEU HB- 69 ALA MB 3.50 (# 1931:20 Unique 1.98, 4.28 A)
&rst
ixpk= 1931, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1669,1670,
igr2=1087,1088,1089,
&end
#
# 101 LEU MDY 69 ALA MB 2.60 (# 1932:20 Unique 2.18, 5.50 A)
&rst
ixpk= 1932, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=1674,1675,1676,1678,1679,1680,
igr2=1087,1088,1089,
&end
#
# 101 LEU MDX 69 ALA MB 2.60 (# 1933:20 Unique 2.18, 5.50 A)
&rst
ixpk= 1933, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=1674,1675,1676,1678,1679,1680,
igr2=1087,1088,1089,
&end
#
# 154 VAL MGY 69 ALA MB 2.60 (# 1934:20 Unique 1.97, 4.03 A)
&rst
ixpk= 1934, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=2554,2555,2556,2558,2559,2560,
igr2=1087,1088,1089,
&end
#
# 0 AMB 20-2:1935 69 ALA MB 2.60 (# 1935:20 Single Ambig)
&rst
ixpk= 1935, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=2554,2555,2556,2558,2559,2560,1669,1670,
igr2=1087,1088,1089,
&end
#
# 154 VAL HB 69 ALA MB 3.50 (# 1936:20 Unique 2.77, 4.73 A)
&rst
ixpk= 1936, nxpk= 20, iat=2552, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1087,1088,1089,
&end
#
# 151 PHE HB+ 69 ALA MB 4.40 (# 1937:20 Unique 3.22, 6.01 A)
&rst
ixpk= 1937, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=2511,2512,
igr2=1087,1088,1089,
&end
#
# 69 ALA HA 69 ALA MB 2.60 (# 1938:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1938, nxpk= 20, iat=1085, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2=1087,1088,1089,
&end
#
# 151 PHE HA 69 ALA MB 4.40 (# 1940:20 Unique 2.44, 3.68 A)
&rst
ixpk= 1940, nxpk= 20, iat=2509, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=1087,1088,1089,
&end
#
# 70 SER HA 69 ALA MB 4.40 (# 1941:20 Unique 4.07, 4.92 A)
&rst
ixpk= 1941, nxpk= 20, iat=1095, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=1087,1088,1089,
&end
#
# 151 PHE HD 69 ALA MB 2.60 (# 1942:20 Unique 1.97, 5.51 A)
&rst
ixpk= 1942, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2515,2523,
igr2=1087,1088,1089,
&end
#
# 69 ALA HN 69 ALA MB 3.50 (# 1943:20 Unique 2.75, 3.43 A)
&rst
ixpk= 1943, nxpk= 20, iat=1083, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1087,1088,1089,
&end
#
# 70 SER HN 69 ALA MB 2.60 (# 1944:20 Unique 2.55, 3.56 A)
&rst
ixpk= 1944, nxpk= 20, iat=1093, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2=1087,1088,1089,
&end
#
# 101 LEU HN 69 ALA MB 4.40 (# 1945:20 Unique 3.72, 5.14 A)
&rst
ixpk= 1945, nxpk= 20, iat=1665, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=1087,1088,1089,
&end
#
# 68 LEU HN 69 ALA MB 5.50 (# 1947:20 Unique 4.47, 5.36 A)
&rst
ixpk= 1947, nxpk= 20, iat=1064, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1087,1088,1089,
&end
#
# 71 THR HN 70 SER HA 3.50 (# 1948:20 Unique 2.32, 2.34 A)
&rst
ixpk= 1948, nxpk= 20, iat=1104,1095, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 101 LEU HN 70 SER HA 4.40 (# 1949:20 Unique 2.87, 3.04 A)
&rst
ixpk= 1949, nxpk= 20, iat=1665,1095, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 70 SER HN 70 SER HA 4.40 (# 1950:20 Unique 2.92, 2.92 A)
&rst
ixpk= 1950, nxpk= 20, iat=1093,1095, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 0 AMB 20-2:1951 70 SER HA 5.50 (# 1951:20 Single Ambig)
&rst
ixpk= 1951, nxpk= 20, iat= -1,1095, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1083,1621,
&end
#
# 151 PHE HD 70 SER HA 4.40 (# 1952:20 Unique 3.94, 5.44 A)
&rst
ixpk= 1952, nxpk= 20, iat= -1,1095, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2515,2523,
&end
#
# 69 ALA HA 70 SER HA 4.40 (# 1954:20 Unique 4.44, 4.45 A)
&rst
ixpk= 1954, nxpk= 20, iat=1085,1095, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 70 SER HB+ 70 SER HA 3.50 (# 1955:20 Unique 2.24, 2.48 A)
&rst
ixpk= 1955, nxpk= 20, iat= -1,1095, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1097,1098,
&end
#
# 70 SER HB- 70 SER HA 3.50 (# 1956:20 Unique 2.24, 2.48 A)
&rst
ixpk= 1956, nxpk= 20, iat= -1,1095, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1097,1098,
&end
#
# 0 AMB 20-2:1957 70 SER HA 4.40 (# 1957:20 Single Ambig)
&rst
ixpk= 1957, nxpk= 20, iat= -1,1095, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr1=1649,1650,2439,
&end
#
# 69 ALA MB 70 SER HA 4.40 (# 1958:20 Unique 4.07, 4.92 A)
&rst
ixpk= 1958, nxpk= 20, iat= -1,1095, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr1=1087,1088,1089,
&end
#
# 71 THR MG2 70 SER HA 4.40 (# 1959:20 Unique 3.46, 4.39 A)
&rst
ixpk= 1959, nxpk= 20, iat= -1,1095, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr1=1110,1111,1112,
&end
#
# 67 ILE QG2 70 SER HB- 5.50 (# 1960:20 Unique 2.76, 4.40 A)
&rst
ixpk= 1960, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1051,1052,1053,
igr2=1097,1098,
&end
#
# 0 AMB 20-2:1961 0 AMB 20-1:1961 4.40 (# 1961:20 Double Ambig)
&rst
ixpk= 1961, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
igr1=1669,1670,2554,2555,2556,2558,2559,2560, 162, 163,
164, 166, 167, 168,1189,1190,1191,1193,1194,1195,
igr2=1097,1098,1097,1098,1097,1098,1097,1098,
&end
#
# 0 AMB 20-2:1962 0 AMB 20-1:1962 3.50 (# 1962:20 Double Ambig)
&rst
ixpk= 1962, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1=1058,1059,1060,1609,1610,
igr2=1097,1098,1097,1098,
&end
#
# 70 SER HA 70 SER HB+ 3.50 (# 1964:20 Unique 2.24, 2.48 A)
&rst
ixpk= 1964, nxpk= 20, iat=1095, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1097,1098,
&end
#
# 70 SER HA 70 SER HB- 3.50 (# 1966:20 Unique 2.24, 2.48 A)
&rst
ixpk= 1966, nxpk= 20, iat=1095, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1097,1098,
&end
#
# 151 PHE HD 70 SER HB- 5.50 (# 1967:20 Unique 6.10, 7.69 A)
&rst
ixpk= 1967, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2515,2523,
igr2=1097,1098,
&end
#
# 100 PHE HD 70 SER HB- 4.40 (# 1968:20 Unique 2.68, 4.03 A)
&rst
ixpk= 1968, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1653,1661,
igr2=1097,1098,
&end
#
# 100 PHE HD 70 SER HB+ 3.50 (# 1969:20 Unique 2.68, 4.03 A)
&rst
ixpk= 1969, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1653,1661,
igr2=1097,1098,
&end
#
# 151 PHE HD 70 SER HB+ 5.50 (# 1970:20 Unique 6.10, 7.69 A)
&rst
ixpk= 1970, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2515,2523,
igr2=1097,1098,
&end
#
# 70 SER HN 70 SER HB+ 4.40 (# 1971:20 Unique 2.69, 3.61 A)
&rst
ixpk= 1971, nxpk= 20, iat=1093, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1097,1098,
&end
#
# 70 SER HN 70 SER HB- 5.50 (# 1972:20 Unique 2.69, 3.61 A)
&rst
ixpk= 1972, nxpk= 20, iat=1093, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1097,1098,
&end
#
# 71 THR HN 70 SER HB+ 3.50 (# 1973:20 Unique 2.59, 3.19 A)
&rst
ixpk= 1973, nxpk= 20, iat=1104, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1097,1098,
&end
#
# 71 THR HN 70 SER HB- 3.50 (# 1974:20 Unique 2.59, 3.19 A)
&rst
ixpk= 1974, nxpk= 20, iat=1104, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1097,1098,
&end
#
# 101 LEU HN 70 SER HB- 5.50 (# 1975:20 Unique 3.52, 4.32 A)
&rst
ixpk= 1975, nxpk= 20, iat=1665, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1097,1098,
&end
#
# 71 THR MG2 71 THR HA 2.60 (# 1976:20 Unique 2.32, 3.23 A)
&rst
ixpk= 1976, nxpk= 20, iat= -1,1106, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr1=1110,1111,1112,
&end
#
# 71 THR HB 71 THR HA 2.60 (# 1977:20 Unique 2.33, 2.36 A)
&rst
ixpk= 1977, nxpk= 20, iat=1108,1106, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 151 PHE HD 71 THR HA 5.50 (# 1979:20 Unique 5.33, 7.05 A)
&rst
ixpk= 1979, nxpk= 20, iat= -1,1106, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2515,2523,
&end
#
# 71 THR HN 71 THR HA 4.40 (# 1981:20 Unique 2.90, 2.90 A)
&rst
ixpk= 1981, nxpk= 20, iat=1104,1106, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 72 ARG HN 71 THR HA 2.60 (# 1982:20 Unique 2.14, 2.15 A)
&rst
ixpk= 1982, nxpk= 20, iat=1118,1106, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 72 ARG HN 71 THR HB 4.40 (# 1983:20 Unique 3.33, 3.37 A)
&rst
ixpk= 1983, nxpk= 20, iat=1118,1108, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 73 ASN HN 71 THR HB 4.40 (# 1986:20 Unique 2.77, 3.01 A)
&rst
ixpk= 1986, nxpk= 20, iat=1142,1108, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 73 ASN HD2- 71 THR HB 5.50 (# 1987:20 Unique 3.46, 5.53 A)
&rst
ixpk= 1987, nxpk= 20, iat= -1,1108, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1151,1152,
&end
#
# 71 THR HA 71 THR HB 2.60 (# 1989:20 Unique 2.33, 2.36 A)
&rst
ixpk= 1989, nxpk= 20, iat=1106,1108, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 71 THR MG2 71 THR HB 2.60 (# 1990:20 Unique 2.23, 2.64 A)
&rst
ixpk= 1990, nxpk= 20, iat= -1,1108, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr1=1110,1111,1112,
&end
#
# 147 VAL MGY 71 THR MG2 3.50 (# 1991:20 Unique 2.02, 4.95 A)
&rst
ixpk= 1991, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2443,2444,2445,2447,2448,2449,
igr2=1110,1111,1112,
&end
#
# 147 VAL MGX 71 THR MG2 3.50 (# 1992:20 Unique 2.02, 4.95 A)
&rst
ixpk= 1992, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2443,2444,2445,2447,2448,2449,
igr2=1110,1111,1112,
&end
#
# 150 GLU HB- 71 THR MG2 3.50 (# 1993:20 Unique 2.62, 4.21 A)
&rst
ixpk= 1993, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2496,2497,
igr2=1110,1111,1112,
&end
#
# 0 AMB 20-2:1994 71 THR MG2 3.50 (# 1994:20 Single Ambig)
&rst
ixpk= 1994, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2496,2497,1187,
igr2=1110,1111,1112,
&end
#
# 150 GLU HG- 71 THR MG2 4.40 (# 1995:20 Unique 3.19, 5.21 A)
&rst
ixpk= 1995, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=2499,2500,
igr2=1110,1111,1112,
&end
#
# 150 GLU HG+ 71 THR MG2 3.50 (# 1996:20 Unique 3.19, 5.21 A)
&rst
ixpk= 1996, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2499,2500,
igr2=1110,1111,1112,
&end
#
# 147 VAL HA 71 THR MG2 4.40 (# 1997:20 Unique 2.11, 3.43 A)
&rst
ixpk= 1997, nxpk= 20, iat=2439, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=1110,1111,1112,
&end
#
# 99 TRP HB- 71 THR MG2 3.50 (# 1998:20 Unique 1.97, 3.56 A)
&rst
ixpk= 1998, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1625,1626,
igr2=1110,1111,1112,
&end
#
# 99 TRP HB+ 71 THR MG2 3.50 (# 1999:20 Unique 1.97, 3.56 A)
&rst
ixpk= 1999, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1625,1626,
igr2=1110,1111,1112,
&end
#
# 71 THR HA 71 THR MG2 2.60 (# 2000:20 Unique 2.32, 3.23 A)
&rst
ixpk= 2000, nxpk= 20, iat=1106, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2=1110,1111,1112,
&end
#
# 71 THR HB 71 THR MG2 2.60 (# 2001:20 Unique 2.23, 2.64 A)
&rst
ixpk= 2001, nxpk= 20, iat=1108, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2=1110,1111,1112,
&end
#
# 70 SER HA 71 THR MG2 4.40 (# 2003:20 Unique 3.46, 4.39 A)
&rst
ixpk= 2003, nxpk= 20, iat=1095, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=1110,1111,1112,
&end
#
# 99 TRP HA 71 THR MG2 5.50 (# 2004:20 Unique 4.60, 5.70 A)
&rst
ixpk= 2004, nxpk= 20, iat=1623, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1110,1111,1112,
&end
#
# 151 PHE HD 71 THR MG2 4.40 (# 2005:20 Unique 3.87, 5.43 A)
&rst
ixpk= 2005, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=2515,2523,
igr2=1110,1111,1112,
&end
#
# 0 AMB 20-2:2007 71 THR MG2 3.50 (# 2007:20 Single Ambig)
&rst
ixpk= 2007, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1151,1152,1131,
igr2=1110,1111,1112,
&end
#
# 99 TRP HN 71 THR MG2 3.50 (# 2008:20 Unique 3.22, 4.61 A)
&rst
ixpk= 2008, nxpk= 20, iat=1621, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1110,1111,1112,
&end
#
# 0 AMB 20-2:2009 71 THR MG2 5.50 (# 2009:20 Single Ambig)
&rst
ixpk= 2009, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=2437,1093,2453,
igr2=1110,1111,1112,
&end
#
# 73 ASN HN 71 THR MG2 4.40 (# 2010:20 Unique 4.92, 5.47 A)
&rst
ixpk= 2010, nxpk= 20, iat=1142, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=1110,1111,1112,
&end
#
# 71 THR HN 71 THR MG2 3.50 (# 2011:20 Unique 2.02, 3.01 A)
&rst
ixpk= 2011, nxpk= 20, iat=1104, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1110,1111,1112,
&end
#
# 72 ARG HN 71 THR MG2 3.50 (# 2012:20 Unique 4.37, 5.13 A)
&rst
ixpk= 2012, nxpk= 20, iat=1118, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1110,1111,1112,
&end
#
# 99 TRP HE1 71 THR MG2 5.50 (# 2013:20 Unique 5.02, 6.37 A)
&rst
ixpk= 2013, nxpk= 20, iat=1631, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1110,1111,1112,
&end
#
# 72 ARG HN 72 ARG HA 3.50 (# 2015:20 Unique 2.84, 2.89 A)
&rst
ixpk= 2015, nxpk= 20, iat=1118,1120, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:2016 72 ARG HA 3.50 (# 2016:20 Single Ambig)
&rst
ixpk= 2016, nxpk= 20, iat= -1,1120, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1142,1156,
&end
#
# 73 ASN HA 72 ARG HA 5.50 (# 2017:20 Unique 4.51, 4.57 A)
&rst
ixpk= 2017, nxpk= 20, iat=1144,1120, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 72 ARG HD+ 72 ARG HA 4.40 (# 2019:20 Unique 3.92, 4.63 A)
&rst
ixpk= 2019, nxpk= 20, iat= -1,1120, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1128,1129,
&end
#
# 72 ARG HB+ 72 ARG HA 2.60 (# 2020:20 Unique 2.23, 2.71 A)
&rst
ixpk= 2020, nxpk= 20, iat= -1,1120, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1122,1123,
&end
#
# 72 ARG HG+ 72 ARG HA 2.60 (# 2021:20 Unique 2.38, 2.96 A)
&rst
ixpk= 2021, nxpk= 20, iat= -1,1120, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1125,1126,
&end
#
# 72 ARG HD+ 72 ARG HB+ 2.60 (# 2023:20 Unique 2.16, 2.96 A)
&rst
ixpk= 2023, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1128,1129,
igr2=1122,1123,
&end
#
# 72 ARG HA 72 ARG HB+ 2.60 (# 2024:20 Unique 2.23, 2.71 A)
&rst
ixpk= 2024, nxpk= 20, iat=1120, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1122,1123,
&end
#
# 0 AMB 20-2:2025 0 AMB 20-1:2025 2.60 (# 2025:20 Double Ambig)
&rst
ixpk= 2025, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2192,2216,
igr2=2194,2195,2320,2321,2194,2195,
&end
#
# 134 ARG HN 134 ARG HB+ 3.50 (# 2026:20 Unique 2.11, 2.78 A)
&rst
ixpk= 2026, nxpk= 20, iat=2190, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2194,2195,
&end
#
# 148 MET HN 148 MET HB+ 5.50 (# 2027:20 Unique 2.27, 3.03 A)
&rst
ixpk= 2027, nxpk= 20, iat=2453, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2457,2458,
&end
#
# 0 AMB 20-2:2028 0 AMB 20-1:2028 3.50 (# 2028:20 Double Ambig)
&rst
ixpk= 2028, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1142,2263,
igr2=1122,1123,2320,2321,
&end
#
# 72 ARG HN 72 ARG HB+ 2.60 (# 2029:20 Unique 2.14, 3.05 A)
&rst
ixpk= 2029, nxpk= 20, iat=1118, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1122,1123,
&end
#
# 72 ARG HN 72 ARG HG+ 3.50 (# 2030:20 Unique 1.99, 2.95 A)
&rst
ixpk= 2030, nxpk= 20, iat=1118, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1125,1126,
&end
#
# 0 AMB 20-2:2031 0 AMB 20-1:2031 5.50 (# 2031:20 Double Ambig)
&rst
ixpk= 2031, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1142,2263,
igr2=1125,1126,2323,2324,
&end
#
# 0 AMB 20-2:2032 0 AMB 20-1:2032 4.40 (# 2032:20 Double Ambig)
&rst
ixpk= 2032, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1151,1152,1131,
igr2=1125,1126,1125,1126,
&end
#
# 72 ARG HA 72 ARG HG- 2.60 (# 2033:20 Unique 2.38, 2.96 A)
&rst
ixpk= 2033, nxpk= 20, iat=1120, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1125,1126,
&end
#
# 0 AMB 20-2:2034 0 AMB 20-1:2034 2.60 (# 2034:20 Double Ambig)
&rst
ixpk= 2034, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1120,2267,2268,
igr2=1125,1126,2323,2324,
&end
#
# 72 ARG HD+ 72 ARG HG+ 2.60 (# 2035:20 Unique 2.26, 2.67 A)
&rst
ixpk= 2035, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1128,1129,
igr2=1125,1126,
&end
#
# 72 ARG HD+ 72 ARG HG- 2.60 (# 2036:20 Unique 2.26, 2.67 A)
&rst
ixpk= 2036, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1128,1129,
igr2=1125,1126,
&end
#
# 0 AMB 20-2:2037 0 AMB 20-1:2037 2.60 (# 2037:20 Double Ambig)
&rst
ixpk= 2037, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2320,2321,1122,1123,
igr2=2323,2324,1125,1126,
&end
#
# 0 AMB 20-2:2038 0 AMB 20-1:2038 2.60 (# 2038:20 Double Ambig)
&rst
ixpk= 2038, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=2194,2195,1122,1123,1049,
igr2=2197,2198,1125,1126,1055,1056,
&end
#
# 72 ARG HB+ 72 ARG HD+ 2.60 (# 2039:20 Unique 2.16, 2.96 A)
&rst
ixpk= 2039, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1122,1123,
igr2=1128,1129,
&end
#
# 0 AMB 20-2:2040 0 AMB 20-1:2040 2.60 (# 2040:20 Double Ambig)
&rst
ixpk= 2040, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2420,2421,1125,1126,
igr2=2423,2424,1128,1129,
&end
#
# 0 AMB 20-2:2041 0 AMB 20-1:2041 2.60 (# 2041:20 Double Ambig)
&rst
ixpk= 2041, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1125,1126,2396,2397,
igr2=1128,1129,2423,2424,
&end
#
# 0 AMB 20-2:2042 73 ASN HA 2.60 (# 2042:20 Single Ambig)
&rst
ixpk= 2042, nxpk= 20, iat= -1,1144, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1156,1142,
&end
#
# 73 ASN HD2- 73 ASN HA 5.50 (# 2043:20 Unique 2.93, 3.84 A)
&rst
ixpk= 2043, nxpk= 20, iat= -1,1144, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1151,1152,
&end
#
# 73 ASN HB+ 73 ASN HA 2.60 (# 2044:20 Unique 2.31, 2.70 A)
&rst
ixpk= 2044, nxpk= 20, iat= -1,1144, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1146,1147,
&end
#
# 73 ASN HB- 73 ASN HA 3.50 (# 2045:20 Unique 2.31, 2.70 A)
&rst
ixpk= 2045, nxpk= 20, iat= -1,1144, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1146,1147,
&end
#
# 72 ARG HB+ 73 ASN HB+ 5.50 (# 2046:20 Unique 4.22, 5.68 A)
&rst
ixpk= 2046, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1122,1123,
igr2=1146,1147,
&end
#
# 72 ARG HB+ 73 ASN HB- 4.40 (# 2047:20 Unique 4.22, 5.68 A)
&rst
ixpk= 2047, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1122,1123,
igr2=1146,1147,
&end
#
# 75 LEU MDY 73 ASN HB- 4.40 (# 2048:20 Unique 2.67, 5.48 A)
&rst
ixpk= 2048, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1189,1190,1191,1193,1194,1195,
igr2=1146,1147,
&end
#
# 73 ASN HA 73 ASN HB+ 2.60 (# 2049:20 Unique 2.31, 2.70 A)
&rst
ixpk= 2049, nxpk= 20, iat=1144, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1146,1147,
&end
#
# 73 ASN HA 73 ASN HB- 2.60 (# 2050:20 Unique 2.31, 2.70 A)
&rst
ixpk= 2050, nxpk= 20, iat=1144, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1146,1147,
&end
#
# 73 ASN HD2- 73 ASN HB+ 5.50 (# 2051:20 Unique 2.21, 3.39 A)
&rst
ixpk= 2051, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1151,1152,
igr2=1146,1147,
&end
#
# 73 ASN HD2- 73 ASN HB- 5.50 (# 2052:20 Unique 2.21, 3.39 A)
&rst
ixpk= 2052, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1151,1152,
igr2=1146,1147,
&end
#
# 73 ASN HD2+ 73 ASN HB- 3.50 (# 2053:20 Unique 2.21, 3.39 A)
&rst
ixpk= 2053, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1151,1152,
igr2=1146,1147,
&end
#
# 73 ASN HD2+ 73 ASN HB+ 4.40 (# 2054:20 Unique 2.21, 3.39 A)
&rst
ixpk= 2054, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1151,1152,
igr2=1146,1147,
&end
#
# 0 AMB 20-2:2055 0 AMB 20-1:2055 2.60 (# 2055:20 Double Ambig)
&rst
ixpk= 2055, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=1142,1156,
igr2=1146,1147,1146,1147,
&end
#
# 0 AMB 20-2:2056 73 ASN HB- 2.60 (# 2056:20 Single Ambig)
&rst
ixpk= 2056, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1142,1156,
igr2=1146,1147,
&end
#
# 94 GLY HN 7 TYR HA 5.50 (# 2057:20 Unique 3.26, 3.48 A)
&rst
ixpk= 2057, nxpk= 20, iat=1536, 85, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2058 0 AMB 20-1:2058 4.40 (# 2058:20 Double Ambig)
&rst
ixpk= 2058, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.37, r4= 8.12,
igr1= 27, 28, 29,1570,1571, 329, 330, 331, 333, 334,
335,
igr2= 85,2117,
&end
#
# 73 ASN HD2+ 73 ASN HB+ 4.40 (# 2059:20 Unique 2.21, 3.39 A)
&rst
ixpk= 2059, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1151,1152,
igr2=1146,1147,
&end
#
# 75 LEU MDX 74 TRP HA 3.50 (# 2060:20 Unique 3.37, 5.64 A)
&rst
ixpk= 2060, nxpk= 20, iat= -1,1158, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1189,1190,1191,1193,1194,1195,
&end
#
# 74 TRP HB+ 74 TRP HA 3.50 (# 2061:20 Unique 2.38, 2.74 A)
&rst
ixpk= 2061, nxpk= 20, iat= -1,1158, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1160,1161,
&end
#
# 0 AMB 20-2:2062 0 AMB 20-1:2062 3.50 (# 2062:20 Double Ambig)
&rst
ixpk= 2062, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1164,2134,
igr2=1158,2117,
&end
#
# 74 TRP HN 74 TRP HA 3.50 (# 2063:20 Unique 2.75, 2.84 A)
&rst
ixpk= 2063, nxpk= 20, iat=1156,1158, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 75 LEU HN 74 TRP HA 3.50 (# 2064:20 Unique 2.14, 2.17 A)
&rst
ixpk= 2064, nxpk= 20, iat=1180,1158, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 74 TRP HA 74 TRP HB+ 5.50 (# 2065:20 Unique 2.38, 2.74 A)
&rst
ixpk= 2065, nxpk= 20, iat=1158, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1160,1161,
&end
#
# 96 LYS HA 74 TRP HB+ 5.50 (# 2066:20 Unique 3.79, 4.84 A)
&rst
ixpk= 2066, nxpk= 20, iat=1562, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1160,1161,
&end
#
# 74 TRP HN 74 TRP HB+ 5.50 (# 2067:20 Unique 2.45, 3.07 A)
&rst
ixpk= 2067, nxpk= 20, iat=1156, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1160,1161,
&end
#
# 75 LEU HN 75 LEU HB+ 5.50 (# 2084:20 Unique 2.47, 3.16 A)
&rst
ixpk= 2084, nxpk= 20, iat=1180, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1184,1185,
&end
#
# 75 LEU HN 75 LEU HB- 5.50 (# 2085:20 Unique 2.47, 3.16 A)
&rst
ixpk= 2085, nxpk= 20, iat=1180, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1184,1185,
&end
#
# 0 AMB 20-2:2086 75 LEU HB- 4.40 (# 2086:20 Single Ambig)
&rst
ixpk= 2086, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1199,1223,
igr2=1184,1185,
&end
#
# 0 AMB 20-2:2087 0 AMB 20-1:2087 5.50 (# 2087:20 Double Ambig)
&rst
ixpk= 2087, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1199,1223,
igr2=1184,1185,1184,1185,
&end
#
# 0 AMB 20-2:2089 0 AMB 20-1:2089 2.60 (# 2089:20 Double Ambig)
&rst
ixpk= 2089, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1187,1586,1587,
igr2=1184,1185,1184,1185,
&end
#
# 0 AMB 20-2:2090 75 LEU HB- 2.60 (# 2090:20 Single Ambig)
&rst
ixpk= 2090, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1187,1586,1587,
igr2=1184,1185,
&end
#
# 75 LEU MDX 75 LEU HB+ 2.60 (# 2091:20 Unique 1.99, 3.28 A)
&rst
ixpk= 2091, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1189,1190,1191,1193,1194,1195,
igr2=1184,1185,
&end
#
# 75 LEU MDX 75 LEU HB- 2.60 (# 2092:20 Unique 1.99, 3.28 A)
&rst
ixpk= 2092, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1189,1190,1191,1193,1194,1195,
igr2=1184,1185,
&end
#
# 0 AMB 20-2:2093 75 LEU HG 2.60 (# 2093:20 Single Ambig)
&rst
ixpk= 2093, nxpk= 20, iat= -1,1187, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1189,1190,1191,1193,1194,1195,1189,1190,1191,1193,
1194,1195,
&end
#
# 0 AMB 20-2:2094 0 AMB 20-1:2094 3.50 (# 2094:20 Double Ambig)
&rst
ixpk= 2094, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=2480,2481,1125,1126,
igr2=2496,2497,2496,2497,
&end
#
# 147 VAL HA 75 LEU HG 5.50 (# 2095:20 Unique 4.21, 4.73 A)
&rst
ixpk= 2095, nxpk= 20, iat=2439,1187, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2097 75 LEU HG 5.50 (# 2097:20 Single Ambig)
&rst
ixpk= 2097, nxpk= 20, iat= -1,1187, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1199,1223,
&end
#
# 75 LEU HN 75 LEU HG 3.50 (# 2098:20 Unique 1.93, 2.20 A)
&rst
ixpk= 2098, nxpk= 20, iat=1180,1187, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 75 LEU HN 75 LEU MDX 3.50 (# 2099:20 Unique 2.44, 4.10 A)
&rst
ixpk= 2099, nxpk= 20, iat=1180, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 99 TRP HE1 75 LEU MDX 3.50 (# 2100:20 Unique 1.97, 5.14 A)
&rst
ixpk= 2100, nxpk= 20, iat=1631, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 76 ARG HN 75 LEU MDX 4.40 (# 2101:20 Unique 4.43, 6.14 A)
&rst
ixpk= 2101, nxpk= 20, iat=1199, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 0 AMB 20-2:2102 75 LEU MDX 4.40 (# 2102:20 Single Ambig)
&rst
ixpk= 2102, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1=1156,1142,2470,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 147 VAL HN 75 LEU MDX 4.40 (# 2103:20 Unique 2.52, 4.36 A)
&rst
ixpk= 2103, nxpk= 20, iat=2437, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 0 AMB 20-2:2104 75 LEU MDX 4.40 (# 2104:20 Single Ambig)
&rst
ixpk= 2104, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1621,2352,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 146 ARG HN 75 LEU MDX 4.40 (# 2105:20 Unique 3.72, 5.56 A)
&rst
ixpk= 2105, nxpk= 20, iat=2413, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 99 TRP HD1 75 LEU MDX 2.60 (# 2106:20 Unique 2.00, 4.80 A)
&rst
ixpk= 2106, nxpk= 20, iat=1629, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 0 AMB 20-2:2108 75 LEU MDX 3.50 (# 2108:20 Single Ambig)
&rst
ixpk= 2108, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1158,1108,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 71 THR HA 75 LEU MDX 5.50 (# 2109:20 Unique 5.77, 7.29 A)
&rst
ixpk= 2109, nxpk= 20, iat=1106, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 143 VAL HA 75 LEU MDX 4.40 (# 2110:20 Unique 2.12, 4.21 A)
&rst
ixpk= 2110, nxpk= 20, iat=2354, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 146 ARG HD+ 75 LEU MDX 3.50 (# 2111:20 Unique 3.97, 5.99 A)
&rst
ixpk= 2111, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2423,2424,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 0 AMB 20-2:2112 75 LEU MDX 5.50 (# 2112:20 Single Ambig)
&rst
ixpk= 2112, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1146,1147,1625,1626,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 147 VAL HA 75 LEU MDX 3.50 (# 2113:20 Unique 2.57, 4.70 A)
&rst
ixpk= 2113, nxpk= 20, iat=2439, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 0 AMB 20-2:2114 75 LEU MDX 4.40 (# 2114:20 Single Ambig)
&rst
ixpk= 2114, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1=1586,1587,2499,2500,1589,1590,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 143 VAL HB 75 LEU MDX 4.40 (# 2115:20 Unique 2.61, 5.45 A)
&rst
ixpk= 2115, nxpk= 20, iat=2356, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 0 AMB 20-2:2116 75 LEU MDX 2.60 (# 2116:20 Single Ambig)
&rst
ixpk= 2116, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=2417,2418,1187,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 75 LEU HB- 75 LEU MDX 2.60 (# 2117:20 Unique 1.99, 3.28 A)
&rst
ixpk= 2117, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1184,1185,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 147 VAL MGX 75 LEU MDX 4.40 (# 2118:20 Unique 1.93, 5.77 A)
&rst
ixpk= 2118, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1=2443,2444,2445,2447,2448,2449,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 147 VAL MGY 75 LEU MDX 2.60 (# 2119:20 Unique 1.93, 5.77 A)
&rst
ixpk= 2119, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2443,2444,2445,2447,2448,2449,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 147 VAL MGY 75 LEU MDY 2.60 (# 2120:20 Unique 1.93, 5.77 A)
&rst
ixpk= 2120, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2443,2444,2445,2447,2448,2449,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 75 LEU HB- 75 LEU MDY 2.60 (# 2121:20 Unique 1.99, 3.28 A)
&rst
ixpk= 2121, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1184,1185,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 0 AMB 20-2:2122 75 LEU MDY 2.60 (# 2122:20 Single Ambig)
&rst
ixpk= 2122, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=2417,2418,1187,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 147 VAL HA 75 LEU MDY 4.40 (# 2123:20 Unique 2.57, 4.70 A)
&rst
ixpk= 2123, nxpk= 20, iat=2439, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 146 ARG HD+ 75 LEU MDY 3.50 (# 2124:20 Unique 3.97, 5.99 A)
&rst
ixpk= 2124, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2423,2424,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 143 VAL HA 75 LEU MDY 4.40 (# 2125:20 Unique 2.12, 4.21 A)
&rst
ixpk= 2125, nxpk= 20, iat=2354, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 0 AMB 20-2:2126 75 LEU MDY 4.40 (# 2126:20 Single Ambig)
&rst
ixpk= 2126, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1158,1108,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 147 VAL HN 75 LEU MDY 4.40 (# 2127:20 Unique 2.52, 4.36 A)
&rst
ixpk= 2127, nxpk= 20, iat=2437, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 0 AMB 20-2:2128 0 AMB 20-1:2128 5.50 (# 2128:20 Double Ambig)
&rst
ixpk= 2128, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1621,1083,2352,
igr2=1189,1190,1191,1193,1194,1195,1073,1074,1075,1077,
1078,1079,
&end
#
# 75 LEU HN 75 LEU MDY 4.40 (# 2129:20 Unique 2.44, 4.10 A)
&rst
ixpk= 2129, nxpk= 20, iat=1180, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 99 TRP HE1 75 LEU MDY 5.50 (# 2130:20 Unique 1.97, 5.14 A)
&rst
ixpk= 2130, nxpk= 20, iat=1631, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 76 ARG HG+ 76 ARG HA 5.50 (# 2131:20 Unique 2.35, 3.74 A)
&rst
ixpk= 2131, nxpk= 20, iat= -1,1201, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1206,1207,
&end
#
# 76 ARG HN 76 ARG HA 3.50 (# 2132:20 Unique 2.91, 2.94 A)
&rst
ixpk= 2132, nxpk= 20, iat=1199,1201, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 84 VAL MGX 84 VAL HB 2.60 (# 2133:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2133, nxpk= 20, iat= -1,1368, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1370,1371,1372,1374,1375,1376,
&end
#
# 0 AMB 20-2:2134 0 AMB 20-1:2134 2.60 (# 2134:20 Double Ambig)
&rst
ixpk= 2134, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
igr1=1567,1568,1567,1568,1370,1371,1372,1374,1375,1376,
igr2=1203,1204,1203,1204,1368,
&end
#
# 0 AMB 20-2:2135 76 ARG HB- 5.50 (# 2135:20 Single Ambig)
&rst
ixpk= 2135, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1206,1207,1570,1571,
igr2=1203,1204,
&end
#
# 0 AMB 20-2:2137 0 AMB 20-1:2137 2.60 (# 2137:20 Double Ambig)
&rst
ixpk= 2137, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1206,1207,2218,2219,
igr2=1203,1204,2221,2222,
&end
#
# 0 AMB 20-2:2138 0 AMB 20-1:2138 2.60 (# 2138:20 Double Ambig)
&rst
ixpk= 2138, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=1206,1207,2218,2219,
igr2=1203,1204,2167,2168,2221,2222,
&end
#
# 135 GLN HB+ 135 GLN HG+ 3.50 (# 2139:20 Unique 2.32, 2.55 A)
&rst
ixpk= 2139, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2218,2219,
igr2=2221,2222,
&end
#
# 0 AMB 20-2:2140 0 AMB 20-1:2140 3.50 (# 2140:20 Double Ambig)
&rst
ixpk= 2140, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=2218,2219,2218,2219,
igr2=2167,2168,2221,2222,
&end
#
# 0 AMB 20-2:2141 0 AMB 20-1:2141 3.50 (# 2141:20 Double Ambig)
&rst
ixpk= 2141, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1209,1210,2170,
igr2=1203,1204,2221,2222,2167,2168,
&end
#
# 0 AMB 20-2:2142 0 AMB 20-1:2142 5.50 (# 2142:20 Double Ambig)
&rst
ixpk= 2142, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1209,1210,2170,
igr2=1203,1204,2221,2222,
&end
#
# 0 AMB 20-2:2143 0 AMB 20-1:2143 4.40 (# 2143:20 Double Ambig)
&rst
ixpk= 2143, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=1366, 514, 515,
igr2=1368,2221,2222,
&end
#
# 81 LYS HA 84 VAL HB 4.40 (# 2144:20 Unique 2.08, 2.33 A)
&rst
ixpk= 2144, nxpk= 20, iat=1301,1368, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 0 AMB 20-2:2145 0 AMB 20-1:2145 5.50 (# 2145:20 Double Ambig)
&rst
ixpk= 2145, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2216,2192,
igr2=2221,2222,2221,2222,
&end
#
# 0 AMB 20-2:2146 0 AMB 20-1:2146 5.50 (# 2146:20 Double Ambig)
&rst
ixpk= 2146, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2216,2192,
igr2=2221,2222,2167,2168,
&end
#
# 0 AMB 20-2:2147 0 AMB 20-1:2147 2.60 (# 2147:20 Double Ambig)
&rst
ixpk= 2147, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2214,1364,
igr2=2221,2222,1368,
&end
#
# 135 GLN HN 0 AMB 20-1:2148 3.50 (# 2148:20 Single Ambig)
&rst
ixpk= 2148, nxpk= 20, iat=2214, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2=2221,2222,2167,2168,
&end
#
# 135 GLN HE2- 135 GLN HG+ 4.40 (# 2149:20 Unique 2.13, 3.19 A)
&rst
ixpk= 2149, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2226,2227,
igr2=2221,2222,
&end
#
# 0 AMB 20-2:2150 0 AMB 20-1:2150 4.40 (# 2150:20 Double Ambig)
&rst
ixpk= 2150, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.98, r4= 7.73,
igr1=2226,2227,2376,2385,
igr2=2221,2222,2167,2168,
&end
#
# 86 TRP HZ2 84 VAL HB 4.60 (# 2151:20 Unique 2.41, 2.47 A)
&rst
ixpk= 2151, nxpk= 20, iat=1417,1368, r1= 0.00, r2= 1.80, r3= 4.60, r4= 5.35, &end
#
# 0 AMB 20-2:2152 0 AMB 20-1:2152 4.40 (# 2152:20 Double Ambig)
&rst
ixpk= 2152, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1199,1223,
igr2=1203,1204,1203,1204,
&end
#
# 0 AMB 20-2:2153 76 ARG HB- 4.40 (# 2153:20 Single Ambig)
&rst
ixpk= 2153, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1199,1223,
igr2=1203,1204,
&end
#
# 86 TRP HE1 84 VAL HB 4.40 (# 2154:20 Unique 3.07, 3.18 A)
&rst
ixpk= 2154, nxpk= 20, iat=1414,1368, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 24 TRP HZ2 135 GLN HB- 5.50 (# 2155:20 Unique 4.48, 8.71 A)
&rst
ixpk= 2155, nxpk= 20, iat= 369, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2218,2219,
&end
#
# 76 ARG HN 76 ARG HD+ 4.40 (# 2158:20 Unique 3.55, 4.36 A)
&rst
ixpk= 2158, nxpk= 20, iat=1199, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1209,1210,
&end
#
# 77 TYR HN 76 ARG HD- 5.50 (# 2159:20 Unique 1.88, 4.11 A)
&rst
ixpk= 2159, nxpk= 20, iat=1223, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1209,1210,
&end
#
# 7 TYR HD 76 ARG HD+ 5.50 (# 2160:20 Unique 4.08, 7.15 A)
&rst
ixpk= 2160, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 91, 100,
igr2=1209,1210,
&end
#
# 7 TYR HE 76 ARG HD- 5.50 (# 2161:20 Unique 2.49, 6.13 A)
&rst
ixpk= 2161, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 93, 98,
igr2=1209,1210,
&end
#
# 76 ARG HA 76 ARG HD- 5.50 (# 2162:20 Unique 2.37, 4.35 A)
&rst
ixpk= 2162, nxpk= 20, iat=1201, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1209,1210,
&end
#
# 76 ARG HB+ 76 ARG HD+ 3.50 (# 2163:20 Unique 2.00, 3.06 A)
&rst
ixpk= 2163, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1203,1204,
igr2=1209,1210,
&end
#
# 76 ARG HB+ 76 ARG HD- 4.40 (# 2164:20 Unique 2.00, 3.06 A)
&rst
ixpk= 2164, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1203,1204,
igr2=1209,1210,
&end
#
# 76 ARG HB- 76 ARG HD- 3.50 (# 2165:20 Unique 2.00, 3.06 A)
&rst
ixpk= 2165, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1203,1204,
igr2=1209,1210,
&end
#
# 0 AMB 20-2:2166 0 AMB 20-1:2166 2.60 (# 2166:20 Double Ambig)
&rst
ixpk= 2166, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1203,1204,1251,1252,
igr2=1209,1210,1209,1210,
&end
#
# 0 AMB 20-2:2167 0 AMB 20-1:2167 3.50 (# 2167:20 Double Ambig)
&rst
ixpk= 2167, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1206,1207,1570,1571,
igr2=1209,1210,1209,1210,
&end
#
# 0 AMB 20-2:2168 76 ARG HD- 3.50 (# 2168:20 Single Ambig)
&rst
ixpk= 2168, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1206,1207,1570,1571,
igr2=1209,1210,
&end
#
# 76 ARG HG+ 76 ARG HD- 3.50 (# 2169:20 Unique 2.22, 2.71 A)
&rst
ixpk= 2169, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1206,1207,
igr2=1209,1210,
&end
#
# 143 VAL MGY 77 TYR HA 4.40 (# 2170:20 Unique 6.16, 8.80 A)
&rst
ixpk= 2170, nxpk= 20, iat= -1,1225, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=2358,2359,2360,2362,2363,2364,
&end
#
# 78 LYS HD+ 77 TYR HA 4.40 (# 2171:20 Unique 2.60, 3.89 A)
&rst
ixpk= 2171, nxpk= 20, iat= -1,1225, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1254,1255,
&end
#
# 77 TYR HB- 77 TYR HA 2.60 (# 2172:20 Unique 2.38, 2.47 A)
&rst
ixpk= 2172, nxpk= 20, iat= -1,1225, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1227,1228,
&end
#
# 0 AMB 20-2:2173 77 TYR HA 2.60 (# 2173:20 Single Ambig)
&rst
ixpk= 2173, nxpk= 20, iat= -1,1225, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1227,1228,1227,1228,
&end
#
# 77 TYR HE 77 TYR HA 5.50 (# 2175:20 Unique 4.33, 6.28 A)
&rst
ixpk= 2175, nxpk= 20, iat= -1,1225, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1233,1238,
&end
#
# 0 AMB 20-2:2176 77 TYR HA 2.60 (# 2176:20 Single Ambig)
&rst
ixpk= 2176, nxpk= 20, iat= -1,1225, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1244,1223,
&end
#
# 0 AMB 20-2:2177 77 TYR HB- 5.50 (# 2177:20 Single Ambig)
&rst
ixpk= 2177, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=2358,2359,2360,2362,2363,2364,1189,1190,1191,1193,
1194,1195,
igr2=1227,1228,
&end
#
# 0 AMB 20-2:2178 0 AMB 20-1:2178 5.50 (# 2178:20 Double Ambig)
&rst
ixpk= 2178, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1550,1551,1209,1210,
igr2=1227,1228,1227,1228,
&end
#
# 77 TYR HA 77 TYR HB+ 3.50 (# 2179:20 Unique 2.38, 2.47 A)
&rst
ixpk= 2179, nxpk= 20, iat=1225, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1227,1228,
&end
#
# 77 TYR HA 77 TYR HB- 3.50 (# 2180:20 Unique 2.38, 2.47 A)
&rst
ixpk= 2180, nxpk= 20, iat=1225, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1227,1228,
&end
#
# 77 TYR HE 77 TYR HB- 4.40 (# 2181:20 Unique 4.62, 5.05 A)
&rst
ixpk= 2181, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1233,1238,
igr2=1227,1228,
&end
#
# 0 AMB 20-2:2184 77 TYR HB- 3.50 (# 2184:20 Single Ambig)
&rst
ixpk= 2184, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1244,1223,
igr2=1227,1228,
&end
#
# 78 LYS HN 77 TYR HB+ 3.50 (# 2185:20 Unique 2.07, 3.42 A)
&rst
ixpk= 2185, nxpk= 20, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1227,1228,
&end
#
# 0 AMB 20-2:2186 0 AMB 20-1:2186 5.50 (# 2186:20 Double Ambig)
&rst
ixpk= 2186, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1634,2274,
igr2=1227,1228,1227,1228,
&end
#
# 94 GLY HA- 77 TYR HB+ 5.50 (# 2187:20 Unique 4.75, 8.18 A)
&rst
ixpk= 2187, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1538,1539,
igr2=1227,1228,
&end
#
# 0 AMB 20-2:2188 0 AMB 20-1:2188 5.50 (# 2188:20 Double Ambig)
&rst
ixpk= 2188, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=2358,2359,2360,2362,2363,2364,1189,1190,1191,1193,
1194,1195,
igr2=1227,1228,1227,1228,
&end
#
# 78 LYS HN 78 LYS HA 3.50 (# 2190:20 Unique 2.90, 2.93 A)
&rst
ixpk= 2190, nxpk= 20, iat=1244,1246, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 78 LYS HB+ 78 LYS HA 5.50 (# 2191:20 Unique 2.35, 2.71 A)
&rst
ixpk= 2191, nxpk= 20, iat= -1,1246, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1248,1249,
&end
#
# 78 LYS HG+ 78 LYS HA 5.50 (# 2192:20 Unique 2.44, 3.02 A)
&rst
ixpk= 2192, nxpk= 20, iat= -1,1246, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1251,1252,
&end
#
# 0 AMB 20-2:2193 78 LYS HA 3.50 (# 2193:20 Single Ambig)
&rst
ixpk= 2193, nxpk= 20, iat= -1,1246, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1248,1249,1254,1255,
&end
#
# 78 LYS HG- 78 LYS HA 5.50 (# 2194:20 Unique 2.44, 3.02 A)
&rst
ixpk= 2194, nxpk= 20, iat= -1,1246, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1251,1252,
&end
#
# 0 AMB 20-2:2195 0 AMB 20-1:2195 5.50 (# 2195:20 Double Ambig)
&rst
ixpk= 2195, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.41, r4=11.16,
igr1=1275,1276,1277,1279,1280,1281,1745,1746,1747,1749,
1750,1751, 227, 228, 229, 224, 225,1693,1694,1695,
1697,1698,1699,
igr2=1246,1722,
&end
#
# 66 ARG HG- 66 ARG HB+ 2.60 (# 2196:20 Unique 2.26, 2.61 A)
&rst
ixpk= 2196, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1028,1029,
igr2=1025,1026,
&end
#
# 78 LYS HG- 78 LYS HB+ 3.50 (# 2197:20 Unique 2.21, 2.65 A)
&rst
ixpk= 2197, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1251,1252,
igr2=1248,1249,
&end
#
# 78 LYS HG+ 78 LYS HB+ 2.60 (# 2198:20 Unique 2.21, 2.65 A)
&rst
ixpk= 2198, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1251,1252,
igr2=1248,1249,
&end
#
# 0 AMB 20-2:2199 0 AMB 20-1:2199 2.60 (# 2199:20 Double Ambig)
&rst
ixpk= 2199, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1251,1252,2026,2027,
igr2=1248,1249,2023,2024,
&end
#
# 78 LYS HE+ 78 LYS HB- 4.40 (# 2201:20 Unique 2.29, 3.75 A)
&rst
ixpk= 2201, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1257,1258,
igr2=1248,1249,
&end
#
# 0 AMB 20-2:2202 0 AMB 20-1:2202 5.50 (# 2202:20 Double Ambig)
&rst
ixpk= 2202, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=2098,2099, 237, 238,2119,2120,
igr2= 313, 314, 313, 314, 313, 314,
&end
#
# 90 PRO HD+ 90 PRO HB- 3.50 (# 2203:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2203, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1477,1478,
igr2=1483,1484,
&end
#
# 0 AMB 20-2:2204 0 AMB 20-1:2204 2.60 (# 2204:20 Double Ambig)
&rst
ixpk= 2204, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=1486,1246,
igr2=1483,1484,1248,1249,
&end
#
# 78 LYS HA 78 LYS HB- 2.60 (# 2205:20 Unique 2.35, 2.71 A)
&rst
ixpk= 2205, nxpk= 20, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1248,1249,
&end
#
# 77 TYR HA 78 LYS HB+ 5.50 (# 2206:20 Unique 4.64, 5.21 A)
&rst
ixpk= 2206, nxpk= 20, iat=1225, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1248,1249,
&end
#
# 77 TYR HA 78 LYS HB- 5.50 (# 2207:20 Unique 4.64, 5.21 A)
&rst
ixpk= 2207, nxpk= 20, iat=1225, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1248,1249,
&end
#
# 79 LEU HN 78 LYS HB+ 5.50 (# 2208:20 Unique 2.82, 3.45 A)
&rst
ixpk= 2208, nxpk= 20, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1248,1249,
&end
#
# 79 LEU HN 78 LYS HB- 3.50 (# 2209:20 Unique 2.82, 3.45 A)
&rst
ixpk= 2209, nxpk= 20, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1248,1249,
&end
#
# 126 TRP HN 125 ARG HB- 4.40 (# 2210:20 Unique 3.14, 4.05 A)
&rst
ixpk= 2210, nxpk= 20, iat=2043, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2023,2024,
&end
#
# 78 LYS HN 78 LYS HB- 3.50 (# 2211:20 Unique 2.56, 3.17 A)
&rst
ixpk= 2211, nxpk= 20, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1248,1249,
&end
#
# 78 LYS HN 78 LYS HB+ 3.50 (# 2212:20 Unique 2.56, 3.17 A)
&rst
ixpk= 2212, nxpk= 20, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1248,1249,
&end
#
# 78 LYS HN 78 LYS HG+ 5.50 (# 2215:20 Unique 2.08, 3.45 A)
&rst
ixpk= 2215, nxpk= 20, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1251,1252,
&end
#
# 0 AMB 20-2:2217 0 AMB 20-1:2217 5.50 (# 2217:20 Double Ambig)
&rst
ixpk= 2217, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 786,1266,1995, 748,
igr2= 793, 794,1251,1252,2026,2027,
&end
#
# 60 LEU HN 54 LEU HG 5.50 (# 2218:20 Unique 2.45, 2.97 A)
&rst
ixpk= 2218, nxpk= 20, iat= 917, 832, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2219 0 AMB 20-1:2219 4.40 (# 2219:20 Double Ambig)
&rst
ixpk= 2219, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.63, r4= 9.38,
igr1= 189, 190, 926, 927, 928, 930, 931, 932, 926, 927,
928, 930, 931, 932, 192, 193, 194,1527,1528,
igr2= 832,1251,1252,
&end
#
# 78 LYS HB+ 78 LYS HG+ 2.60 (# 2220:20 Unique 2.21, 2.65 A)
&rst
ixpk= 2220, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1248,1249,
igr2=1251,1252,
&end
#
# 78 LYS HA 78 LYS HG+ 4.40 (# 2221:20 Unique 2.44, 3.02 A)
&rst
ixpk= 2221, nxpk= 20, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1251,1252,
&end
#
# 19 GLN HE2+ 18 ARG HB- 5.50 (# 2223:20 Unique 1.98, 3.35 A)
&rst
ixpk= 2223, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 294, 295,
igr2= 262, 263,
&end
#
# 159 GLN HE2- 18 ARG HB- 5.50 (# 2224:20 Unique 8.06, 9.22 A)
&rst
ixpk= 2224, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2639,2640,
igr2= 262, 263,
&end
#
# 78 LYS HA 78 LYS HD+ 3.50 (# 2225:20 Unique 2.57, 4.23 A)
&rst
ixpk= 2225, nxpk= 20, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1254,1255,
&end
#
# 0 AMB 20-2:2227 0 AMB 20-1:2227 2.60 (# 2227:20 Double Ambig)
&rst
ixpk= 2227, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1251,1252, 265, 266,
igr2=1254,1255, 262, 263,
&end
#
# 0 AMB 20-2:2228 0 AMB 20-1:2228 4.40 (# 2228:20 Double Ambig)
&rst
ixpk= 2228, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.66, r4=10.41,
igr1=2617,2618,2619,2621,2622,2623,1370,1371,1372,1374,
1375,1376,1527,1528,
igr2= 262, 263,1384,1385,1309,1310,1254,1255,
&end
#
# 0 AMB 20-2:2229 0 AMB 20-1:2229 4.40 (# 2229:20 Double Ambig)
&rst
ixpk= 2229, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.60, r4=10.35,
igr1=1496,1497,1498,1500,1501,1502,1189,1190,1191,1193,
1194,1195,2180,2181,2182,2184,2185,2186,
igr2=1467,1468,2483,2484,2483,2484,
&end
#
# 0 AMB 20-2:2230 0 AMB 20-1:2230 2.60 (# 2230:20 Double Ambig)
&rst
ixpk= 2230, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1=2477,2478,1251,1252, 793, 794,1464,1465,2711,2712,
igr2=2483,2484,1257,1258, 796, 797,1467,1468,2714,2715,
&end
#
# 0 AMB 20-2:2231 0 AMB 20-1:2231 2.60 (# 2231:20 Double Ambig)
&rst
ixpk= 2231, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1= 790, 791,2477,2478,2705,2706, 793, 794,2480,2481,
igr2= 796, 797,2483,2484,2714,2715, 796, 797,2483,2484,
&end
#
# 0 AMB 20-2:2232 0 AMB 20-1:2232 2.60 (# 2232:20 Double Ambig)
&rst
ixpk= 2232, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1= 790, 791,2474,2475,
igr2= 796, 797,2483,2484,
&end
#
# 0 AMB 20-2:2233 0 AMB 20-1:2233 4.40 (# 2233:20 Double Ambig)
&rst
ixpk= 2233, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2415,1538,1539,
igr2=2483,2484,1257,1258,
&end
#
# 79 LEU HN 79 LEU HA 4.40 (# 2235:20 Unique 2.91, 2.93 A)
&rst
ixpk= 2235, nxpk= 20, iat=1266,1268, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 0 AMB 20-2:2237 79 LEU HA 5.50 (# 2237:20 Single Ambig)
&rst
ixpk= 2237, nxpk= 20, iat= -1,1268, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1555,1556,2282,2290,
&end
#
# 80 PRO HD+ 79 LEU HA 2.60 (# 2238:20 Unique 2.25, 2.29 A)
&rst
ixpk= 2238, nxpk= 20, iat= -1,1268, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1286,1287,
&end
#
# 80 PRO HD- 79 LEU HA 3.50 (# 2239:20 Unique 2.25, 2.29 A)
&rst
ixpk= 2239, nxpk= 20, iat= -1,1268, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1286,1287,
&end
#
# 80 PRO HB+ 79 LEU HA 5.50 (# 2240:20 Unique 4.83, 5.19 A)
&rst
ixpk= 2240, nxpk= 20, iat= -1,1268, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1292,1293,
&end
#
# 80 PRO HG+ 79 LEU HA 5.50 (# 2241:20 Unique 4.39, 4.43 A)
&rst
ixpk= 2241, nxpk= 20, iat= -1,1268, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1289,1290,
&end
#
# 0 AMB 20-2:2242 79 LEU HA 4.40 (# 2242:20 Single Ambig)
&rst
ixpk= 2242, nxpk= 20, iat= -1,1268, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1248,1249,1292,1293,1254,1255,
&end
#
# 79 LEU HG 79 LEU HA 4.40 (# 2243:20 Unique 3.45, 3.58 A)
&rst
ixpk= 2243, nxpk= 20, iat=1273,1268, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 79 LEU HB+ 79 LEU HA 3.50 (# 2244:20 Unique 2.23, 2.46 A)
&rst
ixpk= 2244, nxpk= 20, iat= -1,1268, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1270,1271,
&end
#
# 0 AMB 20-2:2245 79 LEU HA 3.50 (# 2245:20 Single Ambig)
&rst
ixpk= 2245, nxpk= 20, iat= -1,1268, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1354,1355,1356,1358,1359,1360,1354,1355,1356,1358,
1359,1360,1275,1276,1277,1279,1280,1281,
&end
#
# 79 LEU MDX 79 LEU HA 4.40 (# 2246:20 Unique 3.42, 4.71 A)
&rst
ixpk= 2246, nxpk= 20, iat= -1,1268, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1275,1276,1277,1279,1280,1281,
&end
#
# 79 LEU MDX 79 LEU HB+ 3.50 (# 2247:20 Unique 1.96, 3.26 A)
&rst
ixpk= 2247, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1275,1276,1277,1279,1280,1281,
igr2=1270,1271,
&end
#
# 79 LEU MDX 79 LEU HB- 2.60 (# 2248:20 Unique 1.96, 3.26 A)
&rst
ixpk= 2248, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1275,1276,1277,1279,1280,1281,
igr2=1270,1271,
&end
#
# 0 AMB 20-2:2249 0 AMB 20-1:2249 2.60 (# 2249:20 Double Ambig)
&rst
ixpk= 2249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1=1275,1276,1277,1279,1280,1281,1354,1355,1356,1358,
1359,1360,1354,1355,1356,1358,1359,1360,1370,1371,
1372,1374,1375,1376,
igr2=1270,1271,1270,1271,1270,1271,1270,1271,
&end
#
# 0 AMB 20-2:2250 79 LEU HB- 2.60 (# 2250:20 Single Ambig)
&rst
ixpk= 2250, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1275,1276,1277,1279,1280,1281,1354,1355,1356,1358,
1359,1360,1354,1355,1356,1358,1359,1360,
igr2=1270,1271,
&end
#
# 79 LEU HG 79 LEU HB+ 3.50 (# 2251:20 Unique 2.41, 2.76 A)
&rst
ixpk= 2251, nxpk= 20, iat=1273, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1270,1271,
&end
#
# 79 LEU HG 79 LEU HB- 3.50 (# 2252:20 Unique 2.41, 2.76 A)
&rst
ixpk= 2252, nxpk= 20, iat=1273, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1270,1271,
&end
#
# 83 LEU HB+ 79 LEU HB- 5.50 (# 2253:20 Unique 1.99, 3.56 A)
&rst
ixpk= 2253, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1349,1350,
igr2=1270,1271,
&end
#
# 83 LEU HB- 79 LEU HB+ 5.50 (# 2254:20 Unique 1.99, 3.56 A)
&rst
ixpk= 2254, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1349,1350,
igr2=1270,1271,
&end
#
# 79 LEU HA 79 LEU HB+ 4.40 (# 2255:20 Unique 2.23, 2.46 A)
&rst
ixpk= 2255, nxpk= 20, iat=1268, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1270,1271,
&end
#
# 79 LEU HN 79 LEU HB+ 4.40 (# 2256:20 Unique 3.10, 3.39 A)
&rst
ixpk= 2256, nxpk= 20, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1270,1271,
&end
#
# 79 LEU HN 79 LEU HB- 4.40 (# 2257:20 Unique 3.10, 3.39 A)
&rst
ixpk= 2257, nxpk= 20, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1270,1271,
&end
#
# 79 LEU HN 79 LEU HG 3.50 (# 2258:20 Unique 1.90, 1.98 A)
&rst
ixpk= 2258, nxpk= 20, iat=1266,1273, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 77 TYR HE 79 LEU HG 5.50 (# 2259:20 Unique 3.92, 6.35 A)
&rst
ixpk= 2259, nxpk= 20, iat= -1,1273, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1233,1238,
&end
#
# 0 AMB 20-2:2260 79 LEU HG 3.50 (# 2260:20 Single Ambig)
&rst
ixpk= 2260, nxpk= 20, iat= -1,1273, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1268,1538,1539,
&end
#
# 0 AMB 20-2:2261 79 LEU HG 4.40 (# 2261:20 Single Ambig)
&rst
ixpk= 2261, nxpk= 20, iat= -1,1273, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr1=1538,1539,1301,
&end
#
# 79 LEU HB- 79 LEU HG 3.50 (# 2263:20 Unique 2.41, 2.76 A)
&rst
ixpk= 2263, nxpk= 20, iat= -1,1273, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1270,1271,
&end
#
# 79 LEU MDY 79 LEU HG 2.60 (# 2264:20 Unique 2.21, 2.63 A)
&rst
ixpk= 2264, nxpk= 20, iat= -1,1273, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1275,1276,1277,1279,1280,1281,
&end
#
# 79 LEU MDX 79 LEU HG 2.60 (# 2265:20 Unique 2.21, 2.63 A)
&rst
ixpk= 2265, nxpk= 20, iat= -1,1273, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1275,1276,1277,1279,1280,1281,
&end
#
# 84 VAL MGX 79 LEU MDX 4.40 (# 2266:20 Unique 1.98, 4.89 A)
&rst
ixpk= 2266, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1=1370,1371,1372,1374,1375,1376,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 91 VAL MGX 79 LEU MDX 4.40 (# 2267:20 Unique 3.94, 7.21 A)
&rst
ixpk= 2267, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1=1496,1497,1498,1500,1501,1502,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 0 AMB 20-2:2269 0 AMB 20-1:2269 2.60 (# 2269:20 Double Ambig)
&rst
ixpk= 2269, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.95, r4= 6.70,
igr1=1011,1012,1013,1015,1016,1017,1370,1371,1372,1374,
1375,1376,
igr2=1693,1694,1695,1697,1698,1699,1275,1276,1277,1279,
1280,1281,
&end
#
# 0 AMB 20-2:2270 0 AMB 20-1:2270 2.60 (# 2270:20 Double Ambig)
&rst
ixpk= 2270, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.96, r4= 5.71,
igr1=1270,1271,1688,1689,
igr2=1275,1276,1277,1279,1280,1281,1693,1694,1695,1697,
1698,1699,
&end
#
# 79 LEU HG 79 LEU MDX 2.60 (# 2271:20 Unique 2.21, 2.63 A)
&rst
ixpk= 2271, nxpk= 20, iat=1273, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 0 AMB 20-2:2272 102 LEU MDX 2.60 (# 2272:20 Single Ambig)
&rst
ixpk= 2272, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=1691, 755, 756,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 0 AMB 20-2:2273 102 LEU MDX 2.60 (# 2273:20 Single Ambig)
&rst
ixpk= 2273, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=1055,1056,1688,1689,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 0 AMB 20-2:2274 0 AMB 20-1:2274 3.50 (# 2274:20 Double Ambig)
&rst
ixpk= 2274, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1049,1521, 218,
igr2=1693,1694,1695,1697,1698,1699,1275,1276,1277,1279,
1280,1281,
&end
#
# 100 PHE HB+ 102 LEU MDX 3.50 (# 2275:20 Unique 1.97, 4.34 A)
&rst
ixpk= 2275, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1649,1650,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 0 AMB 20-2:2276 79 LEU MDX 5.50 (# 2276:20 Single Ambig)
&rst
ixpk= 2276, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1227,1228,1286,1287,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 84 VAL HA 79 LEU MDX 3.50 (# 2277:20 Unique 3.21, 4.95 A)
&rst
ixpk= 2277, nxpk= 20, iat=1366, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 93 ILE HA 79 LEU MDX 3.50 (# 2278:20 Unique 3.36, 5.44 A)
&rst
ixpk= 2278, nxpk= 20, iat=1519, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 94 GLY HA- 79 LEU MDX 4.40 (# 2279:20 Unique 3.24, 5.88 A)
&rst
ixpk= 2279, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1538,1539,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 67 ILE HA 102 LEU MDX 2.60 (# 2280:20 Unique 1.91, 4.17 A)
&rst
ixpk= 2280, nxpk= 20, iat=1047, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 0 AMB 20-2:2281 0 AMB 20-1:2281 4.40 (# 2281:20 Double Ambig)
&rst
ixpk= 2281, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1=1295,1347,1066,
igr2=1275,1276,1277,1279,1280,1281,1693,1694,1695,1697,
1698,1699,
&end
#
# 102 LEU HA 102 LEU MDX 2.60 (# 2283:20 Unique 1.98, 4.38 A)
&rst
ixpk= 2283, nxpk= 20, iat=1686, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 0 AMB 20-2:2284 0 AMB 20-1:2284 3.50 (# 2284:20 Double Ambig)
&rst
ixpk= 2284, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1653,1661,1364,
igr2=1693,1694,1695,1697,1698,1699,1275,1276,1277,1279,
1280,1281,
&end
#
# 0 AMB 20-2:2285 0 AMB 20-1:2285 4.40 (# 2285:20 Double Ambig)
&rst
ixpk= 2285, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.98, r4= 7.73,
igr1=1083,2352,
igr2=1693,1694,1695,1697,1698,1699,2301,2302,
&end
#
# 79 LEU HN 79 LEU MDX 3.50 (# 2286:20 Unique 1.94, 3.65 A)
&rst
ixpk= 2286, nxpk= 20, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 0 AMB 20-2:2287 0 AMB 20-1:2287 4.40 (# 2287:20 Double Ambig)
&rst
ixpk= 2287, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.98, r4= 7.73,
igr1=1380,2263,
igr2=1275,1276,1277,1279,1280,1281,2301,2302,
&end
#
# 0 AMB 20-2:2288 0 AMB 20-1:2288 4.40 (# 2288:20 Double Ambig)
&rst
ixpk= 2288, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.61, r4= 9.36,
igr1=1645,1517,1223,1720,
igr2=1693,1694,1695,1697,1698,1699,1275,1276,1277,1279,
1280,1281,2301,2302,
&end
#
# 0 AMB 20-2:2289 102 LEU MDX 3.50 (# 2289:20 Single Ambig)
&rst
ixpk= 2289, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1045,1703,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 68 LEU HN 102 LEU MDX 3.50 (# 2290:20 Unique 2.60, 5.62 A)
&rst
ixpk= 2290, nxpk= 20, iat=1064, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 102 LEU HN 102 LEU MDX 4.40 (# 2291:20 Unique 2.35, 4.04 A)
&rst
ixpk= 2291, nxpk= 20, iat=1684, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 79 LEU HN 79 LEU MDY 3.50 (# 2292:20 Unique 1.94, 3.65 A)
&rst
ixpk= 2292, nxpk= 20, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 95 GLN HE2+ 79 LEU MDY 4.40 (# 2293:20 Unique 2.50, 5.13 A)
&rst
ixpk= 2293, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1555,1556,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 84 VAL HN 79 LEU MDY 3.50 (# 2295:20 Unique 3.90, 5.70 A)
&rst
ixpk= 2295, nxpk= 20, iat=1364, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 77 TYR HE 79 LEU MDY 3.50 (# 2296:20 Unique 2.92, 7.57 A)
&rst
ixpk= 2296, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1233,1238,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 78 LYS HA 79 LEU MDY 5.50 (# 2297:20 Unique 3.16, 5.34 A)
&rst
ixpk= 2297, nxpk= 20, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 0 AMB 20-2:2298 79 LEU MDY 3.50 (# 2298:20 Single Ambig)
&rst
ixpk= 2298, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1538,1539,1268,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 0 AMB 20-2:2299 79 LEU MDY 4.40 (# 2299:20 Single Ambig)
&rst
ixpk= 2299, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1=1538,1539,1301,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 0 AMB 20-2:2300 79 LEU MDY 2.90 (# 2300:20 Single Ambig)
&rst
ixpk= 2300, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.93, r4= 5.68,
igr1=1227,1228,1286,1287,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 80 PRO HD+ 79 LEU MDY 3.50 (# 2301:20 Unique 4.07, 5.84 A)
&rst
ixpk= 2301, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1286,1287,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 84 VAL HA 79 LEU MDY 4.40 (# 2302:20 Unique 3.21, 4.95 A)
&rst
ixpk= 2302, nxpk= 20, iat=1366, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 0 AMB 20-2:2303 79 LEU MDY 5.50 (# 2303:20 Single Ambig)
&rst
ixpk= 2303, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1550,1551,1209,1210,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 79 LEU HG 79 LEU MDY 2.60 (# 2305:20 Unique 2.21, 2.63 A)
&rst
ixpk= 2305, nxpk= 20, iat=1273, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 79 LEU HB- 79 LEU MDY 2.60 (# 2306:20 Unique 1.96, 3.26 A)
&rst
ixpk= 2306, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1270,1271,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 79 LEU HB+ 79 LEU MDY 2.60 (# 2307:20 Unique 1.96, 3.26 A)
&rst
ixpk= 2307, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1270,1271,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 0 AMB 20-2:2310 80 PRO HA 5.50 (# 2310:20 Single Ambig)
&rst
ixpk= 2310, nxpk= 20, iat= -1,1295, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1306,1307,1328,1329,1368,
&end
#
# 80 PRO HB- 80 PRO HA 2.60 (# 2311:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2311, nxpk= 20, iat= -1,1295, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1292,1293,
&end
#
# 0 AMB 20-2:2312 80 PRO HA 4.40 (# 2312:20 Single Ambig)
&rst
ixpk= 2312, nxpk= 20, iat= -1,1295, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1303,1304,1303,1304,1325,1326,
&end
#
# 80 PRO HB+ 80 PRO HA 2.60 (# 2313:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2313, nxpk= 20, iat= -1,1295, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1292,1293,
&end
#
# 80 PRO HD- 80 PRO HA 5.50 (# 2314:20 Unique 3.60, 3.85 A)
&rst
ixpk= 2314, nxpk= 20, iat= -1,1295, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1286,1287,
&end
#
# 81 LYS HA 80 PRO HA 5.50 (# 2315:20 Unique 4.31, 4.31 A)
&rst
ixpk= 2315, nxpk= 20, iat=1301,1295, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 106 SER HN 105 VAL HA 4.40 (# 2316:20 Unique 3.45, 3.53 A)
&rst
ixpk= 2316, nxpk= 20, iat=1755,1741, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 81 LYS HN 80 PRO HA 2.60 (# 2317:20 Unique 2.33, 2.40 A)
&rst
ixpk= 2317, nxpk= 20, iat=1299,1295, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 81 LYS HN 80 PRO HB+ 3.50 (# 2318:20 Unique 2.38, 3.04 A)
&rst
ixpk= 2318, nxpk= 20, iat=1299, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1292,1293,
&end
#
# 81 LYS HN 80 PRO HB- 3.50 (# 2319:20 Unique 2.38, 3.04 A)
&rst
ixpk= 2319, nxpk= 20, iat=1299, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1292,1293,
&end
#
# 80 PRO HA 80 PRO HB- 2.60 (# 2320:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2320, nxpk= 20, iat=1295, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1292,1293,
&end
#
# 80 PRO HA 80 PRO HB+ 2.60 (# 2321:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2321, nxpk= 20, iat=1295, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1292,1293,
&end
#
# 80 PRO HD- 80 PRO HB+ 5.50 (# 2322:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2322, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1286,1287,
igr2=1292,1293,
&end
#
# 80 PRO HD+ 80 PRO HB+ 5.50 (# 2323:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2323, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1286,1287,
igr2=1292,1293,
&end
#
# 80 PRO HD- 80 PRO HB- 5.50 (# 2324:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2324, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1286,1287,
igr2=1292,1293,
&end
#
# 0 AMB 20-2:2325 0 AMB 20-1:2325 3.50 (# 2325:20 Double Ambig)
&rst
ixpk= 2325, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1354,1355,1356,1358,1359,1360,1354,1355,1356,1358,
1359,1360,
igr2=1292,1293,1292,1293,
&end
#
# 0 AMB 20-2:2326 80 PRO HB- 3.50 (# 2326:20 Single Ambig)
&rst
ixpk= 2326, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1354,1355,1356,1358,1359,1360,1354,1355,1356,1358,
1359,1360,1275,1276,1277,1279,1280,1281,
igr2=1292,1293,
&end
#
# 0 AMB 20-2:2327 0 AMB 20-1:2327 3.50 (# 2327:20 Double Ambig)
&rst
ixpk= 2327, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1354,1355,1356,1358,1359,1360,1354,1355,1356,1358,
1359,1360,
igr2=1289,1290,1289,1290,
&end
#
# 0 AMB 20-2:2328 0 AMB 20-1:2328 3.50 (# 2328:20 Double Ambig)
&rst
ixpk= 2328, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=2180,2181,2182,2184,2185,2186,2180,2181,2182,2184,
2185,2186,
igr2=2396,2397,2396,2397,
&end
#
# 0 AMB 20-2:2329 0 AMB 20-1:2329 2.60 (# 2329:20 Double Ambig)
&rst
ixpk= 2329, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1331,1332,2423,2424,
igr2=1289,1290,2420,2421,
&end
#
# 80 PRO HB+ 80 PRO HG+ 2.60 (# 2330:20 Unique 2.32, 2.58 A)
&rst
ixpk= 2330, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1292,1293,
igr2=1289,1290,
&end
#
# 80 PRO HB+ 80 PRO HG- 2.60 (# 2331:20 Unique 2.32, 2.58 A)
&rst
ixpk= 2331, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1292,1293,
igr2=1289,1290,
&end
#
# 0 AMB 20-2:2332 0 AMB 20-1:2332 3.50 (# 2332:20 Double Ambig)
&rst
ixpk= 2332, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1295,1347,2342,
igr2=1289,1290,1289,1290,2420,2421,
&end
#
# 145 ARG HA 145 ARG HG+ 3.50 (# 2333:20 Unique 2.11, 2.72 A)
&rst
ixpk= 2333, nxpk= 20, iat=2391, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2396,2397,
&end
#
# 145 ARG HN 145 ARG HG+ 4.40 (# 2334:20 Unique 2.79, 3.96 A)
&rst
ixpk= 2334, nxpk= 20, iat=2389, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2396,2397,
&end
#
# 0 AMB 20-2:2335 0 AMB 20-1:2335 5.50 (# 2335:20 Double Ambig)
&rst
ixpk= 2335, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1490,1506,
igr2=1477,1478,1477,1478,
&end
#
# 90 PRO HA 90 PRO HD+ 3.50 (# 2337:20 Unique 3.60, 3.85 A)
&rst
ixpk= 2337, nxpk= 20, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1477,1478,
&end
#
# 89 LYS HA 90 PRO HD+ 4.00 (# 2338:20 Unique 2.49, 2.63 A)
&rst
ixpk= 2338, nxpk= 20, iat=1456, -1, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr2=1477,1478,
&end
#
# 90 PRO HB+ 90 PRO HD+ 3.50 (# 2339:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2339, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1483,1484,
igr2=1477,1478,
&end
#
# 0 AMB 20-2:2340 0 AMB 20-1:2340 2.60 (# 2340:20 Double Ambig)
&rst
ixpk= 2340, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1480,1481,1483,1484,
igr2=1477,1478,1477,1478,
&end
#
# 89 LYS HB+ 90 PRO HD+ 3.80 (# 2341:20 Unique 1.58, 3.00 A)
&rst
ixpk= 2341, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.79, r4= 5.54,
igr1=1458,1459,
igr2=1477,1478,
&end
#
# 90 PRO HG- 90 PRO HD+ 2.60 (# 2342:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2342, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1480,1481,
igr2=1477,1478,
&end
#
# 2 ILE QD1 90 PRO HD+ 5.50 (# 2343:20 Unique 5.26, 6.35 A)
&rst
ixpk= 2343, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 34, 35, 36,
igr2=1477,1478,
&end
#
# 84 VAL MGX 81 LYS HA 4.40 (# 2344:20 Unique 1.92, 3.95 A)
&rst
ixpk= 2344, nxpk= 20, iat= -1,1301, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1370,1371,1372,1374,1375,1376,
&end
#
# 84 VAL MGY 81 LYS HA 2.60 (# 2345:20 Unique 1.92, 3.95 A)
&rst
ixpk= 2345, nxpk= 20, iat= -1,1301, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1370,1371,1372,1374,1375,1376,
&end
#
# 0 AMB 20-2:2346 81 LYS HA 2.60 (# 2346:20 Single Ambig)
&rst
ixpk= 2346, nxpk= 20, iat= -1,1301, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr1=1368,1306,1307,
&end
#
# 0 AMB 20-2:2347 81 LYS HA 4.40 (# 2347:20 Single Ambig)
&rst
ixpk= 2347, nxpk= 20, iat= -1,1301, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1309,1310,1292,1293,
&end
#
# 0 AMB 20-2:2348 81 LYS HA 2.60 (# 2348:20 Single Ambig)
&rst
ixpk= 2348, nxpk= 20, iat= -1,1301, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1303,1304,1303,1304,
&end
#
# 80 PRO HB+ 81 LYS HA 5.50 (# 2349:20 Unique 4.56, 5.25 A)
&rst
ixpk= 2349, nxpk= 20, iat= -1,1301, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1292,1293,
&end
#
# 0 AMB 20-2:2351 81 LYS HA 4.40 (# 2351:20 Single Ambig)
&rst
ixpk= 2351, nxpk= 20, iat= -1,1301, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1295,1347,
&end
#
# 0 AMB 20-2:2352 81 LYS HA 4.40 (# 2352:20 Single Ambig)
&rst
ixpk= 2352, nxpk= 20, iat= -1,1301, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1364,1419,
&end
#
# 86 TRP HZ2 81 LYS HA 4.40 (# 2353:20 Unique 1.97, 2.30 A)
&rst
ixpk= 2353, nxpk= 20, iat=1417,1301, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 83 LEU HN 81 LYS HA 5.50 (# 2354:20 Unique 3.43, 3.55 A)
&rst
ixpk= 2354, nxpk= 20, iat=1345,1301, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 81 LYS HN 81 LYS HA 3.50 (# 2355:20 Unique 2.76, 2.81 A)
&rst
ixpk= 2355, nxpk= 20, iat=1299,1301, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 86 TRP HE1 81 LYS HA 5.50 (# 2356:20 Unique 2.74, 3.36 A)
&rst
ixpk= 2356, nxpk= 20, iat=1414,1301, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 79 LEU MDX 81 LYS HG+ 5.50 (# 2358:20 Unique 5.74, 8.97 A)
&rst
ixpk= 2358, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1275,1276,1277,1279,1280,1281,
igr2=1306,1307,
&end
#
# 0 AMB 20-2:2359 0 AMB 20-1:2359 2.60 (# 2359:20 Double Ambig)
&rst
ixpk= 2359, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 790, 791,1309,1310,2480,2481,
igr2= 793, 794,1306,1307,2477,2478,
&end
#
# 81 LYS HE+ 81 LYS HG+ 3.50 (# 2361:20 Unique 2.13, 3.34 A)
&rst
ixpk= 2361, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1312,1313,
igr2=1306,1307,
&end
#
# 0 AMB 20-2:2362 0 AMB 20-1:2362 5.50 (# 2362:20 Double Ambig)
&rst
ixpk= 2362, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1366,1408,1409,
igr2=1306,1307,1306,1307,
&end
#
# 81 LYS HA 81 LYS HG+ 3.50 (# 2363:20 Unique 2.36, 2.98 A)
&rst
ixpk= 2363, nxpk= 20, iat=1301, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1306,1307,
&end
#
# 81 LYS HN 81 LYS HG+ 3.51 (# 2365:20 Unique 2.35, 3.35 A)
&rst
ixpk= 2365, nxpk= 20, iat=1299, -1, r1= 0.00, r2= 1.80, r3= 3.94, r4= 4.69,
igr2=1306,1307,
&end
#
# 81 LYS HN 81 LYS HD+ 4.40 (# 2366:20 Unique 1.88, 3.14 A)
&rst
ixpk= 2366, nxpk= 20, iat=1299, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1309,1310,
&end
#
# 81 LYS HA 81 LYS HD+ 4.40 (# 2368:20 Unique 3.12, 4.41 A)
&rst
ixpk= 2368, nxpk= 20, iat=1301, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1309,1310,
&end
#
# 0 AMB 20-2:2369 0 AMB 20-1:2369 4.40 (# 2369:20 Double Ambig)
&rst
ixpk= 2369, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.98, r4= 7.73,
igr1=1567,1568,1527,1528,
igr2=1257,1258,1257,1258,
&end
#
# 0 AMB 20-2:2370 0 AMB 20-1:2370 2.60 (# 2370:20 Double Ambig)
&rst
ixpk= 2370, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.20, r4= 5.95,
igr1=2477,2478,1251,1252,1306,1307, 793, 794,
igr2=2483,2484,1257,1258,1312,1313, 796, 797,
&end
#
# 81 LYS HN 81 LYS HE+ 5.50 (# 2371:20 Unique 1.94, 4.13 A)
&rst
ixpk= 2371, nxpk= 20, iat=1299, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1312,1313,
&end
#
# 82 ARG HN 82 ARG HA 2.80 (# 2372:20 Unique 2.77, 2.80 A)
&rst
ixpk= 2372, nxpk= 20, iat=1321,1323, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 83 LEU HN 82 ARG HA 3.50 (# 2373:20 Unique 3.30, 3.41 A)
&rst
ixpk= 2373, nxpk= 20, iat=1345,1323, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 84 VAL HN 82 ARG HA 4.40 (# 2375:20 Unique 3.84, 4.21 A)
&rst
ixpk= 2375, nxpk= 20, iat=1364,1323, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 119 PRO HD+ 118 THR HA 2.60 (# 2376:20 Unique 1.92, 2.17 A)
&rst
ixpk= 2376, nxpk= 20, iat= -1,1915, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1928,1929,
&end
#
# 119 PRO HD- 118 THR HA 2.60 (# 2377:20 Unique 1.92, 2.17 A)
&rst
ixpk= 2377, nxpk= 20, iat= -1,1915, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1928,1929,
&end
#
# 82 ARG HB+ 82 ARG HA 2.60 (# 2378:20 Unique 2.27, 2.46 A)
&rst
ixpk= 2378, nxpk= 20, iat= -1,1323, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1325,1326,
&end
#
# 82 ARG HB- 82 ARG HA 2.60 (# 2379:20 Unique 2.27, 2.46 A)
&rst
ixpk= 2379, nxpk= 20, iat= -1,1323, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1325,1326,
&end
#
# 0 AMB 20-2:2380 0 AMB 20-1:2380 3.50 (# 2380:20 Double Ambig)
&rst
ixpk= 2380, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1306,1307,1328,1329,1931,1932,
igr2=1323,1915,
&end
#
# 118 THR MG2 118 THR HA 3.50 (# 2381:20 Unique 2.25, 2.88 A)
&rst
ixpk= 2381, nxpk= 20, iat= -1,1915, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1919,1920,1921,
&end
#
# 0 AMB 20-2:2382 0 AMB 20-1:2382 4.40 (# 2382:20 Double Ambig)
&rst
ixpk= 2382, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
igr1=1354,1355,1356,1358,1359,1360,1354,1355,1356,1358,
1359,1360,
igr2=1325,1326,1325,1326,
&end
#
# 0 AMB 20-2:2383 82 ARG HB- 5.50 (# 2383:20 Single Ambig)
&rst
ixpk= 2383, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1354,1355,1356,1358,1359,1360,1354,1355,1356,1358,
1359,1360,
igr2=1325,1326,
&end
#
# 149 LYS HE+ 149 LYS HD+ 2.60 (# 2384:20 Unique 2.22, 2.68 A)
&rst
ixpk= 2384, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2483,2484,
igr2=2480,2481,
&end
#
# 82 ARG HD+ 82 ARG HB- 2.60 (# 2385:20 Unique 1.99, 3.21 A)
&rst
ixpk= 2385, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1331,1332,
igr2=1325,1326,
&end
#
# 0 AMB 20-2:2386 0 AMB 20-1:2386 3.50 (# 2386:20 Double Ambig)
&rst
ixpk= 2386, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2415,2541,2542,
igr2=2480,2481,2480,2481,
&end
#
# 0 AMB 20-2:2387 0 AMB 20-1:2387 5.50 (# 2387:20 Double Ambig)
&rst
ixpk= 2387, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1759,1760,2494,
igr2=1799,1800,2480,2481,
&end
#
# 82 ARG HA 82 ARG HB- 2.60 (# 2388:20 Unique 2.27, 2.46 A)
&rst
ixpk= 2388, nxpk= 20, iat=1323, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1325,1326,
&end
#
# 0 AMB 20-2:2391 0 AMB 20-1:2391 4.40 (# 2391:20 Double Ambig)
&rst
ixpk= 2391, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1345,2673,
igr2=1325,1326, 262, 263,
&end
#
# 83 LEU HN 82 ARG HB- 5.50 (# 2392:20 Unique 3.67, 4.10 A)
&rst
ixpk= 2392, nxpk= 20, iat=1345, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1325,1326,
&end
#
# 82 ARG HN 82 ARG HB- 2.60 (# 2393:20 Unique 2.53, 3.17 A)
&rst
ixpk= 2393, nxpk= 20, iat=1321, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1325,1326,
&end
#
# 82 ARG HN 82 ARG HG- 3.50 (# 2394:20 Unique 2.00, 2.31 A)
&rst
ixpk= 2394, nxpk= 20, iat=1321, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1328,1329,
&end
#
# 83 LEU HN 82 ARG HG+ 4.40 (# 2395:20 Unique 2.20, 3.20 A)
&rst
ixpk= 2395, nxpk= 20, iat=1345, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1328,1329,
&end
#
# 0 AMB 20-2:2397 0 AMB 20-1:2397 3.50 (# 2397:20 Double Ambig)
&rst
ixpk= 2397, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1323,2233,
igr2=1328,1329,2323,2324,
&end
#
# 82 ARG HB+ 82 ARG HG+ 2.60 (# 2398:20 Unique 2.23, 2.71 A)
&rst
ixpk= 2398, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1325,1326,
igr2=1328,1329,
&end
#
# 0 AMB 20-2:2399 0 AMB 20-1:2399 2.60 (# 2399:20 Double Ambig)
&rst
ixpk= 2399, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1325,1326,1864,1865,
igr2=1328,1329,1931,1932,
&end
#
# 0 AMB 20-2:2400 0 AMB 20-1:2400 2.60 (# 2400:20 Double Ambig)
&rst
ixpk= 2400, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.96, r4= 5.71,
igr1=1354,1355,1356,1358,1359,1360,1354,1355,1356,1358,
1359,1360,
igr2=1328,1329,1328,1329,
&end
#
# 82 ARG HB+ 82 ARG HD+ 2.60 (# 2402:20 Unique 1.99, 3.21 A)
&rst
ixpk= 2402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1325,1326,
igr2=1331,1332,
&end
#
# 0 AMB 20-2:2403 0 AMB 20-1:2403 2.60 (# 2403:20 Double Ambig)
&rst
ixpk= 2403, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1325,1326,1122,1123,
igr2=1331,1332,1128,1129,
&end
#
# 82 ARG HG+ 82 ARG HD+ 2.60 (# 2404:20 Unique 2.22, 2.62 A)
&rst
ixpk= 2404, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1328,1329,
igr2=1331,1332,
&end
#
# 82 ARG HA 82 ARG HD+ 4.40 (# 2405:20 Unique 4.45, 5.01 A)
&rst
ixpk= 2405, nxpk= 20, iat=1323, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1331,1332,
&end
#
# 73 ASN HD2+ 72 ARG HD+ 5.50 (# 2406:20 Unique 3.37, 5.25 A)
&rst
ixpk= 2406, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1151,1152,
igr2=1128,1129,
&end
#
# 83 LEU HN 83 LEU HA 3.50 (# 2407:20 Unique 2.93, 2.94 A)
&rst
ixpk= 2407, nxpk= 20, iat=1345,1347, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 84 VAL HN 83 LEU HA 3.50 (# 2408:20 Unique 3.27, 3.37 A)
&rst
ixpk= 2408, nxpk= 20, iat=1364,1347, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 83 LEU HB+ 83 LEU HA 2.60 (# 2410:20 Unique 2.26, 2.70 A)
&rst
ixpk= 2410, nxpk= 20, iat= -1,1347, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1349,1350,
&end
#
# 83 LEU HG 83 LEU HA 3.50 (# 2411:20 Unique 2.20, 3.04 A)
&rst
ixpk= 2411, nxpk= 20, iat=1352,1347, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:2412 83 LEU HA 2.60 (# 2412:20 Single Ambig)
&rst
ixpk= 2412, nxpk= 20, iat= -1,1347, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1349,1350,1328,1329,
&end
#
# 0 AMB 20-2:2414 83 LEU HA 2.60 (# 2414:20 Single Ambig)
&rst
ixpk= 2414, nxpk= 20, iat= -1,1347, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1354,1355,1356,1358,1359,1360,1354,1355,1356,1358,
1359,1360,
&end
#
# 79 LEU MDX 83 LEU HA 4.40 (# 2415:20 Unique 4.96, 6.72 A)
&rst
ixpk= 2415, nxpk= 20, iat= -1,1347, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1275,1276,1277,1279,1280,1281,
&end
#
# 0 AMB 20-2:2416 0 AMB 20-1:2416 2.60 (# 2416:20 Double Ambig)
&rst
ixpk= 2416, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1354,1355,1356,1358,1359,1360,1354,1355,1356,1358,
1359,1360,1275,1276,1277,1279,1280,1281,
igr2=1349,1350,1349,1350,1349,1350,
&end
#
# 0 AMB 20-2:2417 83 LEU HB- 2.60 (# 2417:20 Single Ambig)
&rst
ixpk= 2417, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1354,1355,1356,1358,1359,1360,1354,1355,1356,1358,
1359,1360,1275,1276,1277,1279,1280,1281,
igr2=1349,1350,
&end
#
# 79 LEU MDX 83 LEU HB+ 5.50 (# 2418:20 Unique 2.31, 4.73 A)
&rst
ixpk= 2418, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1275,1276,1277,1279,1280,1281,
igr2=1349,1350,
&end
#
# 79 LEU MDX 83 LEU HB- 3.50 (# 2419:20 Unique 2.31, 4.73 A)
&rst
ixpk= 2419, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1275,1276,1277,1279,1280,1281,
igr2=1349,1350,
&end
#
# 82 ARG HD+ 83 LEU HB+ 5.50 (# 2420:20 Unique 4.52, 5.71 A)
&rst
ixpk= 2420, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1331,1332,
igr2=1349,1350,
&end
#
# 83 LEU HA 83 LEU HB+ 3.50 (# 2421:20 Unique 2.26, 2.70 A)
&rst
ixpk= 2421, nxpk= 20, iat=1347, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1349,1350,
&end
#
# 83 LEU HA 83 LEU HB- 3.50 (# 2422:20 Unique 2.26, 2.70 A)
&rst
ixpk= 2422, nxpk= 20, iat=1347, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1349,1350,
&end
#
# 84 VAL HN 83 LEU HB- 5.50 (# 2423:20 Unique 3.16, 3.75 A)
&rst
ixpk= 2423, nxpk= 20, iat=1364, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1349,1350,
&end
#
# 83 LEU HN 83 LEU HB+ 3.50 (# 2424:20 Unique 2.26, 3.18 A)
&rst
ixpk= 2424, nxpk= 20, iat=1345, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1349,1350,
&end
#
# 83 LEU HN 83 LEU HB- 3.50 (# 2425:20 Unique 2.26, 3.18 A)
&rst
ixpk= 2425, nxpk= 20, iat=1345, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1349,1350,
&end
#
# 82 ARG HN 83 LEU HG 4.40 (# 2426:20 Unique 3.86, 4.74 A)
&rst
ixpk= 2426, nxpk= 20, iat=1321,1352, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 92 CYS HB- 2 ILE HG1- 5.50 (# 2427:20 Unique 1.94, 2.90 A)
&rst
ixpk= 2427, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1510,1511,
igr2= 31, 32,
&end
#
# 83 LEU HN 83 LEU MDX 3.50 (# 2429:20 Unique 2.75, 4.38 A)
&rst
ixpk= 2429, nxpk= 20, iat=1345, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 82 ARG HN 83 LEU MDX 5.50 (# 2430:20 Unique 3.79, 5.97 A)
&rst
ixpk= 2430, nxpk= 20, iat=1321, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 84 VAL HN 83 LEU MDX 5.50 (# 2432:20 Unique 4.58, 5.77 A)
&rst
ixpk= 2432, nxpk= 20, iat=1364, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 83 LEU HA 83 LEU MDX 3.50 (# 2434:20 Unique 2.28, 4.04 A)
&rst
ixpk= 2434, nxpk= 20, iat=1347, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 79 LEU HA 83 LEU MDX 3.50 (# 2435:20 Unique 3.21, 5.51 A)
&rst
ixpk= 2435, nxpk= 20, iat=1268, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 0 AMB 20-2:2436 83 LEU MDX 5.50 (# 2436:20 Single Ambig)
&rst
ixpk= 2436, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1366,2278,2279,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 80 PRO HD+ 83 LEU MDX 3.50 (# 2437:20 Unique 1.94, 4.33 A)
&rst
ixpk= 2437, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1286,1287,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 0 AMB 20-2:2438 0 AMB 20-1:2438 3.50 (# 2438:20 Double Ambig)
&rst
ixpk= 2438, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1=1286,1287,2278,2279,
igr2=1354,1355,1356,1358,1359,1360,2301,2302,
&end
#
# 140 LYS HE- 83 LEU MDX 5.50 (# 2439:20 Unique 7.42,11.47 A)
&rst
ixpk= 2439, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2307,2308,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 80 PRO HB+ 83 LEU MDX 4.40 (# 2440:20 Unique 3.83, 5.97 A)
&rst
ixpk= 2440, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1292,1293,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 83 LEU HB+ 83 LEU MDX 2.60 (# 2441:20 Unique 2.12, 3.26 A)
&rst
ixpk= 2441, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1349,1350,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 83 LEU HG 83 LEU MDX 2.60 (# 2442:20 Unique 2.25, 2.63 A)
&rst
ixpk= 2442, nxpk= 20, iat=1352, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 83 LEU HG 83 LEU MDY 2.60 (# 2444:20 Unique 2.25, 2.63 A)
&rst
ixpk= 2444, nxpk= 20, iat=1352, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 83 LEU HB+ 83 LEU MDY 2.60 (# 2445:20 Unique 2.12, 3.26 A)
&rst
ixpk= 2445, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1349,1350,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 82 ARG HB+ 83 LEU MDY 3.50 (# 2446:20 Unique 2.15, 5.76 A)
&rst
ixpk= 2446, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1325,1326,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 83 LEU HA 83 LEU MDY 2.60 (# 2447:20 Unique 2.28, 4.04 A)
&rst
ixpk= 2447, nxpk= 20, iat=1347, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 83 LEU HN 83 LEU MDY 3.50 (# 2448:20 Unique 2.75, 4.38 A)
&rst
ixpk= 2448, nxpk= 20, iat=1345, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 82 ARG HN 83 LEU MDY 5.50 (# 2449:20 Unique 3.79, 5.97 A)
&rst
ixpk= 2449, nxpk= 20, iat=1321, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 85 ARG HN 84 VAL HA 2.60 (# 2451:20 Unique 2.14, 2.16 A)
&rst
ixpk= 2451, nxpk= 20, iat=1380,1366, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 112 ASN HN 111 ILE HA 2.60 (# 2452:20 Unique 2.14, 2.16 A)
&rst
ixpk= 2452, nxpk= 20, iat=1829,1812, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 111 ILE HN 111 ILE HA 3.50 (# 2453:20 Unique 2.74, 2.77 A)
&rst
ixpk= 2453, nxpk= 20, iat=1810,1812, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 85 ARG HA 84 VAL HA 5.50 (# 2454:20 Unique 4.38, 4.39 A)
&rst
ixpk= 2454, nxpk= 20, iat=1382,1366, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 84 VAL HB 84 VAL HA 3.50 (# 2455:20 Unique 2.99, 3.01 A)
&rst
ixpk= 2455, nxpk= 20, iat=1368,1366, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:2456 84 VAL HA 3.50 (# 2456:20 Single Ambig)
&rst
ixpk= 2456, nxpk= 20, iat= -1,1366, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1349,1350,1384,1385,
&end
#
# 111 ILE HG1- 111 ILE HA 4.40 (# 2457:20 Unique 2.46, 2.78 A)
&rst
ixpk= 2457, nxpk= 20, iat= -1,1812, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1820,1821,
&end
#
# 79 LEU MDX 84 VAL HA 3.50 (# 2458:20 Unique 3.21, 4.95 A)
&rst
ixpk= 2458, nxpk= 20, iat= -1,1366, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1275,1276,1277,1279,1280,1281,
&end
#
# 0 AMB 20-2:2459 0 AMB 20-1:2459 2.60 (# 2459:20 Double Ambig)
&rst
ixpk= 2459, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1= 900, 901, 902, 904, 905, 906,1370,1371,1372,1374,
1375,1376,
igr2=1812,1366,
&end
#
# 0 AMB 20-2:2460 0 AMB 20-1:2460 3.50 (# 2460:20 Double Ambig)
&rst
ixpk= 2460, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1496,1497,1498,1500,1501,1502,1820,1821,
igr2=1366,1812,
&end
#
# 111 ILE QG2 111 ILE HA 3.50 (# 2461:20 Unique 2.32, 3.11 A)
&rst
ixpk= 2461, nxpk= 20, iat= -1,1812, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1816,1817,1818,
&end
#
# 84 VAL MGX 84 VAL HA 2.60 (# 2462:20 Unique 2.41, 3.12 A)
&rst
ixpk= 2462, nxpk= 20, iat= -1,1366, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1370,1371,1372,1374,1375,1376,
&end
#
# 83 LEU HN 84 VAL HB 5.50 (# 2464:20 Unique 4.20, 4.43 A)
&rst
ixpk= 2464, nxpk= 20, iat=1345,1368, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 86 TRP HE1 84 VAL MGX 3.50 (# 2465:20 Unique 3.98, 5.29 A)
&rst
ixpk= 2465, nxpk= 20, iat=1414, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 93 ILE HN 84 VAL MGX 5.50 (# 2466:20 Unique 5.04, 6.45 A)
&rst
ixpk= 2466, nxpk= 20, iat=1517, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 85 ARG HN 84 VAL MGX 2.60 (# 2467:20 Unique 2.19, 4.35 A)
&rst
ixpk= 2467, nxpk= 20, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 86 TRP HN 84 VAL MGX 4.40 (# 2468:20 Unique 4.22, 6.30 A)
&rst
ixpk= 2468, nxpk= 20, iat=1404, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 83 LEU HN 84 VAL MGX 5.50 (# 2469:20 Unique 3.47, 5.29 A)
&rst
ixpk= 2469, nxpk= 20, iat=1345, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 0 AMB 20-2:2470 84 VAL MGX 4.40 (# 2470:20 Single Ambig)
&rst
ixpk= 2470, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1423,1536,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 86 TRP HZ2 84 VAL MGX 3.50 (# 2471:20 Unique 3.08, 4.03 A)
&rst
ixpk= 2471, nxpk= 20, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 0 AMB 20-2:2472 84 VAL MGX 3.50 (# 2472:20 Single Ambig)
&rst
ixpk= 2472, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1364,1419,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 0 AMB 20-2:2473 84 VAL MGX 5.50 (# 2473:20 Single Ambig)
&rst
ixpk= 2473, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1440,1555,1556,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 93 ILE HA 84 VAL MGX 2.60 (# 2474:20 Unique 3.05, 4.29 A)
&rst
ixpk= 2474, nxpk= 20, iat=1519, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 85 ARG HA 84 VAL MGX 4.40 (# 2475:20 Unique 4.06, 5.96 A)
&rst
ixpk= 2475, nxpk= 20, iat=1382, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 81 LYS HA 84 VAL MGX 4.40 (# 2477:20 Unique 1.92, 3.95 A)
&rst
ixpk= 2477, nxpk= 20, iat=1301, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 91 VAL HA 84 VAL MGX 5.50 (# 2478:20 Unique 5.04, 6.66 A)
&rst
ixpk= 2478, nxpk= 20, iat=1492, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 84 VAL HA 84 VAL MGX 2.60 (# 2479:20 Unique 2.41, 3.12 A)
&rst
ixpk= 2479, nxpk= 20, iat=1366, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 0 AMB 20-2:2480 84 VAL MGX 3.50 (# 2480:20 Single Ambig)
&rst
ixpk= 2480, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.53, r4= 7.28,
igr1=1494,1384,1385,1309,1310,1292,1293,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 91 VAL MGY 84 VAL MGX 3.50 (# 2481:20 Unique 1.88, 4.48 A)
&rst
ixpk= 2481, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1496,1497,1498,1500,1501,1502,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 93 ILE QG2 84 VAL MGX 2.60 (# 2483:20 Unique 3.22, 5.73 A)
&rst
ixpk= 2483, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=1523,1524,1525,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 91 VAL MGX 84 VAL MGX 2.60 (# 2484:20 Unique 1.88, 4.48 A)
&rst
ixpk= 2484, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1496,1497,1498,1500,1501,1502,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 0 AMB 20-2:2485 84 VAL MGX 2.60 (# 2485:20 Single Ambig)
&rst
ixpk= 2485, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=1368,1306,1307,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 0 AMB 20-2:2486 0 AMB 20-1:2486 2.60 (# 2486:20 Double Ambig)
&rst
ixpk= 2486, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.96, r4= 5.71,
igr1= 832,1368, 224, 225,
igr2= 900, 901, 902, 904, 905, 906,1370,1371,1372,1374,
1375,1376,
&end
#
# 0 AMB 20-2:2487 0 AMB 20-1:2487 2.60 (# 2487:20 Double Ambig)
&rst
ixpk= 2487, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1= 829, 830,1303,1304,1303,1304,1009,
igr2= 900, 901, 902, 904, 905, 906,1370,1371,1372,1374,
1375,1376,
&end
#
# 86 TRP HE1 84 VAL MGY 4.40 (# 2488:20 Unique 3.98, 5.29 A)
&rst
ixpk= 2488, nxpk= 20, iat=1414, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 85 ARG HN 84 VAL MGY 3.50 (# 2489:20 Unique 2.19, 4.35 A)
&rst
ixpk= 2489, nxpk= 20, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 81 LYS HN 84 VAL MGY 5.50 (# 2490:20 Unique 3.56, 6.08 A)
&rst
ixpk= 2490, nxpk= 20, iat=1299, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 93 ILE HN 84 VAL MGY 5.50 (# 2491:20 Unique 5.04, 6.45 A)
&rst
ixpk= 2491, nxpk= 20, iat=1517, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 79 LEU HN 84 VAL MGY 4.70 (# 2492:20 Unique 4.49, 6.23 A)
&rst
ixpk= 2492, nxpk= 20, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 6.34, r4= 7.09,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 83 LEU HN 84 VAL MGY 4.40 (# 2493:20 Unique 3.47, 5.29 A)
&rst
ixpk= 2493, nxpk= 20, iat=1345, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 86 TRP HZ2 84 VAL MGY 2.60 (# 2494:20 Unique 3.08, 4.03 A)
&rst
ixpk= 2494, nxpk= 20, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 0 AMB 20-2:2496 84 VAL MGY 5.50 (# 2496:20 Single Ambig)
&rst
ixpk= 2496, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1423,1536,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 0 AMB 20-2:2497 0 AMB 20-1:2497 4.40 (# 2497:20 Double Ambig)
&rst
ixpk= 2497, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
igr1=2515,2523,1715,1716,
igr2=2554,2555,2556,2558,2559,2560, 329, 330, 331, 333,
334, 335,
&end
#
# 0 AMB 20-2:2498 0 AMB 20-1:2498 2.60 (# 2498:20 Double Ambig)
&rst
ixpk= 2498, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=2096,2550,
igr2= 329, 330, 331, 333, 334, 335,2554,2555,2556,2558,
2559,2560,
&end
#
# 84 VAL MGX 85 ARG HA 4.40 (# 2499:20 Unique 4.06, 5.96 A)
&rst
ixpk= 2499, nxpk= 20, iat= -1,1382, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1370,1371,1372,1374,1375,1376,
&end
#
# 85 ARG HG- 85 ARG HA 3.50 (# 2500:20 Unique 2.70, 3.20 A)
&rst
ixpk= 2500, nxpk= 20, iat= -1,1382, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1387,1388,
&end
#
# 0 AMB 20-2:2501 85 ARG HA 2.60 (# 2501:20 Single Ambig)
&rst
ixpk= 2501, nxpk= 20, iat= -1,1382, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1384,1385,1387,1388,
&end
#
# 85 ARG HB+ 85 ARG HA 2.60 (# 2502:20 Unique 2.59, 2.81 A)
&rst
ixpk= 2502, nxpk= 20, iat= -1,1382, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1384,1385,
&end
#
# 87 ASP HB- 85 ARG HA 4.40 (# 2504:20 Unique 4.54, 5.26 A)
&rst
ixpk= 2504, nxpk= 20, iat= -1,1382, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1432,1433,
&end
#
# 87 ASP HB+ 85 ARG HA 4.40 (# 2505:20 Unique 4.54, 5.26 A)
&rst
ixpk= 2505, nxpk= 20, iat= -1,1382, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1432,1433,
&end
#
# 0 AMB 20-2:2506 85 ARG HA 4.40 (# 2506:20 Single Ambig)
&rst
ixpk= 2506, nxpk= 20, iat= -1,1382, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1408,1409,1467,1468,
&end
#
# 85 ARG HD+ 85 ARG HA 2.60 (# 2507:20 Unique 2.09, 2.65 A)
&rst
ixpk= 2507, nxpk= 20, iat= -1,1382, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1390,1391,
&end
#
# 0 AMB 20-2:2508 85 ARG HA 4.40 (# 2508:20 Single Ambig)
&rst
ixpk= 2508, nxpk= 20, iat= -1,1382, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr1=1366,1408,1409,
&end
#
# 86 TRP HD1 85 ARG HA 5.50 (# 2510:20 Unique 3.59, 3.68 A)
&rst
ixpk= 2510, nxpk= 20, iat=1412,1382, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 86 TRP HN 85 ARG HA 2.60 (# 2511:20 Unique 2.14, 2.16 A)
&rst
ixpk= 2511, nxpk= 20, iat=1404,1382, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 85 ARG HN 85 ARG HA 3.50 (# 2512:20 Unique 2.92, 2.93 A)
&rst
ixpk= 2512, nxpk= 20, iat=1380,1382, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 87 ASP HN 85 ARG HA 3.50 (# 2513:20 Unique 3.28, 3.34 A)
&rst
ixpk= 2513, nxpk= 20, iat=1428,1382, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 85 ARG HN 85 ARG HB+ 3.50 (# 2514:20 Unique 2.24, 2.94 A)
&rst
ixpk= 2514, nxpk= 20, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1384,1385,
&end
#
# 85 ARG HN 85 ARG HB- 3.50 (# 2515:20 Unique 2.24, 2.94 A)
&rst
ixpk= 2515, nxpk= 20, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1384,1385,
&end
#
# 87 ASP HN 85 ARG HB+ 5.50 (# 2516:20 Unique 3.34, 4.20 A)
&rst
ixpk= 2516, nxpk= 20, iat=1428, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1384,1385,
&end
#
# 87 ASP HN 85 ARG HB- 5.50 (# 2517:20 Unique 3.34, 4.20 A)
&rst
ixpk= 2517, nxpk= 20, iat=1428, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1384,1385,
&end
#
# 85 ARG HE 85 ARG HB- 5.50 (# 2518:20 Unique 3.43, 4.30 A)
&rst
ixpk= 2518, nxpk= 20, iat=1393, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1384,1385,
&end
#
# 85 ARG HE 85 ARG HB+ 5.50 (# 2519:20 Unique 3.43, 4.30 A)
&rst
ixpk= 2519, nxpk= 20, iat=1393, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1384,1385,
&end
#
# 85 ARG HA 85 ARG HB+ 3.50 (# 2520:20 Unique 2.59, 2.81 A)
&rst
ixpk= 2520, nxpk= 20, iat=1382, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1384,1385,
&end
#
# 85 ARG HA 85 ARG HB- 3.50 (# 2521:20 Unique 2.59, 2.81 A)
&rst
ixpk= 2521, nxpk= 20, iat=1382, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1384,1385,
&end
#
# 88 THR HB 85 ARG HB+ 3.80 (# 2523:20 Unique 3.46, 4.18 A)
&rst
ixpk= 2523, nxpk= 20, iat=1444, -1, r1= 0.00, r2= 1.80, r3= 4.27, r4= 5.02,
igr2=1384,1385,
&end
#
# 85 ARG HD+ 85 ARG HB+ 3.50 (# 2524:20 Unique 2.23, 3.31 A)
&rst
ixpk= 2524, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1390,1391,
igr2=1384,1385,
&end
#
# 76 ARG HD+ 78 LYS HD+ 3.50 (# 2526:20 Unique 2.74, 4.80 A)
&rst
ixpk= 2526, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1209,1210,
igr2=1254,1255,
&end
#
# 88 THR MG2 85 ARG HB+ 3.50 (# 2527:20 Unique 1.96, 3.19 A)
&rst
ixpk= 2527, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1446,1447,1448,
igr2=1384,1385,
&end
#
# 88 THR MG2 85 ARG HB- 4.40 (# 2528:20 Unique 1.96, 3.19 A)
&rst
ixpk= 2528, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1446,1447,1448,
igr2=1384,1385,
&end
#
# 88 THR MG2 85 ARG HG+ 4.40 (# 2529:20 Unique 3.55, 5.09 A5)
&rst
ixpk= 2529, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1446,1447,1448,
igr2=1387,1388,
&end
#
# 88 THR MG2 85 ARG HG- 3.50 (# 2530:20 Unique 3.55, 5.09 A)
&rst
ixpk= 2530, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1446,1447,1448,
igr2=1387,1388,
&end
#
# 85 ARG HB+ 85 ARG HG+ 2.60 (# 2531:20 Unique 2.35, 2.59 A)
&rst
ixpk= 2531, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1384,1385,
igr2=1387,1388,
&end
#
# 85 ARG HB+ 85 ARG HG- 2.60 (# 2532:20 Unique 2.35, 2.59 A)
&rst
ixpk= 2532, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1384,1385,
igr2=1387,1388,
&end
#
# 85 ARG HD+ 85 ARG HG- 2.60 (# 2533:20 Unique 2.22, 2.69 A)
&rst
ixpk= 2533, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1390,1391,
igr2=1387,1388,
&end
#
# 85 ARG HD+ 85 ARG HG+ 2.60 (# 2534:20 Unique 2.22, 2.69 A)
&rst
ixpk= 2534, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1390,1391,
igr2=1387,1388,
&end
#
# 84 VAL HA 85 ARG HG- 5.50 (# 2535:20 Unique 4.28, 5.09 A)
&rst
ixpk= 2535, nxpk= 20, iat=1366, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1387,1388,
&end
#
# 84 VAL HA 85 ARG HG+ 5.50 (# 2536:20 Unique 4.28, 5.09 A)
&rst
ixpk= 2536, nxpk= 20, iat=1366, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1387,1388,
&end
#
# 85 ARG HA 85 ARG HG- 2.60 (# 2537:20 Unique 2.70, 3.20 A)
&rst
ixpk= 2537, nxpk= 20, iat=1382, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1387,1388,
&end
#
# 85 ARG HA 85 ARG HG+ 3.50 (# 2538:20 Unique 2.70, 3.20 A)
&rst
ixpk= 2538, nxpk= 20, iat=1382, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1387,1388,
&end
#
# 85 ARG HE 85 ARG HG+ 5.50 (# 2539:20 Unique 2.12, 3.36 A)
&rst
ixpk= 2539, nxpk= 20, iat=1393, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1387,1388,
&end
#
# 85 ARG HE 85 ARG HG- 4.40 (# 2540:20 Unique 2.12, 3.36 A)
&rst
ixpk= 2540, nxpk= 20, iat=1393, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1387,1388,
&end
#
# 85 ARG HN 85 ARG HG+ 3.50 (# 2541:20 Unique 2.99, 3.68 A)
&rst
ixpk= 2541, nxpk= 20, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1387,1388,
&end
#
# 85 ARG HN 85 ARG HG- 3.50 (# 2542:20 Unique 2.99, 3.68 A)
&rst
ixpk= 2542, nxpk= 20, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1387,1388,
&end
#
# 87 ASP HN 85 ARG HG+ 5.50 (# 2543:20 Unique 5.47, 5.53 A)
&rst
ixpk= 2543, nxpk= 20, iat=1428, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1387,1388,
&end
#
# 85 ARG HH2+ 85 ARG HD+ 2.60 (# 2544:20 Unique 4.41, 4.68 A)
&rst
ixpk= 2544, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1399,1400,
igr2=1390,1391,
&end
#
# 85 ARG HA 85 ARG HD+ 2.60 (# 2545:20 Unique 2.09, 2.65 A)
&rst
ixpk= 2545, nxpk= 20, iat=1382, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1390,1391,
&end
#
# 87 ASP HN 85 ARG HD+ 4.40 (# 2546:20 Unique 3.18, 4.00 A)
&rst
ixpk= 2546, nxpk= 20, iat=1428, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1390,1391,
&end
#
# 85 ARG HN 85 ARG HD+ 4.40 (# 2547:20 Unique 4.40, 4.83 A)
&rst
ixpk= 2547, nxpk= 20, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1390,1391,
&end
#
# 86 TRP HN 85 ARG HD+ 3.50 (# 2548:20 Unique 3.41, 4.10 A)
&rst
ixpk= 2548, nxpk= 20, iat=1404, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1390,1391,
&end
#
# 85 ARG HE 85 ARG HD+ 2.60 (# 2549:20 Unique 2.27, 2.59 A)
&rst
ixpk= 2549, nxpk= 20, iat=1393, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1390,1391,
&end
#
# 85 ARG HB+ 85 ARG HD+ 2.60 (# 2550:20 Unique 2.23, 3.31 A)
&rst
ixpk= 2550, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1384,1385,
igr2=1390,1391,
&end
#
# 85 ARG HG+ 85 ARG HD+ 2.60 (# 2551:20 Unique 2.22, 2.69 A)
&rst
ixpk= 2551, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1387,1388,
igr2=1390,1391,
&end
#
# 85 ARG HG- 85 ARG HD+ 2.60 (# 2552:20 Unique 2.22, 2.69 A)
&rst
ixpk= 2552, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1387,1388,
igr2=1390,1391,
&end
#
# 88 THR MG2 85 ARG HD+ 3.50 (# 2553:20 Unique 3.78, 5.54 A)
&rst
ixpk= 2553, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1446,1447,1448,
igr2=1390,1391,
&end
#
# 84 VAL MGX 86 TRP HA 3.50 (# 2554:20 Unique 4.38, 6.61 A)
&rst
ixpk= 2554, nxpk= 20, iat= -1,1406, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1370,1371,1372,1374,1375,1376,
&end
#
# 91 VAL MGX 86 TRP HA 3.50 (# 2555:20 Unique 2.30, 4.21 A)
&rst
ixpk= 2555, nxpk= 20, iat= -1,1406, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1496,1497,1498,1500,1501,1502,
&end
#
# 91 VAL MGY 86 TRP HA 3.50 (# 2556:20 Unique 2.30, 4.21 A)
&rst
ixpk= 2556, nxpk= 20, iat= -1,1406, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1496,1497,1498,1500,1501,1502,
&end
#
# 86 TRP HB- 86 TRP HA 2.60 (# 2557:20 Unique 2.28, 2.63 A)
&rst
ixpk= 2557, nxpk= 20, iat= -1,1406, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1408,1409,
&end
#
# 86 TRP HB+ 86 TRP HA 2.60 (# 2558:20 Unique 2.28, 2.63 A)
&rst
ixpk= 2558, nxpk= 20, iat= -1,1406, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1408,1409,
&end
#
# 86 TRP HD1 86 TRP HA 4.40 (# 2559:20 Unique 4.34, 4.37 A)
&rst
ixpk= 2559, nxpk= 20, iat=1412,1406, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 88 THR HN 86 TRP HA 4.40 (# 2560:20 Unique 3.19, 3.22 A)
&rst
ixpk= 2560, nxpk= 20, iat=1440,1406, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 86 TRP HE3 86 TRP HA 2.60 (# 2561:20 Unique 3.40, 3.46 A)
&rst
ixpk= 2561, nxpk= 20, iat=1423,1406, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 86 TRP HN 86 TRP HA 3.50 (# 2562:20 Unique 2.91, 2.92 A)
&rst
ixpk= 2562, nxpk= 20, iat=1404,1406, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 87 ASP HN 86 TRP HA 3.50 (# 2563:20 Unique 3.36, 3.37 A)
&rst
ixpk= 2563, nxpk= 20, iat=1428,1406, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 86 TRP HE1 86 TRP HA 5.50 (# 2564:20 Unique 5.86, 5.88 A)
&rst
ixpk= 2564, nxpk= 20, iat=1414,1406, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 86 TRP HN 86 TRP HB+ 3.50 (# 2565:20 Unique 2.89, 3.29 A)
&rst
ixpk= 2565, nxpk= 20, iat=1404, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1408,1409,
&end
#
# 86 TRP HN 86 TRP HB- 3.50 (# 2566:20 Unique 2.89, 3.29 A)
&rst
ixpk= 2566, nxpk= 20, iat=1404, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1408,1409,
&end
#
# 86 TRP HE3 86 TRP HB- 4.40 (# 2567:20 Unique 2.47, 3.26 A)
&rst
ixpk= 2567, nxpk= 20, iat=1423, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1408,1409,
&end
#
# 86 TRP HE3 86 TRP HB+ 3.50 (# 2568:20 Unique 2.47, 3.26 A)
&rst
ixpk= 2568, nxpk= 20, iat=1423, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1408,1409,
&end
#
# 86 TRP HD1 86 TRP HB+ 3.50 (# 2569:20 Unique 2.73, 3.30 A)
&rst
ixpk= 2569, nxpk= 20, iat=1412, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1408,1409,
&end
#
# 86 TRP HD1 86 TRP HB- 3.50 (# 2570:20 Unique 2.73, 3.30 A)
&rst
ixpk= 2570, nxpk= 20, iat=1412, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1408,1409,
&end
#
# 85 ARG HA 86 TRP HB+ 4.40 (# 2571:20 Unique 5.05, 5.36 A)
&rst
ixpk= 2571, nxpk= 20, iat=1382, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1408,1409,
&end
#
# 85 ARG HA 86 TRP HB- 4.40 (# 2572:20 Unique 5.05, 5.36 A)
&rst
ixpk= 2572, nxpk= 20, iat=1382, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1408,1409,
&end
#
# 86 TRP HA 86 TRP HB+ 2.60 (# 2573:20 Unique 2.28, 2.63 A)
&rst
ixpk= 2573, nxpk= 20, iat=1406, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1408,1409,
&end
#
# 86 TRP HA 86 TRP HB- 2.60 (# 2574:20 Unique 2.28, 2.63 A)
&rst
ixpk= 2574, nxpk= 20, iat=1406, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1408,1409,
&end
#
# 0 AMB 20-2:2575 0 AMB 20-1:2575 5.50 (# 2575:20 Double Ambig)
&rst
ixpk= 2575, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1494,1384,1385,
igr2=1408,1409,1408,1409,
&end
#
# 87 ASP HN 87 ASP HB+ 3.50 (# 2576:20 Unique 2.12, 2.70 A)
&rst
ixpk= 2576, nxpk= 20, iat=1428, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1432,1433,
&end
#
# 87 ASP HN 87 ASP HB- 3.50 (# 2577:20 Unique 2.12, 2.70 A)
&rst
ixpk= 2577, nxpk= 20, iat=1428, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1432,1433,
&end
#
# 88 THR HN 87 ASP HB+ 4.40 (# 2578:20 Unique 3.92, 4.08 A)
&rst
ixpk= 2578, nxpk= 20, iat=1440, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1432,1433,
&end
#
# 28 PHE HD 28 PHE HB+ 5.50 (# 2579:20 Unique 2.28, 3.04 A)
&rst
ixpk= 2579, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 446, 454,
igr2= 442, 443,
&end
#
# 88 THR HN 87 ASP HB- 5.50 (# 2580:20 Unique 3.92, 4.08 A2.6)
&rst
ixpk= 2580, nxpk= 20, iat=1440, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1432,1433,
&end
#
# 87 ASP HA 87 ASP HB+ 2.60 (# 2581:20 Unique 2.30, 2.83 A)
&rst
ixpk= 2581, nxpk= 20, iat=1430, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1432,1433,
&end
#
# 87 ASP HA 87 ASP HB- 2.60 (# 2582:20 Unique 2.30, 2.83 A)
&rst
ixpk= 2582, nxpk= 20, iat=1430, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1432,1433,
&end
#
# 0 AMB 20-2:2583 0 AMB 20-1:2583 5.50 (# 2583:20 Double Ambig)
&rst
ixpk= 2583, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.17, r4=10.92,
igr1=1442,1406, 604, 605,1937,
igr2=1432,1433,1432,1433, 442, 443, 442, 443,
&end
#
# 89 LYS HN 88 THR HA 2.60 (# 2584:20 Unique 2.89, 2.90 A)
&rst
ixpk= 2584, nxpk= 20, iat=1454,1442, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 88 THR HN 88 THR HA 3.50 (# 2585:20 Unique 2.92, 2.93 A)
&rst
ixpk= 2585, nxpk= 20, iat=1440,1442, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 88 THR HB 88 THR HA 2.60 (# 2587:20 Unique 2.48, 2.50 A)
&rst
ixpk= 2587, nxpk= 20, iat=1444,1442, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 0 AMB 20-2:2588 88 THR HA 4.40 (# 2588:20 Single Ambig)
&rst
ixpk= 2588, nxpk= 20, iat= -1,1442, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1458,1459,1458,1459,1387,1388,
&end
#
# 88 THR MG2 88 THR HA 3.50 (# 2589:20 Unique 3.52, 3.90 A)
&rst
ixpk= 2589, nxpk= 20, iat= -1,1442, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1446,1447,1448,
&end
#
# 88 THR MG2 88 THR HB 2.60 (# 2590:20 Unique 2.23, 2.64 A)
&rst
ixpk= 2590, nxpk= 20, iat= -1,1444, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr1=1446,1447,1448,
&end
#
# 0 AMB 20-2:2591 88 THR HB 3.80 (# 2591:20 Single Ambig)
&rst
ixpk= 2591, nxpk= 20, iat= -1,1444, r1= 0.00, r2= 1.80, r3= 5.12, r4= 5.87,
igr1=1384,1385,1387,1388,1458,1459,
&end
#
# 89 LYS HG+ 88 THR HB 5.50 (# 2593:20 Unique 5.50, 6.14 A)
&rst
ixpk= 2593, nxpk= 20, iat= -1,1444, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1461,1462,
&end
#
# 88 THR HA 88 THR HB 2.60 (# 2594:20 Unique 2.48, 2.50 A)
&rst
ixpk= 2594, nxpk= 20, iat=1442,1444, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 88 THR HN 88 THR HB 3.50 (# 2596:20 Unique 2.88, 3.21 A)
&rst
ixpk= 2596, nxpk= 20, iat=1440,1444, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 89 LYS HN 88 THR HB 4.10 (# 2597:20 Unique 3.34, 3.35 A)
&rst
ixpk= 2597, nxpk= 20, iat=1454,1444, r1= 0.00, r2= 1.80, r3= 4.10, r4= 4.85, &end
#
# 87 ASP HN 88 THR MG2 4.40 (# 2600:20 Unique 3.78, 4.86 A)
&rst
ixpk= 2600, nxpk= 20, iat=1428, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=1446,1447,1448,
&end
#
# 0 AMB 20-2:2601 88 THR MG2 4.40 (# 2601:20 Single Ambig)
&rst
ixpk= 2601, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1490,1380,
igr2=1446,1447,1448,
&end
#
# 89 LYS HN 88 THR MG2 3.10 (# 2602:20 Unique 2.31, 3.03 A)
&rst
ixpk= 2602, nxpk= 20, iat=1454, -1, r1= 0.00, r2= 1.80, r3= 3.72, r4= 4.47,
igr2=1446,1447,1448,
&end
#
# 88 THR HN 88 THR MG2 2.60 (# 2603:20 Unique 2.09, 3.24 A)
&rst
ixpk= 2603, nxpk= 20, iat=1440, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2=1446,1447,1448,
&end
#
# 85 ARG HE 88 THR MG2 4.40 (# 2604:20 Unique 4.23, 6.17 A)
&rst
ixpk= 2604, nxpk= 20, iat=1393, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=1446,1447,1448,
&end
#
# 0 AMB 20-2:2607 88 THR MG2 3.93 (# 2607:20 Single Ambig)
&rst
ixpk= 2607, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1456,1382,
igr2=1446,1447,1448,
&end
#
# 0 AMB 20-2:2608 88 THR MG2 3.50 (# 2608:20 Single Ambig)
&rst
ixpk= 2608, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1442,1406,
igr2=1446,1447,1448,
&end
#
# 88 THR HB 88 THR MG2 2.60 (# 2609:20 Unique 2.23, 2.64 A)
&rst
ixpk= 2609, nxpk= 20, iat=1444, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2=1446,1447,1448,
&end
#
# 91 VAL HA 88 THR MG2 5.50 (# 2611:20 Unique 5.27, 5.92 A)
&rst
ixpk= 2611, nxpk= 20, iat=1492, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1446,1447,1448,
&end
#
# 143 VAL HA 143 VAL MGX 3.50 (# 2612:20 Unique 2.38, 3.53 A)
&rst
ixpk= 2612, nxpk= 20, iat=2354, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 85 ARG HD+ 88 THR MG2 3.50 (# 2613:20 Unique 3.78, 5.54 A)
&rst
ixpk= 2613, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1390,1391,
igr2=1446,1447,1448,
&end
#
# 87 ASP HB- 88 THR MG2 4.40 (# 2614:20 Unique 5.03, 6.06 A)
&rst
ixpk= 2614, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1432,1433,
igr2=1446,1447,1448,
&end
#
# 89 LYS HG- 89 LYS HA 3.50 (# 2617:20 Unique 3.44, 3.71 A)
&rst
ixpk= 2617, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1461,1462,
&end
#
# 89 LYS HG+ 89 LYS HA 3.50 (# 2618:20 Unique 3.44, 3.71 A)
&rst
ixpk= 2618, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1461,1462,
&end
#
# 89 LYS HB+ 89 LYS HA 2.60 (# 2619:20 Unique 2.27, 2.48 A)
&rst
ixpk= 2619, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1458,1459,
&end
#
# 0 AMB 20-2:2620 89 LYS HA 3.60 (# 2620:20 Single Ambig)
&rst
ixpk= 2620, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 4.54, r4= 5.29,
igr1=1480,1481,1483,1484,
&end
#
# 90 PRO HB+ 89 LYS HA 3.80 (# 2621:20 Unique 4.94, 5.35 A)
&rst
ixpk= 2621, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 4.27, r4= 5.02,
igr1=1483,1484,
&end
#
# 0 AMB 20-2:2622 89 LYS HA 5.50 (# 2622:20 Single Ambig)
&rst
ixpk= 2622, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1467,1468,1408,1409,
&end
#
# 90 PRO HD+ 89 LYS HA 4.00 (# 2623:20 Unique 2.49, 2.63 A)
&rst
ixpk= 2623, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 4.49, r4= 5.24,
igr1=1477,1478,
&end
#
# 90 PRO HA 89 LYS HA 2.60 (# 2625:20 Unique 4.39, 4.39 A)
&rst
ixpk= 2625, nxpk= 20, iat=1486,1456, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 89 LYS HN 89 LYS HA 3.00 (# 2626:20 Unique 2.71, 2.72 A)
&rst
ixpk= 2626, nxpk= 20, iat=1454,1456, r1= 0.00, r2= 1.80, r3= 3.00, r4= 3.75, &end
#
# 91 VAL HN 89 LYS HA 5.50 (# 2627:20 Unique 5.27, 5.29 A)
&rst
ixpk= 2627, nxpk= 20, iat=1490,1456, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 164 LYS HN 164 LYS HB- 4.40 (# 2628:20 Unique 2.23, 3.18 A)
&rst
ixpk= 2628, nxpk= 20, iat=2701, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2705,2706,
&end
#
# 125 ARG HA 125 ARG HB- 3.50 (# 2629:20 Unique 2.36, 2.75 A)
&rst
ixpk= 2629, nxpk= 20, iat=2021, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2023,2024,
&end
#
# 0 AMB 20-2:2630 0 AMB 20-1:2630 5.50 (# 2630:20 Double Ambig)
&rst
ixpk= 2630, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=2634,2635,2634,2635,1483,1484,
igr2=2705,2706,1458,1459,
&end
#
# 0 AMB 20-2:2631 0 AMB 20-1:2631 2.60 (# 2631:20 Double Ambig)
&rst
ixpk= 2631, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2026,2027,1461,1462,
igr2=2023,2024,1458,1459,
&end
#
# 89 LYS HG- 89 LYS HB- 2.60 (# 2632:20 Unique 2.32, 2.71 A)
&rst
ixpk= 2632, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1461,1462,
igr2=1458,1459,
&end
#
# 0 AMB 20-2:2633 0 AMB 20-1:2633 2.60 (# 2633:20 Double Ambig)
&rst
ixpk= 2633, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2711,2712,1464,1465,1458,1459,
igr2=2708,2709,1461,1462,1461,1462,
&end
#
# 0 AMB 20-2:2634 89 LYS HG- 2.60 (# 2634:20 Single Ambig)
&rst
ixpk= 2634, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=1464,1465,1458,1459,
igr2=1461,1462,
&end
#
# 89 LYS HE+ 89 LYS HG- 3.50 (# 2635:20 Unique 2.42, 2.89 A)
&rst
ixpk= 2635, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1467,1468,
igr2=1461,1462,
&end
#
# 0 AMB 20-2:2636 0 AMB 20-1:2636 3.50 (# 2636:20 Double Ambig)
&rst
ixpk= 2636, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=2714,2715,1467,1468,
igr2=2708,2709,1461,1462,
&end
#
# 164 LYS HA 164 LYS HG+ 4.40 (# 2637:20 Unique 2.18, 3.62 A)
&rst
ixpk= 2637, nxpk= 20, iat=2703, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2708,2709,
&end
#
# 89 LYS HA 89 LYS HG+ 3.50 (# 2638:20 Unique 3.44, 3.71 A)
&rst
ixpk= 2638, nxpk= 20, iat=1456, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1461,1462,
&end
#
# 89 LYS HA 89 LYS HG- 3.50 (# 2639:20 Unique 3.44, 3.71 A)
&rst
ixpk= 2639, nxpk= 20, iat=1456, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1461,1462,
&end
#
# 90 PRO HA 89 LYS HG- 4.40 (# 2640:20 Unique 3.87, 4.65 A)
&rst
ixpk= 2640, nxpk= 20, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1461,1462,
&end
#
# 90 PRO HA 89 LYS HG+ 4.40 (# 2641:20 Unique 3.87, 4.65 A)
&rst
ixpk= 2641, nxpk= 20, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1461,1462,
&end
#
# 164 LYS HN 164 LYS HG+ 4.40 (# 2642:20 Unique 1.95, 3.16 A)
&rst
ixpk= 2642, nxpk= 20, iat=2701, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2708,2709,
&end
#
# 89 LYS HN 89 LYS HG+ 3.50 (# 2643:20 Unique 3.17, 3.62 A)
&rst
ixpk= 2643, nxpk= 20, iat=1454, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1461,1462,
&end
#
# 89 LYS HN 89 LYS HG- 3.50 (# 2644:20 Unique 3.17, 3.62 A)
&rst
ixpk= 2644, nxpk= 20, iat=1454, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1461,1462,
&end
#
# 0 AMB 20-2:2645 89 LYS HG- 5.50 (# 2645:20 Single Ambig)
&rst
ixpk= 2645, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1490,1506,
igr2=1461,1462,
&end
#
# 89 LYS HA 89 LYS HD+ 3.50 (# 2646:20 Unique 3.94, 4.56 A)
&rst
ixpk= 2646, nxpk= 20, iat=1456, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1464,1465,
&end
#
# 89 LYS HN 89 LYS HD+ 5.50 (# 2648:20 Unique 2.34, 4.72 A)
&rst
ixpk= 2648, nxpk= 20, iat=1454, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1464,1465,
&end
#
# 0 AMB 20-2:2649 0 AMB 20-1:2649 2.60 (# 2649:20 Double Ambig)
&rst
ixpk= 2649, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1467,1468, 984, 985,2714,2715,
igr2=1464,1465, 981, 982,2711,2712,
&end
#
# 0 AMB 20-2:2650 0 AMB 20-1:2650 2.60 (# 2650:20 Double Ambig)
&rst
ixpk= 2650, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2705,2706,1458,1459,
igr2=2711,2712,1464,1465,
&end
#
# 0 AMB 20-2:2652 0 AMB 20-1:2652 2.60 (# 2652:20 Double Ambig)
&rst
ixpk= 2652, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1= 978, 979,1461,1462,
igr2= 981, 982,1464,1465,
&end
#
# 0 AMB 20-2:2653 0 AMB 20-1:2653 2.60 (# 2653:20 Double Ambig)
&rst
ixpk= 2653, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2708,2709,1461,1462,
igr2=2711,2712,1464,1465,
&end
#
# 73 ASN HD2- 149 LYS HE+ 5.50 (# 2654:20 Unique 4.84, 9.48 A)
&rst
ixpk= 2654, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1151,1152,
igr2=2483,2484,
&end
#
# 0 AMB 20-2:2655 0 AMB 20-1:2655 5.50 (# 2655:20 Double Ambig)
&rst
ixpk= 2655, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2352, 993,
igr2=2307,2308, 984, 985,
&end
#
# 91 VAL MGY 90 PRO HA 3.50 (# 2656:20 Unique 3.88, 5.77 A)
&rst
ixpk= 2656, nxpk= 20, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1496,1497,1498,1500,1501,1502,
&end
#
# 89 LYS HG- 90 PRO HA 4.40 (# 2657:20 Unique 3.87, 4.65 A)
&rst
ixpk= 2657, nxpk= 20, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1461,1462,
&end
#
# 0 AMB 20-2:2658 90 PRO HA 3.40 (# 2658:20 Single Ambig)
&rst
ixpk= 2658, nxpk= 20, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 4.28, r4= 5.03,
igr1=1494,1458,1459, 25,
&end
#
# 90 PRO HB- 90 PRO HA 3.50 (# 2659:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2659, nxpk= 20, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1483,1484,
&end
#
# 90 PRO HB+ 90 PRO HA 3.50 (# 2660:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2660, nxpk= 20, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1483,1484,
&end
#
# 0 AMB 20-2:2661 90 PRO HA 5.50 (# 2661:20 Single Ambig)
&rst
ixpk= 2661, nxpk= 20, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1467,1468,1408,1409,
&end
#
# 0 AMB 20-2:2662 90 PRO HA 5.50 (# 2662:20 Single Ambig)
&rst
ixpk= 2662, nxpk= 20, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1477,1478,1408,1409,
&end
#
# 91 VAL HA 90 PRO HA 4.40 (# 2663:20 Unique 4.50, 4.50 A)
&rst
ixpk= 2663, nxpk= 20, iat=1492,1486, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 89 LYS HA 90 PRO HA 2.60 (# 2664:20 Unique 4.39, 4.39 A)
&rst
ixpk= 2664, nxpk= 20, iat=1456,1486, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 91 VAL HN 90 PRO HA 2.60 (# 2666:20 Unique 2.28, 2.29 A)
&rst
ixpk= 2666, nxpk= 20, iat=1490,1486, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 113 MET HN 114 GLN HG+ 4.40 (# 2668:20 Unique 3.74, 4.66 A)
&rst
ixpk= 2668, nxpk= 20, iat=1843, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1867,1868,
&end
#
# 0 AMB 20-2:2669 0 AMB 20-1:2669 4.40 (# 2669:20 Double Ambig)
&rst
ixpk= 2669, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1490,1506,
igr2=1483,1484,1483,1484,
&end
#
# 0 AMB 20-2:2670 90 PRO HB- 4.40 (# 2670:20 Single Ambig)
&rst
ixpk= 2670, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1490,1506,
igr2=1483,1484,
&end
#
# 114 GLN HN 114 GLN HG+ 3.50 (# 2671:20 Unique 2.19, 2.76 A)
&rst
ixpk= 2671, nxpk= 20, iat=1860, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1867,1868,
&end
#
# 159 GLN HN 0 AMB 20-1:2672 2.60 (# 2672:20 Single Ambig)
&rst
ixpk= 2672, nxpk= 20, iat=2627, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr2=2634,2635,2634,2635,
&end
#
# 159 GLN HE2+ 159 GLN HG+ 2.60 (# 2673:20 Unique 2.16, 3.27 A)
&rst
ixpk= 2673, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2639,2640,
igr2=2634,2635,
&end
#
# 114 GLN HE2- 114 GLN HG+ 3.50 (# 2674:20 Unique 2.22, 3.41 A)
&rst
ixpk= 2674, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1872,1873,
igr2=1867,1868,
&end
#
# 159 GLN HE2- 159 GLN HG+ 4.40 (# 2675:20 Unique 2.16, 3.27 A)
&rst
ixpk= 2675, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2639,2640,
igr2=2634,2635,
&end
#
# 159 GLN HE2- 159 GLN HG+ 3.50 (# 2676:20 Unique 2.16, 3.27 A)
&rst
ixpk= 2676, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2639,2640,
igr2=2634,2635,
&end
#
# 90 PRO HA 90 PRO HB- 2.60 (# 2677:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2677, nxpk= 20, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1483,1484,
&end
#
# 89 LYS HA 90 PRO HB- 4.40 (# 2678:20 Unique 4.94, 5.35 A)
&rst
ixpk= 2678, nxpk= 20, iat=1456, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1483,1484,
&end
#
# 89 LYS HA 90 PRO HB+ 3.80 (# 2679:20 Unique 4.94, 5.35 A)
&rst
ixpk= 2679, nxpk= 20, iat=1456, -1, r1= 0.00, r2= 1.80, r3= 4.27, r4= 5.02,
igr2=1483,1484,
&end
#
# 0 AMB 20-2:2680 0 AMB 20-1:2680 2.60 (# 2680:20 Double Ambig)
&rst
ixpk= 2680, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=2582,2646,2629,
igr2=2634,2635,2634,2635,2634,2635,
&end
#
# 0 AMB 20-2:2681 0 AMB 20-1:2681 3.50 (# 2681:20 Double Ambig)
&rst
ixpk= 2681, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1477,1478,2566,
igr2=1483,1484,2634,2635,
&end
#
# 90 PRO HD+ 90 PRO HB- 3.50 (# 2682:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2682, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1477,1478,
igr2=1483,1484,
&end
#
# 0 AMB 20-2:2683 0 AMB 20-1:2683 2.60 (# 2683:20 Double Ambig)
&rst
ixpk= 2683, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1480,1481,2612,2613,
igr2=1483,1484,2634,2635,
&end
#
# 90 PRO HG- 90 PRO HB- 2.60 (# 2684:20 Unique 2.32, 2.58 A)
&rst
ixpk= 2684, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1480,1481,
igr2=1483,1484,
&end
#
# 0 AMB 20-2:2685 90 PRO HB- 3.50 (# 2685:20 Single Ambig)
&rst
ixpk= 2685, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 34, 35, 36, 27, 28, 29,
igr2=1483,1484,
&end
#
# 91 VAL MGY 90 PRO HB- 5.50 (# 2686:20 Unique 5.80, 7.40 A)
&rst
ixpk= 2686, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1496,1497,1498,1500,1501,1502,
igr2=1483,1484,
&end
#
# 0 AMB 20-2:2687 0 AMB 20-1:2687 2.60 (# 2687:20 Double Ambig)
&rst
ixpk= 2687, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2570,2571,2572,2574,2575,2576,2617,2618,2619,2621,
2622,2623,
igr2=2634,2635,2634,2635,2634,2635,
&end
#
# 2 ILE QD1 90 PRO HG+ 4.40 (# 2688:20 Unique 3.18, 4.74 A)
&rst
ixpk= 2688, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 34, 35, 36,
igr2=1480,1481,
&end
#
# 2 ILE QD1 90 PRO HG- 3.50 (# 2689:20 Unique 3.18, 4.74 A)
&rst
ixpk= 2689, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 34, 35, 36,
igr2=1480,1481,
&end
#
# 90 PRO HB+ 90 PRO HG- 3.50 (# 2690:20 Unique 2.32, 2.58 A)
&rst
ixpk= 2690, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1483,1484,
igr2=1480,1481,
&end
#
# 90 PRO HB+ 90 PRO HG+ 2.60 (# 2691:20 Unique 2.32, 2.58 A)
&rst
ixpk= 2691, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1483,1484,
igr2=1480,1481,
&end
#
# 90 PRO HD+ 90 PRO HG+ 2.60 (# 2692:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2692, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1477,1478,
igr2=1480,1481,
&end
#
# 90 PRO HD+ 90 PRO HG- 2.60 (# 2693:20 Unique 2.30, 2.58 A)
&rst
ixpk= 2693, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1477,1478,
igr2=1480,1481,
&end
#
# 0 AMB 20-2:2694 0 AMB 20-1:2694 4.40 (# 2694:20 Double Ambig)
&rst
ixpk= 2694, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1490,1506,
igr2=1480,1481,1480,1481,
&end
#
# 90 PRO HA 90 PRO HG+ 4.40 (# 2695:20 Unique 3.85, 3.94 A)
&rst
ixpk= 2695, nxpk= 20, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1480,1481,
&end
#
# 90 PRO HA 90 PRO HG- 4.40 (# 2696:20 Unique 3.85, 3.94 A)
&rst
ixpk= 2696, nxpk= 20, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1480,1481,
&end
#
# 91 VAL MGX 91 VAL HA 2.60 (# 2699:20 Unique 2.37, 3.50 A)
&rst
ixpk= 2699, nxpk= 20, iat= -1,1492, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1496,1497,1498,1500,1501,1502,
&end
#
# 2 ILE QD1 91 VAL HA 3.80 (# 2700:20 Unique 3.04, 3.98 A)
&rst
ixpk= 2700, nxpk= 20, iat= -1,1492, r1= 0.00, r2= 1.80, r3= 4.56, r4= 5.31,
igr1= 34, 35, 36,
&end
#
# 91 VAL MGY 91 VAL HA 2.60 (# 2701:20 Unique 2.37, 3.50 A)
&rst
ixpk= 2701, nxpk= 20, iat= -1,1492, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1496,1497,1498,1500,1501,1502,
&end
#
# 91 VAL HB 91 VAL HA 3.50 (# 2702:20 Unique 2.40, 2.42 A)
&rst
ixpk= 2702, nxpk= 20, iat=1494,1492, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 92 CYS HB- 91 VAL HA 4.40 (# 2703:20 Unique 4.30, 5.00 A)
&rst
ixpk= 2703, nxpk= 20, iat= -1,1492, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1510,1511,
&end
#
# 0 AMB 20-2:2704 91 VAL HA 2.60 (# 2704:20 Single Ambig)
&rst
ixpk= 2704, nxpk= 20, iat= -1,1492, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1506,1490,
&end
#
# 91 VAL MGX 91 VAL HB 2.60 (# 2705:20 Unique 2.31, 2.63 A)
&rst
ixpk= 2705, nxpk= 20, iat= -1,1494, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1496,1497,1498,1500,1501,1502,
&end
#
# 91 VAL MGY 91 VAL HB 2.60 (# 2706:20 Unique 2.31, 2.63 A)
&rst
ixpk= 2706, nxpk= 20, iat= -1,1494, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1496,1497,1498,1500,1501,1502,
&end
#
# 91 VAL HA 91 VAL HB 3.50 (# 2707:20 Unique 2.40, 2.42 A)
&rst
ixpk= 2707, nxpk= 20, iat=1492,1494, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 90 PRO HA 91 VAL HB 5.50 (# 2708:20 Unique 4.89, 4.92 A)
&rst
ixpk= 2708, nxpk= 20, iat=1486,1494, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 93 ILE QG2 91 VAL HB 5.50 (# 2710:20 Unique 6.79, 7.68 A)
&rst
ixpk= 2710, nxpk= 20, iat= -1,1494, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1523,1524,1525,
&end
#
# 0 AMB 20-2:2711 91 VAL HB 3.50 (# 2711:20 Single Ambig)
&rst
ixpk= 2711, nxpk= 20, iat= -1,1494, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1490,1506,
&end
#
# 0 AMB 20-2:2712 91 VAL MGX 4.40 (# 2712:20 Single Ambig)
&rst
ixpk= 2712, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1517,1428,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 0 AMB 20-2:2713 91 VAL MGX 2.60 (# 2713:20 Single Ambig)
&rst
ixpk= 2713, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=1490,1506,1380,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 86 TRP HN 91 VAL MGX 4.40 (# 2714:20 Unique 3.75, 5.54 A)
&rst
ixpk= 2714, nxpk= 20, iat=1404, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 86 TRP HE3 91 VAL MGX 3.50 (# 2715:20 Unique 2.69, 4.30 A)
&rst
ixpk= 2715, nxpk= 20, iat=1423, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 86 TRP HZ3 91 VAL MGX 3.50 (# 2716:20 Unique 3.19, 4.82 A)
&rst
ixpk= 2716, nxpk= 20, iat=1421, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 86 TRP HA 91 VAL MGX 3.50 (# 2718:20 Unique 2.30, 4.21 A)
&rst
ixpk= 2718, nxpk= 20, iat=1406, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 0 AMB 20-2:2719 91 VAL MGX 4.40 (# 2719:20 Single Ambig)
&rst
ixpk= 2719, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1382,1456,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 91 VAL HA 91 VAL MGX 2.60 (# 2720:20 Unique 2.37, 3.50 A)
&rst
ixpk= 2720, nxpk= 20, iat=1492, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 0 AMB 20-2:2721 91 VAL MGX 3.50 (# 2721:20 Single Ambig)
&rst
ixpk= 2721, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1366,1408,1409,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 0 AMB 20-2:2722 91 VAL MGX 5.50 (# 2722:20 Single Ambig)
&rst
ixpk= 2722, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1408,1409,1467,1468,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 91 VAL HB 91 VAL MGX 2.60 (# 2723:20 Unique 2.31, 2.63 A)
&rst
ixpk= 2723, nxpk= 20, iat=1494, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 84 VAL HB 91 VAL MGX 4.40 (# 2724:20 Unique 4.06, 5.07 A)
&rst
ixpk= 2724, nxpk= 20, iat=1368, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 0 AMB 20-2:2725 91 VAL MGX 5.50 (# 2725:20 Single Ambig)
&rst
ixpk= 2725, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 31, 32,1270,1271,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 84 VAL MGY 91 VAL MGX 3.50 (# 2727:20 Unique 1.88, 4.48 A)
&rst
ixpk= 2727, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1370,1371,1372,1374,1375,1376,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 93 ILE QG2 91 VAL MGX 2.60 (# 2728:20 Unique 4.05, 6.13 A)
&rst
ixpk= 2728, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=1523,1524,1525,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 84 VAL MGX 91 VAL MGX 2.60 (# 2729:20 Unique 1.88, 4.48 A)
&rst
ixpk= 2729, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1370,1371,1372,1374,1375,1376,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 84 VAL MGX 91 VAL MGY 3.50 (# 2733:20 Unique 1.88, 4.48 A)
&rst
ixpk= 2733, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1370,1371,1372,1374,1375,1376,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 101 LEU MDY 154 VAL MGX 2.60 (# 2735:20 Unique 1.99, 5.19 A)
&rst
ixpk= 2735, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1674,1675,1676,1678,1679,1680,
igr2=2554,2555,2556,2558,2559,2560,
&end
#
# 0 AMB 20-2:2736 0 AMB 20-1:2736 2.60 (# 2736:20 Double Ambig)
&rst
ixpk= 2736, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2237,2238,2239,2241,2242,2243,1523,1524,1525,
igr2=2180,2181,2182,2184,2185,2186,1496,1497,1498,1500,
1501,1502,
&end
#
# 0 AMB 20-2:2738 154 VAL MGX 2.60 (# 2738:20 Single Ambig)
&rst
ixpk= 2738, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1087,1088,1089,1068,1069,
igr2=2554,2555,2556,2558,2559,2560,
&end
#
# 0 AMB 20-2:2739 0 AMB 20-1:2739 3.50 (# 2739:20 Double Ambig)
&rst
ixpk= 2739, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.84, r4= 8.59,
igr1=2396,2397,1494,2612,2613,2323,2324,
igr2=2180,2181,2182,2184,2185,2186,1496,1497,1498,1500,
1501,1502,2554,2555,2556,2558,2559,2560,
&end
#
# 0 AMB 20-2:2740 0 AMB 20-1:2740 2.60 (# 2740:20 Double Ambig)
&rst
ixpk= 2740, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2552,2393,2394,
igr2=2554,2555,2556,2558,2559,2560,2180,2181,2182,2184,
2185,2186,
&end
#
# 133 VAL HB 133 VAL MGX 2.60 (# 2741:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2741, nxpk= 20, iat=2178, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2180,2181,2182,2184,2185,2186,
&end
#
# 0 AMB 20-2:2742 91 VAL MGY 4.40 (# 2742:20 Single Ambig)
&rst
ixpk= 2742, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1=1408,1409,1467,1468,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 0 AMB 20-2:2743 0 AMB 20-1:2743 3.50 (# 2743:20 Double Ambig)
&rst
ixpk= 2743, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=2511,2512, 114, 115,
igr2=2554,2555,2556,2558,2559,2560,1496,1497,1498,1500,
1501,1502,
&end
#
# 0 AMB 20-2:2744 0 AMB 20-1:2744 3.50 (# 2744:20 Double Ambig)
&rst
ixpk= 2744, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2176,1366,
igr2=2180,2181,2182,2184,2185,2186,1496,1497,1498,1500,
1501,1502,
&end
#
# 0 AMB 20-2:2745 0 AMB 20-1:2745 2.60 (# 2745:20 Double Ambig)
&rst
ixpk= 2745, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=2550,1492,
igr2=2554,2555,2556,2558,2559,2560,1496,1497,1498,1500,
1501,1502,
&end
#
# 86 TRP HA 91 VAL MGY 3.50 (# 2746:20 Unique 2.30, 4.21 A)
&rst
ixpk= 2746, nxpk= 20, iat=1406, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 130 TRP HA 133 VAL MGX 3.50 (# 2747:20 Unique 1.99, 3.76 A)
&rst
ixpk= 2747, nxpk= 20, iat=2117, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2180,2181,2182,2184,2185,2186,
&end
#
# 151 PHE HA 154 VAL MGX 3.50 (# 2748:20 Unique 2.16, 4.83 A)
&rst
ixpk= 2748, nxpk= 20, iat=2509, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2554,2555,2556,2558,2559,2560,
&end
#
# 90 PRO HA 91 VAL MGY 3.50 (# 2749:20 Unique 3.88, 5.77 A)
&rst
ixpk= 2749, nxpk= 20, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 0 AMB 20-2:2751 154 VAL MGX 4.40 (# 2751:20 Single Ambig)
&rst
ixpk= 2751, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1=2515,2523,1715,1716,
igr2=2554,2555,2556,2558,2559,2560,
&end
#
# 154 VAL HN 154 VAL MGX 2.60 (# 2752:20 Unique 1.76, 3.61 A)
&rst
ixpk= 2752, nxpk= 20, iat=2548, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2554,2555,2556,2558,2559,2560,
&end
#
# 86 TRP HE3 91 VAL MGY 3.50 (# 2753:20 Unique 2.69, 4.30 A)
&rst
ixpk= 2753, nxpk= 20, iat=1423, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 0 AMB 20-2:2754 91 VAL MGY 2.60 (# 2754:20 Single Ambig)
&rst
ixpk= 2754, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1490,1506,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 0 AMB 20-2:2755 0 AMB 20-1:2755 4.40 (# 2755:20 Double Ambig)
&rst
ixpk= 2755, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1=2329,2537,
igr2=2180,2181,2182,2184,2185,2186,2554,2555,2556,2558,
2559,2560,
&end
#
# 0 AMB 20-2:2756 91 VAL MGY 4.40 (# 2756:20 Single Ambig)
&rst
ixpk= 2756, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1517,1428,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 2 ILE QD1 92 CYS HB+ 3.50 (# 2757:20 Unique 2.24, 3.99 A)
&rst
ixpk= 2757, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 34, 35, 36,
igr2=1510,1511,
&end
#
# 2 ILE QD1 92 CYS HB- 4.40 (# 2758:20 Unique 2.24, 3.99 A)
&rst
ixpk= 2758, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 34, 35, 36,
igr2=1510,1511,
&end
#
# 91 VAL HA 92 CYS HB+ 5.50 (# 2759:20 Unique 4.30, 5.00 A)
&rst
ixpk= 2759, nxpk= 20, iat=1492, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1510,1511,
&end
#
# 91 VAL HA 92 CYS HB- 5.50 (# 2760:20 Unique 4.30, 5.00 A)
&rst
ixpk= 2760, nxpk= 20, iat=1492, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1510,1511,
&end
#
# 0 AMB 20-2:2763 0 AMB 20-1:2763 3.50 (# 2763:20 Double Ambig)
&rst
ixpk= 2763, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 104,1506,
igr2=1510,1511,1510,1511,
&end
#
# 0 AMB 20-2:2764 92 CYS HB- 3.50 (# 2764:20 Single Ambig)
&rst
ixpk= 2764, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 104,1506,
igr2=1510,1511,
&end
#
# 93 ILE HN 92 CYS HB+ 5.50 (# 2765:20 Unique 2.93, 3.57 A)
&rst
ixpk= 2765, nxpk= 20, iat=1517, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1510,1511,
&end
#
# 52 ARG HN 52 ARG HA 3.50 (# 2766:20 Unique 2.81, 2.83 A)
&rst
ixpk= 2766, nxpk= 20, iat= 786, 788, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 84 VAL MGY 93 ILE HA 2.60 (# 2767:20 Unique 3.05, 4.29 A)
&rst
ixpk= 2767, nxpk= 20, iat= -1,1519, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1370,1371,1372,1374,1375,1376,
&end
#
# 0 AMB 20-2:2768 93 ILE HA 3.50 (# 2768:20 Single Ambig)
&rst
ixpk= 2768, nxpk= 20, iat= -1,1519, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1527,1528,1530,1531,1532,
&end
#
# 93 ILE QG2 93 ILE HA 2.60 (# 2769:20 Unique 2.56, 3.03 A)
&rst
ixpk= 2769, nxpk= 20, iat= -1,1519, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr1=1523,1524,1525,
&end
#
# 84 VAL MGX 93 ILE HA 3.50 (# 2770:20 Unique 3.05, 4.29 A)
&rst
ixpk= 2770, nxpk= 20, iat= -1,1519, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1370,1371,1372,1374,1375,1376,
&end
#
# 0 AMB 20-2:2771 0 AMB 20-1:2771 5.50 (# 2771:20 Double Ambig)
&rst
ixpk= 2771, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1519, 788,
igr2=1527,1528, 834, 835, 836, 838, 839, 840,
&end
#
# 0 AMB 20-2:2772 0 AMB 20-1:2772 2.60 (# 2772:20 Double Ambig)
&rst
ixpk= 2772, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 185, 186, 187,1527,1528,
igr2= 192, 193, 194,1530,1531,1532,
&end
#
# 0 AMB 20-2:2773 0 AMB 20-1:2773 5.50 (# 2773:20 Double Ambig)
&rst
ixpk= 2773, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1640,1555,1556,
igr2= 192, 193, 194,1530,1531,1532,
&end
#
# 93 ILE HN 93 ILE QG2 3.50 (# 2774:20 Unique 2.39, 3.40 A)
&rst
ixpk= 2774, nxpk= 20, iat=1517, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1523,1524,1525,
&end
#
# 0 AMB 20-2:2775 93 ILE QG2 4.40 (# 2775:20 Single Ambig)
&rst
ixpk= 2775, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1506,1490, 104,1380,
igr2=1523,1524,1525,
&end
#
# 79 LEU HN 93 ILE QG2 5.50 (# 2776:20 Unique 7.11, 8.03 A)
&rst
ixpk= 2776, nxpk= 20, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1523,1524,1525,
&end
#
# 0 AMB 20-2:2777 93 ILE QG2 4.40 (# 2777:20 Single Ambig)
&rst
ixpk= 2777, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1423,1536,
igr2=1523,1524,1525,
&end
#
# 86 TRP HZ2 93 ILE QG2 5.50 (# 2778:20 Unique 4.39, 5.38 A)
&rst
ixpk= 2778, nxpk= 20, iat=1417, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1523,1524,1525,
&end
#
# 86 TRP HZ3 93 ILE QG2 4.40 (# 2779:20 Unique 1.99, 2.43 A)
&rst
ixpk= 2779, nxpk= 20, iat=1421, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=1523,1524,1525,
&end
#
# 126 TRP HA 127 VAL MGX 4.40 (# 2780:20 Unique 3.31, 4.79 A)
&rst
ixpk= 2780, nxpk= 20, iat=2045, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 93 ILE HA 93 ILE QG2 2.60 (# 2781:20 Unique 2.56, 3.03 A)
&rst
ixpk= 2781, nxpk= 20, iat=1519, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2=1523,1524,1525,
&end
#
# 6 GLY HA+ 93 ILE QG2 3.50 (# 2782:20 Unique 3.86, 5.58 A)
&rst
ixpk= 2782, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 78, 79,
igr2=1523,1524,1525,
&end
#
# 6 GLY HA- 93 ILE QG2 3.50 (# 2783:20 Unique 3.86, 5.58 A)
&rst
ixpk= 2783, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 78, 79,
igr2=1523,1524,1525,
&end
#
# 0 AMB 20-2:2784 93 ILE QG2 4.40 (# 2784:20 Single Ambig)
&rst
ixpk= 2784, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=1366,1408,1409,
igr2=1523,1524,1525,
&end
#
# 93 ILE HB 93 ILE QG2 2.60 (# 2785:20 Unique 2.33, 2.63 A)
&rst
ixpk= 2785, nxpk= 20, iat=1521, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2=1523,1524,1525,
&end
#
# 93 ILE HG1- 93 ILE QG2 2.60 (# 2786:20 Unique 2.79, 3.63 A)
&rst
ixpk= 2786, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1527,1528,
igr2=1523,1524,1525,
&end
#
# 84 VAL MGX 93 ILE QG2 2.60 (# 2787:20 Unique 3.22, 5.73 A)
&rst
ixpk= 2787, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=1370,1371,1372,1374,1375,1376,
igr2=1523,1524,1525,
&end
#
# 91 VAL MGX 93 ILE QG2 2.60 (# 2788:20 Unique 4.05, 6.13 A)
&rst
ixpk= 2788, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=1496,1497,1498,1500,1501,1502,
igr2=1523,1524,1525,
&end
#
# 0 AMB 20-2:2789 0 AMB 20-1:2789 5.50 (# 2789:20 Double Ambig)
&rst
ixpk= 2789, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.64, r4=12.39,
igr1=2098,2099,2119,2120,1999,2000, 237, 238,1286,1287,
igr2=2073,2074,2075,2077,2078,2079,1523,1524,1525,
&end
#
# 0 AMB 20-2:2790 127 VAL MGX 3.50 (# 2790:20 Single Ambig)
&rst
ixpk= 2790, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2143,2144,2029,2030,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 0 AMB 20-2:2791 127 VAL MGX 3.50 (# 2791:20 Single Ambig)
&rst
ixpk= 2791, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 364,2147,2156,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 94 GLY HN 94 GLY HA+ 5.50 (# 2792:20 Unique 2.61, 2.79 A)
&rst
ixpk= 2792, nxpk= 20, iat=1536, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1538,1539,
&end
#
# 94 GLY HN 94 GLY HA- 4.40 (# 2793:20 Unique 2.61, 2.79 A)
&rst
ixpk= 2793, nxpk= 20, iat=1536, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1538,1539,
&end
#
# 0 AMB 20-2:2794 0 AMB 20-1:2794 5.50 (# 2794:20 Double Ambig)
&rst
ixpk= 2794, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1251,1252,1547,1548,
igr2=1538,1539,1538,1539,
&end
#
# 79 LEU HG 94 GLY HA+ 5.50 (# 2795:20 Unique 3.84, 4.74 A)
&rst
ixpk= 2795, nxpk= 20, iat=1273, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1538,1539,
&end
#
# 79 LEU HG 94 GLY HA- 5.50 (# 2796:20 Unique 3.84, 4.74 A)
&rst
ixpk= 2796, nxpk= 20, iat=1273, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1538,1539,
&end
#
# 0 AMB 20-2:2797 0 AMB 20-1:2797 3.50 (# 2797:20 Double Ambig)
&rst
ixpk= 2797, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=2570,2571,2572,2574,2575,2576,2617,2618,2619,2621,
2622,2623,
igr2= 301, 302, 301, 302,
&end
#
# 79 LEU MDX 94 GLY HA+ 5.50 (# 2798:20 Unique 3.24, 5.88 A)
&rst
ixpk= 2798, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1275,1276,1277,1279,1280,1281,
igr2=1538,1539,
&end
#
# 95 GLN HB- 95 GLN HA 4.40 (# 2799:20 Unique 2.23, 2.46 A)
&rst
ixpk= 2799, nxpk= 20, iat= -1,1545, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1547,1548,
&end
#
# 0 AMB 20-2:2800 95 GLN HA 3.50 (# 2800:20 Single Ambig)
&rst
ixpk= 2800, nxpk= 20, iat= -1,1545, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1547,1548, 108, 109,
&end
#
# 0 AMB 20-2:2801 95 GLN HA 3.50 (# 2801:20 Single Ambig)
&rst
ixpk= 2801, nxpk= 20, iat= -1,1545, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1550,1551,1209,1210,
&end
#
# 95 GLN HG+ 95 GLN HA 5.50 (# 2802:20 Unique 3.25, 3.78 A)
&rst
ixpk= 2802, nxpk= 20, iat= -1,1545, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1550,1551,
&end
#
# 8 ARG HN 95 GLN HA 3.50 (# 2803:20 Unique 2.41, 2.54 A)
&rst
ixpk= 2803, nxpk= 20, iat= 104,1545, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 LYS HN 95 GLN HA 2.60 (# 2804:20 Unique 2.23, 2.31 A)
&rst
ixpk= 2804, nxpk= 20, iat=1560,1545, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 0 AMB 20-2:2805 95 GLN HB- 3.50 (# 2805:20 Single Ambig)
&rst
ixpk= 2805, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1550,1551,1209,1210,
igr2=1547,1548,
&end
#
# 95 GLN HA 95 GLN HB+ 4.40 (# 2806:20 Unique 2.23, 2.46 A)
&rst
ixpk= 2806, nxpk= 20, iat=1545, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1547,1548,
&end
#
# 95 GLN HA 95 GLN HB- 5.50 (# 2807:20 Unique 2.23, 2.46 A)
&rst
ixpk= 2807, nxpk= 20, iat=1545, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1547,1548,
&end
#
# 0 AMB 20-2:2808 0 AMB 20-1:2808 3.50 (# 2808:20 Double Ambig)
&rst
ixpk= 2808, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
igr1=1419,1364, 773, 782, 644, 645, 446, 454,
igr2=1303,1304,1303,1304, 817, 818,1934,1935,
&end
#
# 95 GLN HN 95 GLN HB- 5.50 (# 2809:20 Unique 2.70, 3.36 A)
&rst
ixpk= 2809, nxpk= 20, iat=1543, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1547,1548,
&end
#
# 0 AMB 20-2:2810 0 AMB 20-1:2810 3.50 (# 2810:20 Double Ambig)
&rst
ixpk= 2810, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1594,1595,1555,1556,
igr2=1550,1551,1550,1551,
&end
#
# 95 GLN HA 95 GLN HG+ 4.40 (# 2811:20 Unique 3.25, 3.78 A)
&rst
ixpk= 2811, nxpk= 20, iat=1545, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1550,1551,
&end
#
# 95 GLN HB- 95 GLN HG+ 2.60 (# 2812:20 Unique 2.21, 2.66 A)
&rst
ixpk= 2812, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1547,1548,
igr2=1550,1551,
&end
#
# 96 LYS HG+ 96 LYS HA 5.50 (# 2814:20 Unique 2.35, 3.19 A)
&rst
ixpk= 2814, nxpk= 20, iat= -1,1562, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1567,1568,
&end
#
# 96 LYS HD+ 96 LYS HA 5.50 (# 2815:20 Unique 3.70, 4.56 A)
&rst
ixpk= 2815, nxpk= 20, iat= -1,1562, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1570,1571,
&end
#
# 0 AMB 20-2:2816 96 LYS HA 5.50 (# 2816:20 Single Ambig)
&rst
ixpk= 2816, nxpk= 20, iat= -1,1562, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1203,1204,1564,1565,
&end
#
# 76 ARG HA 96 LYS HA 4.40 (# 2817:20 Unique 1.98, 4.12 A)
&rst
ixpk= 2817, nxpk= 20, iat=1201,1562, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 96 LYS HN 96 LYS HA 5.50 (# 2819:20 Unique 2.95, 2.95 A)
&rst
ixpk= 2819, nxpk= 20, iat=1560,1562, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 97 GLN HN 96 LYS HA 3.50 (# 2820:20 Unique 2.16, 2.22 A)
&rst
ixpk= 2820, nxpk= 20, iat=1582,1562, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:2821 0 AMB 20-1:2821 5.50 (# 2821:20 Double Ambig)
&rst
ixpk= 2821, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1156, 40,1142,
igr2=1564,1565,1564,1565,1564,1565,
&end
#
# 96 LYS HA 96 LYS HB+ 5.50 (# 2822:20 Unique 2.35, 2.64 A)
&rst
ixpk= 2822, nxpk= 20, iat=1562, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1564,1565,
&end
#
# 9 PRO HB+ 96 LYS HB- 5.50 (# 2823:20 Unique 3.15, 5.13 A)
&rst
ixpk= 2823, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 135, 136,
igr2=1564,1565,
&end
#
# 0 AMB 20-2:2824 0 AMB 20-1:2824 5.50 (# 2824:20 Double Ambig)
&rst
ixpk= 2824, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1570,1571,1206,1207,
igr2=1564,1565,1564,1565,
&end
#
# 0 AMB 20-2:2825 96 LYS HB- 4.40 (# 2825:20 Single Ambig)
&rst
ixpk= 2825, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1570,1571,1206,1207,
igr2=1564,1565,
&end
#
# 0 AMB 20-2:2827 96 LYS HG- 3.50 (# 2827:20 Single Ambig)
&rst
ixpk= 2827, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1206,1207,1570,1571,
igr2=1567,1568,
&end
#
# 76 ARG HD- 96 LYS HG- 5.50 (# 2828:20 Unique 2.00, 5.20 A)
&rst
ixpk= 2828, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1209,1210,
igr2=1567,1568,
&end
#
# 0 AMB 20-2:2829 97 GLN HA 4.40 (# 2829:20 Single Ambig)
&rst
ixpk= 2829, nxpk= 20, iat= -1,1584, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1603,1604,2358,2359,2360,2362,2363,2364,
&end
#
# 97 GLN HB- 97 GLN HA 3.50 (# 2830:20 Unique 2.50, 2.82 A)
&rst
ixpk= 2830, nxpk= 20, iat= -1,1584, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1586,1587,
&end
#
# 97 GLN HG+ 97 GLN HA 4.40 (# 2831:20 Unique 2.04, 2.68 A)
&rst
ixpk= 2831, nxpk= 20, iat= -1,1584, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1589,1590,
&end
#
# 0 AMB 20-2:2832 97 GLN HA 4.40 (# 2832:20 Single Ambig)
&rst
ixpk= 2832, nxpk= 20, iat= -1,1584, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 158, 144,
&end
#
# 0 AMB 20-2:2833 97 GLN HA 4.40 (# 2833:20 Single Ambig)
&rst
ixpk= 2833, nxpk= 20, iat= -1,1584, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr1=1594,1595,1640,
&end
#
# 98 LYS HN 97 GLN HA 2.60 (# 2834:20 Unique 2.14, 2.15 A)
&rst
ixpk= 2834, nxpk= 20, iat=1599,1584, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 10 ASN HN 97 GLN HA 4.40 (# 2835:20 Unique 3.11, 3.44 A)
&rst
ixpk= 2835, nxpk= 20, iat= 142,1584, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 97 GLN HN 97 GLN HA 4.40 (# 2836:20 Unique 2.94, 2.94 A)
&rst
ixpk= 2836, nxpk= 20, iat=1582,1584, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 98 LYS HB- 98 LYS HA 4.40 (# 2838:20 Unique 2.33, 2.74 A)
&rst
ixpk= 2838, nxpk= 20, iat= -1,1601, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1603,1604,
&end
#
# 98 LYS HG+ 98 LYS HA 5.50 (# 2839:20 Unique 2.27, 3.16 A)
&rst
ixpk= 2839, nxpk= 20, iat= -1,1601, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1606,1607,
&end
#
# 98 LYS HB+ 98 LYS HA 3.50 (# 2840:20 Unique 2.33, 2.74 A)
&rst
ixpk= 2840, nxpk= 20, iat= -1,1601, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1603,1604,
&end
#
# 99 TRP HN 98 LYS HA 3.50 (# 2841:20 Unique 2.14, 2.14 A)
&rst
ixpk= 2841, nxpk= 20, iat=1621,1601, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 98 LYS HN 98 LYS HB+ 5.50 (# 2842:20 Unique 2.33, 2.87 A)
&rst
ixpk= 2842, nxpk= 20, iat=1599, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1603,1604,
&end
#
# 99 TRP HN 98 LYS HB+ 5.50 (# 2843:20 Unique 3.25, 4.14 A)
&rst
ixpk= 2843, nxpk= 20, iat=1621, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1603,1604,
&end
#
# 74 TRP HH2 98 LYS HB+ 5.50 (# 2844:20 Unique 2.37, 4.09 A)
&rst
ixpk= 2844, nxpk= 20, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1603,1604,
&end
#
# 98 LYS HA 98 LYS HB+ 4.40 (# 2845:20 Unique 2.33, 2.74 A)
&rst
ixpk= 2845, nxpk= 20, iat=1601, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1603,1604,
&end
#
# 98 LYS HE- 98 LYS HB+ 5.50 (# 2846:20 Unique 2.08, 3.82 A)
&rst
ixpk= 2846, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1612,1613,
igr2=1603,1604,
&end
#
# 0 AMB 20-2:2847 0 AMB 20-1:2847 4.40 (# 2847:20 Double Ambig)
&rst
ixpk= 2847, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.25, r4= 8.00,
igr1= 700, 701, 702, 626, 627,
igr2=1603,1604,1603,1604,
&end
#
# 11 VAL MGY 98 LYS HB+ 3.50 (# 2848:20 Unique 1.97, 4.54 A)
&rst
ixpk= 2848, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 162, 163, 164, 166, 167, 168,
igr2=1603,1604,
&end
#
# 0 AMB 20-2:2849 0 AMB 20-1:2849 5.50 (# 2849:20 Double Ambig)
&rst
ixpk= 2849, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
igr1=1609,1610, 162, 163, 164, 166, 167, 168,
igr2=1603,1604,1603,1604,
&end
#
# 98 LYS HG+ 98 LYS HB+ 3.50 (# 2850:20 Unique 2.21, 2.66 A)
&rst
ixpk= 2850, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1606,1607,
igr2=1603,1604,
&end
#
# 98 LYS HG- 98 LYS HB- 3.50 (# 2851:20 Unique 2.21, 2.66 A)
&rst
ixpk= 2851, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1606,1607,
igr2=1603,1604,
&end
#
# 0 AMB 20-2:2852 98 LYS HB- 5.50 (# 2852:20 Single Ambig)
&rst
ixpk= 2852, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1609,1610, 162, 163, 164, 166, 167, 168,
igr2=1603,1604,
&end
#
# 98 LYS HD+ 98 LYS HB- 5.50 (# 2853:20 Unique 1.94, 3.20 A)
&rst
ixpk= 2853, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1609,1610,
igr2=1603,1604,
&end
#
# 46 ALA MB 98 LYS HB- 4.40 (# 2854:20 Unique 2.40, 4.72 A)
&rst
ixpk= 2854, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 700, 701, 702,
igr2=1603,1604,
&end
#
# 98 LYS HE+ 98 LYS HB- 5.50 (# 2855:20 Unique 2.08, 3.82 A)
&rst
ixpk= 2855, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1612,1613,
igr2=1603,1604,
&end
#
# 98 LYS HA 98 LYS HB- 4.40 (# 2856:20 Unique 2.33, 2.74 A)
&rst
ixpk= 2856, nxpk= 20, iat=1601, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1603,1604,
&end
#
# 74 TRP HH2 98 LYS HB- 5.50 (# 2858:20 Unique 2.37, 4.09 A)
&rst
ixpk= 2858, nxpk= 20, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1603,1604,
&end
#
# 12 GLY HN 98 LYS HB- 5.50 (# 2859:20 Unique 2.79, 4.14 A)
&rst
ixpk= 2859, nxpk= 20, iat= 172, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1603,1604,
&end
#
# 98 LYS HN 98 LYS HB- 5.50 (# 2860:20 Unique 2.33, 2.87 A)
&rst
ixpk= 2860, nxpk= 20, iat=1599, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1603,1604,
&end
#
# 98 LYS HN 98 LYS HG+ 5.50 (# 2861:20 Unique 2.37, 4.10 A)
&rst
ixpk= 2861, nxpk= 20, iat=1599, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1606,1607,
&end
#
# 100 PHE HD 98 LYS HG+ 4.45 (# 2863:20 Unique 2.20, 5.70 A)
&rst
ixpk= 2863, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.61, r4= 6.36,
igr1=1653,1661,
igr2=1606,1607,
&end
#
# 74 TRP HH2 98 LYS HG- 4.40 (# 2864:20 Unique 2.77, 4.52 A)
&rst
ixpk= 2864, nxpk= 20, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1606,1607,
&end
#
# 0 AMB 20-2:2865 98 LYS HG- 4.40 (# 2865:20 Single Ambig)
&rst
ixpk= 2865, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1621, 172,
igr2=1606,1607,
&end
#
# 98 LYS HA 98 LYS HG+ 4.40 (# 2869:20 Unique 2.27, 3.16 A)
&rst
ixpk= 2869, nxpk= 20, iat=1601, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1606,1607,
&end
#
# 98 LYS HA 98 LYS HG- 5.50 (# 2870:20 Unique 2.27, 3.16 A)
&rst
ixpk= 2870, nxpk= 20, iat=1601, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1606,1607,
&end
#
# 98 LYS HE+ 98 LYS HG+ 3.50 (# 2871:20 Unique 2.09, 3.37 A)
&rst
ixpk= 2871, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1612,1613,
igr2=1606,1607,
&end
#
# 98 LYS HE- 98 LYS HG+ 3.50 (# 2872:20 Unique 2.09, 3.37 A)
&rst
ixpk= 2872, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1612,1613,
igr2=1606,1607,
&end
#
# 98 LYS HE- 98 LYS HG- 4.40 (# 2873:20 Unique 2.09, 3.37 A)
&rst
ixpk= 2873, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1612,1613,
igr2=1606,1607,
&end
#
# 98 LYS HE+ 98 LYS HG- 3.50 (# 2874:20 Unique 2.09, 3.37 A)
&rst
ixpk= 2874, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1612,1613,
igr2=1606,1607,
&end
#
# 0 AMB 20-2:2875 98 LYS HG- 3.50 (# 2875:20 Single Ambig)
&rst
ixpk= 2875, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 700, 701, 702, 626, 627,
igr2=1606,1607,
&end
#
# 0 AMB 20-2:2876 0 AMB 20-1:2876 3.50 (# 2876:20 Double Ambig)
&rst
ixpk= 2876, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 700, 701, 702, 626, 627,
igr2=1606,1607,1606,1607,
&end
#
# 98 LYS HB+ 98 LYS HG+ 3.50 (# 2877:20 Unique 2.21, 2.66 A)
&rst
ixpk= 2877, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1603,1604,
igr2=1606,1607,
&end
#
# 98 LYS HB+ 98 LYS HG- 3.50 (# 2878:20 Unique 2.21, 2.66 A)
&rst
ixpk= 2878, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1603,1604,
igr2=1606,1607,
&end
#
# 98 LYS HD+ 98 LYS HG+ 2.60 (# 2879:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2879, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1609,1610,
igr2=1606,1607,
&end
#
# 98 LYS HD+ 98 LYS HG- 2.60 (# 2880:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2880, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1609,1610,
igr2=1606,1607,
&end
#
# 0 AMB 20-2:2881 0 AMB 20-1:2881 2.60 (# 2881:20 Double Ambig)
&rst
ixpk= 2881, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.63, r4= 5.38,
igr1= 162, 163, 164, 166, 167, 168,1609,1610,
igr2=1606,1607,1606,1607,
&end
#
# 0 AMB 20-2:2882 98 LYS HG- 2.60 (# 2882:20 Single Ambig)
&rst
ixpk= 2882, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1= 162, 163, 164, 166, 167, 168,1609,1610,
igr2=1606,1607,
&end
#
# 98 LYS HB- 98 LYS HG+ 3.50 (# 2883:20 Unique 2.21, 2.66 A)
&rst
ixpk= 2883, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1603,1604,
igr2=1606,1607,
&end
#
# 98 LYS HB- 98 LYS HG- 3.50 (# 2884:20 Unique 2.21, 2.66 A)
&rst
ixpk= 2884, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1603,1604,
igr2=1606,1607,
&end
#
# 98 LYS HB- 98 LYS HD+ 4.40 (# 2885:20 Unique 1.94, 3.20 A)
&rst
ixpk= 2885, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1603,1604,
igr2=1609,1610,
&end
#
# 98 LYS HB- 98 LYS HD- 4.40 (# 2886:20 Unique 1.94, 3.20 A)
&rst
ixpk= 2886, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1603,1604,
igr2=1609,1610,
&end
#
# 98 LYS HG- 98 LYS HD+ 2.60 (# 2887:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2887, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1606,1607,
igr2=1609,1610,
&end
#
# 98 LYS HG+ 98 LYS HD- 2.60 (# 2888:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2888, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1606,1607,
igr2=1609,1610,
&end
#
# 98 LYS HB+ 98 LYS HD+ 3.50 (# 2889:20 Unique 1.94, 3.20 A)
&rst
ixpk= 2889, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1603,1604,
igr2=1609,1610,
&end
#
# 98 LYS HB+ 98 LYS HD- 3.50 (# 2890:20 Unique 1.94, 3.20 A)
&rst
ixpk= 2890, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1603,1604,
igr2=1609,1610,
&end
#
# 46 ALA MB 98 LYS HD+ 2.60 (# 2891:20 Unique 1.93, 2.79 A)
&rst
ixpk= 2891, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 700, 701, 702,
igr2=1609,1610,
&end
#
# 46 ALA MB 98 LYS HD- 3.50 (# 2892:20 Unique 1.93, 2.79 A)
&rst
ixpk= 2892, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 700, 701, 702,
igr2=1609,1610,
&end
#
# 0 AMB 20-2:2893 0 AMB 20-1:2893 3.50 (# 2893:20 Double Ambig)
&rst
ixpk= 2893, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1612,1613,1254,1255,
igr2=1609,1610,1206,1207,
&end
#
# 98 LYS HE+ 98 LYS HD+ 4.40 (# 2894:20 Unique 2.25, 2.65 A)
&rst
ixpk= 2894, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1612,1613,
igr2=1609,1610,
&end
#
# 98 LYS HE+ 98 LYS HD- 4.40 (# 2895:20 Unique 2.25, 2.65 A)
&rst
ixpk= 2895, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1612,1613,
igr2=1609,1610,
&end
#
# 98 LYS HE- 98 LYS HD- 3.50 (# 2896:20 Unique 2.25, 2.65 A)
&rst
ixpk= 2896, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1612,1613,
igr2=1609,1610,
&end
#
# 0 AMB 20-2:2897 76 ARG HG- 4.40 (# 2897:20 Single Ambig)
&rst
ixpk= 2897, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1209,1210,1550,1551,1586,1587,
igr2=1206,1207,
&end
#
# 76 ARG HD+ 76 ARG HG- 5.50 (# 2898:20 Unique 2.22, 2.71 A)
&rst
ixpk= 2898, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1209,1210,
igr2=1206,1207,
&end
#
# 98 LYS HA 98 LYS HD+ 5.50 (# 2899:20 Unique 2.58, 4.05 A)
&rst
ixpk= 2899, nxpk= 20, iat=1601, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1609,1610,
&end
#
# 98 LYS HA 98 LYS HD- 5.50 (# 2900:20 Unique 2.58, 4.05 A)
&rst
ixpk= 2900, nxpk= 20, iat=1601, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1609,1610,
&end
#
# 74 TRP HH2 98 LYS HD+ 5.50 (# 2903:20 Unique 2.00, 3.20 A)
&rst
ixpk= 2903, nxpk= 20, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1609,1610,
&end
#
# 100 PHE HD 98 LYS HD- 5.50 (# 2904:20 Unique 3.29, 6.02 A)
&rst
ixpk= 2904, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1653,1661,
igr2=1609,1610,
&end
#
# 0 AMB 20-2:2905 76 ARG HG- 4.40 (# 2905:20 Single Ambig)
&rst
ixpk= 2905, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1199,1223,
igr2=1206,1207,
&end
#
# 98 LYS HB- 98 LYS HE+ 4.40 (# 2906:20 Unique 2.08, 3.82 A)
&rst
ixpk= 2906, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1603,1604,
igr2=1612,1613,
&end
#
# 98 LYS HB- 98 LYS HE- 5.50 (# 2907:20 Unique 2.08, 3.82 A)
&rst
ixpk= 2907, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1603,1604,
igr2=1612,1613,
&end
#
# 98 LYS HG- 98 LYS HE+ 2.60 (# 2908:20 Unique 2.09, 3.37 A)
&rst
ixpk= 2908, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1606,1607,
igr2=1612,1613,
&end
#
# 98 LYS HG+ 98 LYS HE- 2.60 (# 2909:20 Unique 2.09, 3.37 A)
&rst
ixpk= 2909, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1606,1607,
igr2=1612,1613,
&end
#
# 98 LYS HD- 98 LYS HE+ 3.50 (# 2910:20 Unique 2.25, 2.65 A)
&rst
ixpk= 2910, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1609,1610,
igr2=1612,1613,
&end
#
# 98 LYS HD- 98 LYS HE- 2.60 (# 2911:20 Unique 2.25, 2.65 A)
&rst
ixpk= 2911, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1609,1610,
igr2=1612,1613,
&end
#
# 98 LYS HD+ 98 LYS HE- 2.60 (# 2912:20 Unique 2.25, 2.65 A)
&rst
ixpk= 2912, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1609,1610,
igr2=1612,1613,
&end
#
# 98 LYS HD+ 98 LYS HE+ 3.50 (# 2913:20 Unique 2.25, 2.65 A)
&rst
ixpk= 2913, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1609,1610,
igr2=1612,1613,
&end
#
# 98 LYS HB+ 98 LYS HE- 4.40 (# 2914:20 Unique 2.08, 3.82 A)
&rst
ixpk= 2914, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1603,1604,
igr2=1612,1613,
&end
#
# 98 LYS HB+ 98 LYS HE+ 5.50 (# 2915:20 Unique 2.08, 3.82 A)
&rst
ixpk= 2915, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1603,1604,
igr2=1612,1613,
&end
#
# 0 AMB 20-2:2916 0 AMB 20-1:2916 4.40 (# 2916:20 Double Ambig)
&rst
ixpk= 2916, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.25, r4= 8.00,
igr1= 700, 701, 702, 626, 627,
igr2=1612,1613,1612,1613,
&end
#
# 0 AMB 20-2:2917 98 LYS HE- 3.50 (# 2917:20 Single Ambig)
&rst
ixpk= 2917, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 700, 701, 702, 626, 627,
igr2=1612,1613,
&end
#
# 0 AMB 20-2:2919 98 LYS HE- 5.50 (# 2919:20 Single Ambig)
&rst
ixpk= 2919, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1160,1161,1625,1626,
igr2=1612,1613,
&end
#
# 0 AMB 20-2:2920 0 AMB 20-1:2920 5.50 (# 2920:20 Double Ambig)
&rst
ixpk= 2920, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 698,1120,
igr2=1612,1613,1612,1613,
&end
#
# 0 AMB 20-2:2921 98 LYS HE- 5.50 (# 2921:20 Single Ambig)
&rst
ixpk= 2921, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 698,1120,
igr2=1612,1613,
&end
#
# 73 ASN HA 98 LYS HE+ 5.50 (# 2922:20 Unique 6.22, 7.43 A)
&rst
ixpk= 2922, nxpk= 20, iat=1144, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1612,1613,
&end
#
# 100 PHE HE 98 LYS HE+ 5.50 (# 2923:20 Unique 1.96, 5.82 A)
&rst
ixpk= 2923, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1655,1659,
igr2=1612,1613,
&end
#
# 74 TRP HH2 98 LYS HE+ 5.50 (# 2924:20 Unique 2.75, 3.85 A)
&rst
ixpk= 2924, nxpk= 20, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1612,1613,
&end
#
# 74 TRP HH2 98 LYS HE- 5.50 (# 2925:20 Unique 2.75, 3.85 A)
&rst
ixpk= 2925, nxpk= 20, iat=1171, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1612,1613,
&end
#
# 74 TRP HD1 98 LYS HE- 5.50 (# 2926:20 Unique 4.52, 5.68 A)
&rst
ixpk= 2926, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1612,1613,
&end
#
# 74 TRP HZ2 98 LYS HE- 5.50 (# 2927:20 Unique 2.39, 3.74 A)
&rst
ixpk= 2927, nxpk= 20, iat=1169, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1612,1613,
&end
#
# 74 TRP HE1 98 LYS HE- 5.50 (# 2928:20 Unique 3.23, 4.63 A)
&rst
ixpk= 2928, nxpk= 20, iat=1166, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1612,1613,
&end
#
# 42 PRO HD+ 1 MET HB+ 5.50 (# 2929:20 Unique 3.38, 5.75 A)
&rst
ixpk= 2929, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 650, 651,
igr2= 8, 9,
&end
#
# 37 GLN HA 37 GLN HG- 5.50 (# 2930:20 Unique 2.17, 2.93 A)
&rst
ixpk= 2930, nxpk= 20, iat= 587, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 592, 593,
&end
#
# 97 GLN HA 97 GLN HG- 5.50 (# 2931:20 Unique 2.04, 2.68 A)
&rst
ixpk= 2931, nxpk= 20, iat=1584, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1589,1590,
&end
#
# 13 ILE HN 37 GLN HG- 5.50 (# 2932:20 Unique 3.17, 4.72 A)
&rst
ixpk= 2932, nxpk= 20, iat= 179, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 592, 593,
&end
#
# 0 AMB 20-2:2933 97 GLN HG- 4.40 (# 2933:20 Single Ambig)
&rst
ixpk= 2933, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1582,1631,
igr2=1589,1590,
&end
#
# 0 AMB 20-2:2934 97 GLN HA 3.50 (# 2934:20 Single Ambig)
&rst
ixpk= 2934, nxpk= 20, iat= -1,1584, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1589,1590,1586,1587,
&end
#
# 100 PHE HN 99 TRP HA 3.50 (# 2935:20 Unique 2.14, 2.19 A)
&rst
ixpk= 2935, nxpk= 20, iat=1645,1623, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 99 TRP HN 99 TRP HA 3.50 (# 2936:20 Unique 2.93, 2.94 A)
&rst
ixpk= 2936, nxpk= 20, iat=1621,1623, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 100 PHE HD 99 TRP HA 4.40 (# 2937:20 Unique 3.52, 5.52 A)
&rst
ixpk= 2937, nxpk= 20, iat= -1,1623, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1653,1661,
&end
#
# 11 VAL HA 99 TRP HA 5.50 (# 2939:20 Unique 4.47, 4.89 A)
&rst
ixpk= 2939, nxpk= 20, iat= 158,1623, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:2940 99 TRP HA 5.50 (# 2940:20 Single Ambig)
&rst
ixpk= 2940, nxpk= 20, iat= -1,1623, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 174, 175, 174, 175,
&end
#
# 71 THR MG2 99 TRP HB+ 4.40 (# 2941:20 Unique 1.97, 3.56 A)
&rst
ixpk= 2941, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1110,1111,1112,
igr2=1625,1626,
&end
#
# 71 THR MG2 99 TRP HB- 3.50 (# 2942:20 Unique 1.97, 3.56 A)
&rst
ixpk= 2942, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1110,1111,1112,
igr2=1625,1626,
&end
#
# 99 TRP HA 99 TRP HB- 5.50 (# 2943:20 Unique 2.37, 2.72 A)
&rst
ixpk= 2943, nxpk= 20, iat=1623, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1625,1626,
&end
#
# 99 TRP HD1 99 TRP HB- 4.40 (# 2944:20 Unique 2.55, 3.13 A)
&rst
ixpk= 2944, nxpk= 20, iat=1629, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1625,1626,
&end
#
# 99 TRP HD1 99 TRP HB+ 3.50 (# 2945:20 Unique 2.55, 3.13 A)
&rst
ixpk= 2945, nxpk= 20, iat=1629, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1625,1626,
&end
#
# 14 VAL MGX 99 TRP HB+ 5.50 (# 2946:20 Unique 3.29, 6.10 A)
&rst
ixpk= 2946, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 204, 205, 206, 208, 209, 210,
igr2=1625,1626,
&end
#
# 147 VAL MGX 99 TRP HB+ 5.50 (# 2947:20 Unique 1.99, 4.09 A)
&rst
ixpk= 2947, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2443,2444,2445,2447,2448,2449,
igr2=1625,1626,
&end
#
# 100 PHE HN 99 TRP HB- 5.50 (# 2949:20 Unique 2.87, 3.57 A)
&rst
ixpk= 2949, nxpk= 20, iat=1645, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1625,1626,
&end
#
# 100 PHE HN 100 PHE HB+ 5.50 (# 2950:20 Unique 2.56, 3.13 A)
&rst
ixpk= 2950, nxpk= 20, iat=1645, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1649,1650,
&end
#
# 100 PHE HD 100 PHE HB+ 4.40 (# 2951:20 Unique 2.28, 3.04 A)
&rst
ixpk= 2951, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1653,1661,
igr2=1649,1650,
&end
#
# 50 MET HB- 100 PHE HB+ 3.50 (# 2952:20 Unique 4.25, 5.29 A)
&rst
ixpk= 2952, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 752, 753,
igr2=1649,1650,
&end
#
# 101 LEU MDX 101 LEU HA 2.60 (# 2953:20 Unique 1.96, 3.75 A)
&rst
ixpk= 2953, nxpk= 20, iat= -1,1667, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 101 LEU HB+ 101 LEU HA 3.50 (# 2954:20 Unique 2.30, 2.68 A)
&rst
ixpk= 2954, nxpk= 20, iat= -1,1667, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1669,1670,
&end
#
# 0 AMB 20-2:2955 101 LEU HA 4.40 (# 2955:20 Single Ambig)
&rst
ixpk= 2955, nxpk= 20, iat= -1,1667, r1= 0.00, r2= 1.80, r3= 7.25, r4= 8.00,
igr1= 227, 228, 229,1073,1074,1075,1077,1078,1079, 185,
186, 187, 224, 225,2570,2571,2572,2574,2575,2576,
&end
#
# 101 LEU HN 101 LEU HA 4.40 (# 2957:20 Unique 2.93, 2.94 A)
&rst
ixpk= 2957, nxpk= 20, iat=1665,1667, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 102 LEU HN 101 LEU HA 3.50 (# 2958:20 Unique 2.14, 2.15 A)
&rst
ixpk= 2958, nxpk= 20, iat=1684,1667, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 14 VAL HB 101 LEU HA 5.50 (# 2959:20 Unique 1.97, 2.48 A)
&rst
ixpk= 2959, nxpk= 20, iat= 202,1667, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 101 LEU MDY 101 LEU HB+ 3.50 (# 2961:20 Unique 1.98, 3.36 A)
&rst
ixpk= 2961, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1674,1675,1676,1678,1679,1680,
igr2=1669,1670,
&end
#
# 101 LEU MDX 101 LEU HB+ 4.40 (# 2962:20 Unique 1.98, 3.36 A)
&rst
ixpk= 2962, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1674,1675,1676,1678,1679,1680,
igr2=1669,1670,
&end
#
# 69 ALA MB 101 LEU HB+ 5.50 (# 2964:20 Unique 1.98, 4.28 A)
&rst
ixpk= 2964, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1087,1088,1089,
igr2=1669,1670,
&end
#
# 151 PHE HD 101 LEU HB+ 4.40 (# 2965:20 Unique 2.55, 3.73 A)
&rst
ixpk= 2965, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2515,2523,
igr2=1669,1670,
&end
#
# 101 LEU HA 101 LEU HB+ 5.50 (# 2966:20 Unique 2.30, 2.68 A)
&rst
ixpk= 2966, nxpk= 20, iat=1667, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1669,1670,
&end
#
# 111 ILE QD1 104 LEU MDY 3.50 (# 2967:20 Unique 2.64, 6.14 A)
&rst
ixpk= 2967, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1823,1824,1825,
igr2=1729,1730,1731,1733,1734,1735,
&end
#
# 111 ILE QG2 104 LEU MDY 5.50 (# 2968:20 Unique 5.76, 8.22 A)
&rst
ixpk= 2968, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1816,1817,1818,
igr2=1729,1730,1731,1733,1734,1735,
&end
#
# 111 ILE HG1+ 104 LEU MDY 5.50 (# 2969:20 Unique 2.71, 5.23 A)
&rst
ixpk= 2969, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1820,1821,
igr2=1729,1730,1731,1733,1734,1735,
&end
#
# 101 LEU MDY 101 LEU HG 3.50 (# 2970:20 Unique 2.21, 2.63 A)
&rst
ixpk= 2970, nxpk= 20, iat= -1,1672, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 0 AMB 20-2:2971 0 AMB 20-1:2971 2.60 (# 2971:20 Double Ambig)
&rst
ixpk= 2971, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.82, r4= 6.57,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,1674,1675,1676,1678,1679,1680,
igr2=1729,1730,1731,1733,1734,1735,1672,
&end
#
# 0 AMB 20-2:2972 0 AMB 20-1:2972 2.60 (# 2972:20 Double Ambig)
&rst
ixpk= 2972, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.97, r4= 5.72,
igr1=1068,1069,1724,1725, 350, 351, 352,
igr2=1672,1729,1730,1731,1733,1734,1735,
&end
#
# 60 LEU HG 104 LEU MDY 4.40 (# 2973:20 Unique 1.97, 4.04 A)
&rst
ixpk= 2973, nxpk= 20, iat= 924, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1729,1730,1731,1733,1734,1735,
&end
#
# 0 AMB 20-2:2974 0 AMB 20-1:2974 3.50 (# 2974:20 Double Ambig)
&rst
ixpk= 2974, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.85, r4= 7.60,
igr1= 218,2612,2613,1854,1855,1856, 310, 311,
igr2=1729,1730,1731,1733,1734,1735,1672,
&end
#
# 0 AMB 20-2:2975 104 LEU MDY 3.50 (# 2975:20 Single Ambig)
&rst
ixpk= 2975, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1724,1725,1799,1800,
igr2=1729,1730,1731,1733,1734,1735,
&end
#
# 0 AMB 20-2:2976 104 LEU MDY 3.50 (# 2976:20 Single Ambig)
&rst
ixpk= 2976, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1777,1778, 248, 249,
igr2=1729,1730,1731,1733,1734,1735,
&end
#
# 108 ASP HA 104 LEU MDY 3.50 (# 2977:20 Unique 2.12, 4.44 A)
&rst
ixpk= 2977, nxpk= 20, iat=1775, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1729,1730,1731,1733,1734,1735,
&end
#
# 104 LEU HA 104 LEU MDY 4.40 (# 2978:20 Unique 1.99, 3.66 A)
&rst
ixpk= 2978, nxpk= 20, iat=1722, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1729,1730,1731,1733,1734,1735,
&end
#
# 0 AMB 20-2:2979 0 AMB 20-1:2979 5.50 (# 2979:20 Double Ambig)
&rst
ixpk= 2979, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1=2509, 216,
igr2=1672,1729,1730,1731,1733,1734,1735,
&end
#
# 0 AMB 20-2:2981 0 AMB 20-1:2981 4.40 (# 2981:20 Double Ambig)
&rst
ixpk= 2981, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.31, r4= 8.06,
igr1=2058,2104,2109,
igr2=1729,1730,1731,1733,1734,1735,1672,
&end
#
# 126 TRP HZ2 104 LEU MDY 2.60 (# 2983:20 Unique 3.16, 5.35 A)
&rst
ixpk= 2983, nxpk= 20, iat=2056, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1729,1730,1731,1733,1734,1735,
&end
#
# 0 AMB 20-2:2984 104 LEU MDY 4.40 (# 2984:20 Single Ambig)
&rst
ixpk= 2984, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1773,1766,
igr2=1729,1730,1731,1733,1734,1735,
&end
#
# 104 LEU HN 104 LEU MDY 4.40 (# 2985:20 Unique 3.59, 4.96 A)
&rst
ixpk= 2985, nxpk= 20, iat=1720, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1729,1730,1731,1733,1734,1735,
&end
#
# 105 VAL HN 104 LEU MDY 5.50 (# 2986:20 Unique 2.07, 4.71 A)
&rst
ixpk= 2986, nxpk= 20, iat=1739, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1729,1730,1731,1733,1734,1735,
&end
#
# 0 AMB 20-2:2988 0 AMB 20-1:2988 5.50 (# 2988:20 Double Ambig)
&rst
ixpk= 2988, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=2564, 910,2056,
igr2=1674,1675,1676,1678,1679,1680, 926, 927, 928, 930,
931, 932,
&end
#
# 151 PHE HA 101 LEU MDX 3.50 (# 2989:20 Unique 1.95, 4.53 A)
&rst
ixpk= 2989, nxpk= 20, iat=2509, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 16 CYS HB+ 101 LEU MDX 4.40 (# 2990:20 Unique 1.98, 4.47 A)
&rst
ixpk= 2990, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 237, 238,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 16 CYS HB- 101 LEU MDX 4.40 (# 2991:20 Unique 1.98, 4.47 A)
&rst
ixpk= 2991, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 237, 238,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 0 AMB 20-2:2992 101 LEU MDX 3.50 (# 2992:20 Single Ambig)
&rst
ixpk= 2992, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1707,1708,2457,2458,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 101 LEU HB- 101 LEU MDY 3.50 (# 2993:20 Unique 1.98, 3.36 A)
&rst
ixpk= 2993, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1669,1670,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 154 VAL MGY 101 LEU MDY 2.60 (# 2995:20 Unique 1.99, 5.19 A)
&rst
ixpk= 2995, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2554,2555,2556,2558,2559,2560,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 0 AMB 20-2:2996 101 LEU MDY 2.60 (# 2996:20 Single Ambig)
&rst
ixpk= 2996, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
igr1=1669,1670,2554,2555,2556,2558,2559,2560,1073,1074,
1075,1077,1078,1079,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 0 AMB 20-2:2997 101 LEU MDY 2.60 (# 2997:20 Single Ambig)
&rst
ixpk= 2997, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1068,1069,1087,1088,1089,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 103 GLN HB- 101 LEU MDY 4.40 (# 2998:20 Unique 4.08, 6.19 A)
&rst
ixpk= 2998, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1707,1708,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 0 AMB 20-2:2999 101 LEU MDY 4.40 (# 2999:20 Single Ambig)
&rst
ixpk= 2999, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1=2612,2613, 224, 225,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 0 AMB 20-2:3000 101 LEU MDY 3.50 (# 3000:20 Single Ambig)
&rst
ixpk= 3000, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2552, 202,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 151 PHE HB- 101 LEU MDY 4.40 (# 3001:20 Unique 1.93, 4.54 A)
&rst
ixpk= 3001, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2511,2512,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 151 PHE HB+ 101 LEU MDY 3.50 (# 3002:20 Unique 1.93, 4.54 A)
&rst
ixpk= 3002, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2511,2512,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 151 PHE HA 101 LEU MDY 5.50 (# 3003:20 Unique 1.95, 4.53 A)
&rst
ixpk= 3003, nxpk= 20, iat=2509, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 101 LEU HA 101 LEU MDY 5.50 (# 3004:20 Unique 1.96, 3.75 A)
&rst
ixpk= 3004, nxpk= 20, iat=1667, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 151 PHE HD 101 LEU MDY 3.50 (# 3005:20 Unique 2.46, 5.47 A)
&rst
ixpk= 3005, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2515,2523,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 155 VAL HN 101 LEU MDY 5.50 (# 3006:20 Unique 3.95, 5.70 A)
&rst
ixpk= 3006, nxpk= 20, iat=2564, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 69 ALA HN 101 LEU MDY 5.50 (# 3007:20 Unique 2.36, 4.90 A)
&rst
ixpk= 3007, nxpk= 20, iat=1083, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 101 LEU HN 101 LEU MDY 5.50 (# 3008:20 Unique 4.05, 5.22 A)
&rst
ixpk= 3008, nxpk= 20, iat=1665, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 0 AMB 20-2:3009 101 LEU MDY 5.50 (# 3009:20 Single Ambig)
&rst
ixpk= 3009, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1093,2580,2094,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 102 LEU HN 101 LEU MDY 5.50 (# 3010:20 Unique 1.94, 4.25 A)
&rst
ixpk= 3010, nxpk= 20, iat=1684, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 0 AMB 20-2:3012 102 LEU HA 2.60 (# 3012:20 Single Ambig)
&rst
ixpk= 3012, nxpk= 20, iat= -1,1686, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1693,1694,1695,1697,1698,1699,1073,1074,1075,1077,
1078,1079,
&end
#
# 102 LEU MDY 102 LEU HA 3.50 (# 3013:20 Unique 1.98, 4.38 A)
&rst
ixpk= 3013, nxpk= 20, iat= -1,1686, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1693,1694,1695,1697,1698,1699,
&end
#
# 0 AMB 20-2:3014 102 LEU HA 4.40 (# 3014:20 Single Ambig)
&rst
ixpk= 3014, nxpk= 20, iat= -1,1686, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1051,1052,1053, 220, 221, 222,
&end
#
# 102 LEU HB- 102 LEU HA 5.50 (# 3015:20 Unique 2.22, 2.52 A)
&rst
ixpk= 3015, nxpk= 20, iat= -1,1686, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1688,1689,
&end
#
# 0 AMB 20-2:3016 102 LEU HA 3.50 (# 3016:20 Single Ambig)
&rst
ixpk= 3016, nxpk= 20, iat= -1,1686, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1691,1028,1029,
&end
#
# 102 LEU HB+ 102 LEU HA 3.50 (# 3017:20 Unique 2.22, 2.52 A)
&rst
ixpk= 3017, nxpk= 20, iat= -1,1686, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1688,1689,
&end
#
# 0 AMB 20-2:3018 102 LEU HA 5.50 (# 3018:20 Single Ambig)
&rst
ixpk= 3018, nxpk= 20, iat= -1,1686, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1707,1708,1049,
&end
#
# 67 ILE HA 102 LEU HA 4.40 (# 3019:20 Unique 1.99, 2.40 A)
&rst
ixpk= 3019, nxpk= 20, iat=1047,1686, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 103 GLN HN 102 LEU HA 3.50 (# 3020:20 Unique 2.14, 2.24 A)
&rst
ixpk= 3020, nxpk= 20, iat=1703,1686, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 LEU HN 102 LEU HA 4.40 (# 3021:20 Unique 2.20, 2.48 A)
&rst
ixpk= 3021, nxpk= 20, iat=1064,1686, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 102 LEU HN 102 LEU HA 5.50 (# 3022:20 Unique 2.94, 2.94 A)
&rst
ixpk= 3022, nxpk= 20, iat=1684,1686, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 102 LEU HN 102 LEU HB+ 4.40 (# 3023:20 Unique 2.40, 3.51 A)
&rst
ixpk= 3023, nxpk= 20, iat=1684, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1688,1689,
&end
#
# 102 LEU HN 102 LEU HB- 5.50 (# 3024:20 Unique 2.40, 3.51 A)
&rst
ixpk= 3024, nxpk= 20, iat=1684, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1688,1689,
&end
#
# 0 AMB 20-2:3025 0 AMB 20-1:3025 5.50 (# 3025:20 Double Ambig)
&rst
ixpk= 3025, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1703,1045,
igr2=1688,1689,1688,1689,
&end
#
# 0 AMB 20-2:3026 102 LEU HB- 5.50 (# 3026:20 Single Ambig)
&rst
ixpk= 3026, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1703,1045,
igr2=1688,1689,
&end
#
# 102 LEU HA 102 LEU HB+ 5.50 (# 3027:20 Unique 2.22, 2.52 A)
&rst
ixpk= 3027, nxpk= 20, iat=1686, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1688,1689,
&end
#
# 102 LEU HA 102 LEU HB- 4.40 (# 3028:20 Unique 2.22, 2.52 A)
&rst
ixpk= 3028, nxpk= 20, iat=1686, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1688,1689,
&end
#
# 102 LEU HG 102 LEU HB+ 4.40 (# 3029:20 Unique 2.25, 2.76 A)
&rst
ixpk= 3029, nxpk= 20, iat=1691, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1688,1689,
&end
#
# 102 LEU HG 102 LEU HB- 4.40 (# 3030:20 Unique 2.25, 2.76 A)
&rst
ixpk= 3030, nxpk= 20, iat=1691, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1688,1689,
&end
#
# 0 AMB 20-2:3031 0 AMB 20-1:3031 2.60 (# 3031:20 Double Ambig)
&rst
ixpk= 3031, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1693,1694,1695,1697,1698,1699, 227, 228, 229,
igr2=1688,1689,1688,1689,
&end
#
# 0 AMB 20-2:3032 0 AMB 20-1:3032 2.60 (# 3032:20 Double Ambig)
&rst
ixpk= 3032, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.96, r4= 5.71,
igr1=1011,1012,1013,1015,1016,1017,1693,1694,1695,1697,
1698,1699,
igr2=1688,1689,1688,1689,
&end
#
# 0 AMB 20-2:3033 102 LEU HB- 2.60 (# 3033:20 Single Ambig)
&rst
ixpk= 3033, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=1011,1012,1013,1015,1016,1017,1693,1694,1695,1697,
1698,1699,
igr2=1688,1689,
&end
#
# 0 AMB 20-2:3034 102 LEU HB- 2.60 (# 3034:20 Single Ambig)
&rst
ixpk= 3034, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=1693,1694,1695,1697,1698,1699, 227, 228, 229,
igr2=1688,1689,
&end
#
# 102 LEU HN 102 LEU HG 5.50 (# 3035:20 Unique 2.08, 2.37 A)
&rst
ixpk= 3035, nxpk= 20, iat=1684,1691, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:3036 102 LEU HG 5.50 (# 3036:20 Single Ambig)
&rst
ixpk= 3036, nxpk= 20, iat= -1,1691, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1021,1665,
&end
#
# 102 LEU HA 102 LEU HG 5.50 (# 3038:20 Unique 2.46, 3.62 A)
&rst
ixpk= 3038, nxpk= 20, iat=1686,1691, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:3040 102 LEU HG 2.60 (# 3040:20 Single Ambig)
&rst
ixpk= 3040, nxpk= 20, iat= -1,1691, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1688,1689,1055,1056,
&end
#
# 0 AMB 20-2:3041 102 LEU HG 2.60 (# 3041:20 Single Ambig)
&rst
ixpk= 3041, nxpk= 20, iat= -1,1691, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 227, 228, 229,1693,1694,1695,1697,1698,1699, 185,
186, 187,
&end
#
# 0 AMB 20-2:3042 102 LEU HG 5.50 (# 3042:20 Single Ambig)
&rst
ixpk= 3042, nxpk= 20, iat= -1,1691, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1009, 713, 714,
&end
#
# 51 TYR HE 102 LEU MDX 5.50 (# 3043:20 Unique 3.52, 6.60 A)
&rst
ixpk= 3043, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 775, 780,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 77 TYR HE 0 AMB 20-1:3044 5.50 (# 3044:20 Single Ambig)
&rst
ixpk= 3044, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1233,1238,
igr2=2301,2302,1275,1276,1277,1279,1280,1281,
&end
#
# 102 LEU HN 102 LEU MDY 4.40 (# 3045:20 Unique 2.35, 4.04 A)
&rst
ixpk= 3045, nxpk= 20, iat=1684, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 68 LEU HN 102 LEU MDY 5.50 (# 3046:20 Unique 2.60, 5.62 A)
&rst
ixpk= 3046, nxpk= 20, iat=1064, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 0 AMB 20-2:3047 102 LEU MDY 3.50 (# 3047:20 Single Ambig)
&rst
ixpk= 3047, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1045,1703,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 100 PHE HD 102 LEU MDY 4.40 (# 3048:20 Unique 2.36, 5.92 A)
&rst
ixpk= 3048, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1653,1661,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 51 TYR HE 102 LEU MDY 5.50 (# 3049:20 Unique 3.52, 6.60 A)
&rst
ixpk= 3049, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 775, 780,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 102 LEU HA 102 LEU MDY 4.40 (# 3050:20 Unique 1.98, 4.38 A)
&rst
ixpk= 3050, nxpk= 20, iat=1686, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 101 LEU HA 102 LEU MDY 5.50 (# 3051:20 Unique 2.77, 5.13 A)
&rst
ixpk= 3051, nxpk= 20, iat=1667, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 15 ILE HA 102 LEU MDY 5.50 (# 3052:20 Unique 4.28, 5.59 A)
&rst
ixpk= 3052, nxpk= 20, iat= 216, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 51 TYR HA 102 LEU MDY 4.40 (# 3054:20 Unique 5.01, 6.92 A)
&rst
ixpk= 3054, nxpk= 20, iat= 767, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 0 AMB 20-2:3056 102 LEU MDY 2.60 (# 3056:20 Single Ambig)
&rst
ixpk= 3056, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.91, r4= 6.66,
igr1= 192, 193, 194, 189, 190,1674,1675,1676,1678,1679,
1680, 926, 927, 928, 930, 931, 932, 926, 927, 928,
930, 931, 932,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 102 LEU HB- 102 LEU MDY 3.50 (# 3057:20 Unique 2.00, 3.26 A)
&rst
ixpk= 3057, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1688,1689,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 0 AMB 20-2:3058 102 LEU MDY 4.40 (# 3058:20 Single Ambig)
&rst
ixpk= 3058, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.09, r4= 9.84,
igr1=1672,1729,1730,1731,1733,1734,1735,2554,2555,2556,
2558,2559,2560,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 102 LEU HG 102 LEU MDY 2.60 (# 3059:20 Unique 2.21, 2.63 A)
&rst
ixpk= 3059, nxpk= 20, iat=1691, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 0 AMB 20-2:3060 102 LEU MDY 2.60 (# 3060:20 Single Ambig)
&rst
ixpk= 3060, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=1688,1689, 755, 756,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 0 AMB 20-2:3061 102 LEU MDY 5.50 (# 3061:20 Single Ambig)
&rst
ixpk= 3061, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 218, 814, 815,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 65 VAL HB 102 LEU MDY 4.40 (# 3062:20 Unique 1.96, 5.82 A)
&rst
ixpk= 3062, nxpk= 20, iat=1009, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 100 PHE HB+ 102 LEU MDY 4.40 (# 3063:20 Unique 1.97, 4.34 A)
&rst
ixpk= 3063, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1649,1650,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 65 VAL HA 102 LEU MDY 5.50 (# 3064:20 Unique 4.11, 6.74 A)
&rst
ixpk= 3064, nxpk= 20, iat=1007, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 0 AMB 20-2:3066 103 GLN HA 3.50 (# 3066:20 Single Ambig)
&rst
ixpk= 3066, nxpk= 20, iat= -1,1705, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2617,2618,2619,2621,2622,2623,2617,2618,2619,2621,
2622,2623,1693,1694,1695,1697,1698,1699,2554,2555,
2556,2558,2559,2560,
&end
#
# 0 AMB 20-2:3067 103 GLN HA 5.50 (# 3067:20 Single Ambig)
&rst
ixpk= 3067, nxpk= 20, iat= -1,1705, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 218, 310, 311,
&end
#
# 103 GLN HN 103 GLN HA 5.50 (# 3068:20 Unique 2.85, 2.90 A)
&rst
ixpk= 3068, nxpk= 20, iat=1703,1705, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 CYS HN 103 GLN HA 3.50 (# 3069:20 Unique 2.14, 2.31 A)
&rst
ixpk= 3069, nxpk= 20, iat= 233,1705, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 VAL HN 63 LYS HB+ 5.50 (# 3070:20 Unique 5.08, 5.32 A)
&rst
ixpk= 3070, nxpk= 20, iat=1005, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 975, 976,
&end
#
# 63 LYS HE+ 63 LYS HB+ 5.50 (# 3071:20 Unique 2.97, 4.06 A)
&rst
ixpk= 3071, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 984, 985,
igr2= 975, 976,
&end
#
# 103 GLN HE2- 103 GLN HG+ 4.40 (# 3073:20 Unique 2.12, 3.35 A)
&rst
ixpk= 3073, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1715,1716,
igr2=1710,1711,
&end
#
# 104 LEU HN 103 GLN HG+ 4.40 (# 3075:20 Unique 2.16, 3.18 A)
&rst
ixpk= 3075, nxpk= 20, iat=1720, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1710,1711,
&end
#
# 103 GLN HN 103 GLN HG+ 5.50 (# 3076:20 Unique 3.64, 4.22 A)
&rst
ixpk= 3076, nxpk= 20, iat=1703, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1710,1711,
&end
#
# 105 VAL HN 103 GLN HG+ 5.50 (# 3077:20 Unique 4.04, 4.94 A)
&rst
ixpk= 3077, nxpk= 20, iat=1739, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1710,1711,
&end
#
# 0 AMB 20-2:3079 0 AMB 20-1:3079 5.50 (# 3079:20 Double Ambig)
&rst
ixpk= 3079, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1=1538,1539,1268, 665, 666,
igr2=1246, 672,
&end
#
# 0 AMB 20-2:3080 0 AMB 20-1:3080 3.50 (# 3080:20 Double Ambig)
&rst
ixpk= 3080, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1720,1244,
igr2=1722,1246,
&end
#
# 0 AMB 20-2:3081 0 AMB 20-1:3081 4.40 (# 3081:20 Double Ambig)
&rst
ixpk= 3081, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1724,1725, 725, 726,
igr2=1722, 672,
&end
#
# 104 LEU MDX 104 LEU HA 3.50 (# 3082:20 Unique 1.99, 3.66 A)
&rst
ixpk= 3082, nxpk= 20, iat= -1,1722, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1729,1730,1731,1733,1734,1735,
&end
#
# 104 LEU MDX 104 LEU HB+ 3.50 (# 3083:20 Unique 2.18, 3.29 A)
&rst
ixpk= 3083, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1729,1730,1731,1733,1734,1735,
igr2=1724,1725,
&end
#
# 104 LEU MDX 104 LEU HB- 3.50 (# 3084:20 Unique 2.18, 3.29 A)
&rst
ixpk= 3084, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1729,1730,1731,1733,1734,1735,
igr2=1724,1725,
&end
#
# 104 LEU MDY 104 LEU HB+ 3.50 (# 3085:20 Unique 2.18, 3.29 A)
&rst
ixpk= 3085, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1729,1730,1731,1733,1734,1735,
igr2=1724,1725,
&end
#
# 104 LEU MDY 104 LEU HB- 3.50 (# 3086:20 Unique 2.18, 3.29 A)
&rst
ixpk= 3086, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1729,1730,1731,1733,1734,1735,
igr2=1724,1725,
&end
#
# 0 AMB 20-2:3087 0 AMB 20-1:3087 5.50 (# 3087:20 Double Ambig)
&rst
ixpk= 3087, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.76, r4=11.51,
igr1= 310, 311, 286, 287,2615,2612,2613,
igr2=1724,1725,1724,1725,1724,1725,1724,1725,
&end
#
# 15 ILE HB 104 LEU HB- 4.40 (# 3088:20 Unique 4.09, 5.24 A)
&rst
ixpk= 3088, nxpk= 20, iat= 218, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1724,1725,
&end
#
# 104 LEU HA 104 LEU HB+ 5.50 (# 3089:20 Unique 2.51, 2.80 A)
&rst
ixpk= 3089, nxpk= 20, iat=1722, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1724,1725,
&end
#
# 0 AMB 20-2:3090 0 AMB 20-1:3090 5.50 (# 3090:20 Double Ambig)
&rst
ixpk= 3090, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2058,1715,1716,
igr2=1724,1725,1724,1725,
&end
#
# 104 LEU HN 104 LEU HB+ 4.40 (# 3091:20 Unique 2.11, 2.55 A)
&rst
ixpk= 3091, nxpk= 20, iat=1720, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1724,1725,
&end
#
# 104 LEU HN 104 LEU HB- 5.50 (# 3092:20 Unique 2.11, 2.55 A)
&rst
ixpk= 3092, nxpk= 20, iat=1720, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1724,1725,
&end
#
# 155 VAL HA 155 VAL MGY 2.60 (# 3095:20 Unique 2.18, 3.22 A)
&rst
ixpk= 3095, nxpk= 20, iat=2566, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2570,2571,2572,2574,2575,2576,
&end
#
# 0 AMB 20-2:3096 155 VAL MGY 4.40 (# 3096:20 Single Ambig)
&rst
ixpk= 3096, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1=2098,2099, 237, 238,
igr2=2570,2571,2572,2574,2575,2576,
&end
#
# 152 ALA HA 155 VAL MGY 4.40 (# 3097:20 Unique 1.95, 3.85 A)
&rst
ixpk= 3097, nxpk= 20, iat=2529, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=2570,2571,2572,2574,2575,2576,
&end
#
# 129 TYR HD 155 VAL MGY 2.60 (# 3098:20 Unique 2.28, 5.07 A)
&rst
ixpk= 3098, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2102,2111,
igr2=2570,2571,2572,2574,2575,2576,
&end
#
# 0 AMB 20-2:3099 0 AMB 20-1:3099 3.50 (# 3099:20 Double Ambig)
&rst
ixpk= 3099, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1720,1199,
igr2=1729,1730,1731,1733,1734,1735,1189,1190,1191,1193,
1194,1195,1073,1074,1075,1077,1078,1079,
&end
#
# 105 VAL MGX 105 VAL HA 2.60 (# 3101:20 Unique 2.26, 3.31 A)
&rst
ixpk= 3101, nxpk= 20, iat= -1,1741, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1745,1746,1747,1749,1750,1751,
&end
#
# 0 AMB 20-2:3102 0 AMB 20-1:3102 2.60 (# 3102:20 Double Ambig)
&rst
ixpk= 3102, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=1745,1746,1747,1749,1750,1751,1370,1371,1372,1374,
1375,1376,
igr2=1741,1295,
&end
#
# 105 VAL HB 105 VAL HA 3.50 (# 3103:20 Unique 2.27, 2.71 A)
&rst
ixpk= 3103, nxpk= 20, iat=1743,1741, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:3104 0 AMB 20-1:3104 5.50 (# 3104:20 Double Ambig)
&rst
ixpk= 3104, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1722,1246,
igr2=1741,1295,
&end
#
# 106 SER HN 105 VAL HA 3.50 (# 3105:20 Unique 3.45, 3.53 A)
&rst
ixpk= 3105, nxpk= 20, iat=1755,1741, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 105 VAL HN 105 VAL HA 3.50 (# 3106:20 Unique 2.86, 2.91 A)
&rst
ixpk= 3106, nxpk= 20, iat=1739,1741, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 105 VAL MGX 105 VAL HB 2.60 (# 3107:20 Unique 2.23, 2.63 A)
&rst
ixpk= 3107, nxpk= 20, iat= -1,1743, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1745,1746,1747,1749,1750,1751,
&end
#
# 105 VAL MGY 105 VAL HB 2.60 (# 3108:20 Unique 2.23, 2.63 A)
&rst
ixpk= 3108, nxpk= 20, iat= -1,1743, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1745,1746,1747,1749,1750,1751,
&end
#
# 143 VAL MGY 143 VAL HB 2.60 (# 3109:20 Unique 2.23, 2.63 A)
&rst
ixpk= 3109, nxpk= 20, iat= -1,2356, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2358,2359,2360,2362,2363,2364,
&end
#
# 0 AMB 20-2:3110 0 AMB 20-1:3110 2.60 (# 3110:20 Double Ambig)
&rst
ixpk= 3110, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=2477,2478,2304,2305,2396,2397,
igr2=2474,2475,2251,2474,2475,
&end
#
# 0 AMB 20-2:3111 0 AMB 20-1:3111 2.60 (# 3111:20 Double Ambig)
&rst
ixpk= 3111, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2480,2481,2477,2478,2396,2397,
igr2=2474,2475,2474,2475,2474,2475,
&end
#
# 137 VAL HA 137 VAL HB 2.60 (# 3112:20 Unique 2.37, 2.71 A)
&rst
ixpk= 3112, nxpk= 20, iat=2249,2251, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 0 AMB 20-2:3113 0 AMB 20-1:3113 3.50 (# 3113:20 Double Ambig)
&rst
ixpk= 3113, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1741,2472,
igr2=1743,2474,2475,
&end
#
# 0 AMB 20-2:3114 0 AMB 20-1:3114 3.50 (# 3114:20 Double Ambig)
&rst
ixpk= 3114, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1755, 616,
igr2=1743, 135, 136,
&end
#
# 0 AMB 20-2:3115 0 AMB 20-1:3115 3.50 (# 3115:20 Double Ambig)
&rst
ixpk= 3115, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2130,1171,
igr2=2474,2475, 135, 136,
&end
#
# 150 GLU HN 149 LYS HB+ 3.50 (# 3116:20 Unique 2.43, 3.41 A)
&rst
ixpk= 3116, nxpk= 20, iat=2492, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2474,2475,
&end
#
# 0 AMB 20-2:3117 0 AMB 20-1:3117 2.60 (# 3117:20 Double Ambig)
&rst
ixpk= 3117, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2470,2263,
igr2=2474,2475,2251,
&end
#
# 0 AMB 20-2:3131 0 AMB 20-1:3131 5.50 (# 3131:20 Double Ambig)
&rst
ixpk= 3131, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
igr2=1759,1760,1759,1760,
&end
#
# 104 LEU MDX 106 SER HB- 5.50 (# 3132:20 Unique 3.78, 5.79 A)
&rst
ixpk= 3132, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1729,1730,1731,1733,1734,1735,
igr2=1759,1760,
&end
#
# 110 GLU HG- 106 SER HB+ 5.50 (# 3133:20 Unique 2.00, 2.99 A)
&rst
ixpk= 3133, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1802,1803,
igr2=1759,1760,
&end
#
# 110 GLU HG+ 106 SER HB+ 5.50 (# 3134:20 Unique 2.00, 2.99 A)
&rst
ixpk= 3134, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1802,1803,
igr2=1759,1760,
&end
#
# 110 GLU HG- 106 SER HB- 4.40 (# 3135:20 Unique 2.00, 2.99 A)
&rst
ixpk= 3135, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1802,1803,
igr2=1759,1760,
&end
#
# 110 GLU HG+ 106 SER HB- 4.40 (# 3136:20 Unique 2.00, 2.99 A)
&rst
ixpk= 3136, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1802,1803,
igr2=1759,1760,
&end
#
# 64 ASP HB+ 106 SER HB- 5.50 (# 3137:20 Unique 1.97, 3.67 A)
&rst
ixpk= 3137, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 997, 998,
igr2=1759,1760,
&end
#
# 64 ASP HB+ 106 SER HB+ 5.50 (# 3138:20 Unique 1.97, 3.67 A)
&rst
ixpk= 3138, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 997, 998,
igr2=1759,1760,
&end
#
# 106 SER HN 106 SER HB+ 3.50 (# 3141:20 Unique 2.08, 2.72 A)
&rst
ixpk= 3141, nxpk= 20, iat=1755, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1759,1760,
&end
#
# 106 SER HN 106 SER HB- 3.50 (# 3142:20 Unique 2.08, 2.72 A)
&rst
ixpk= 3142, nxpk= 20, iat=1755, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1759,1760,
&end
#
# 107 GLY HN 106 SER HB+ 3.50 (# 3143:20 Unique 1.94, 2.54 A)
&rst
ixpk= 3143, nxpk= 20, iat=1766, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1759,1760,
&end
#
# 107 GLY HN 106 SER HB- 3.50 (# 3144:20 Unique 1.94, 2.54 A)
&rst
ixpk= 3144, nxpk= 20, iat=1766, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1759,1760,
&end
#
# 0 AMB 20-2:3145 107 GLY HA- 2.60 (# 3145:20 Single Ambig)
&rst
ixpk= 3145, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1773,1766,
igr2=1768,1769,
&end
#
# 104 LEU HN 107 GLY HA- 5.50 (# 3146:20 Unique 6.17, 7.35 A)
&rst
ixpk= 3146, nxpk= 20, iat=1720, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1768,1769,
&end
#
# 108 ASP HN 108 ASP HA 2.60 (# 3149:20 Unique 2.76, 2.83 A)
&rst
ixpk= 3149, nxpk= 20, iat=1773,1775, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 109 ALA HN 108 ASP HA 3.50 (# 3150:20 Unique 3.36, 3.44 A)
&rst
ixpk= 3150, nxpk= 20, iat=1785,1775, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 110 GLU HN 108 ASP HA 5.50 (# 3151:20 Unique 3.36, 3.58 A)
&rst
ixpk= 3151, nxpk= 20, iat=1795,1775, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 108 ASP HB+ 108 ASP HA 2.60 (# 3154:20 Unique 2.30, 2.47 A)
&rst
ixpk= 3154, nxpk= 20, iat= -1,1775, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1777,1778,
&end
#
# 0 AMB 20-2:3155 108 ASP HA 4.40 (# 3155:20 Single Ambig)
&rst
ixpk= 3155, nxpk= 20, iat= -1,1775, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1814,1789,1790,1791,
&end
#
# 111 ILE HG1- 108 ASP HA 5.50 (# 3156:20 Unique 1.95, 2.75 A)
&rst
ixpk= 3156, nxpk= 20, iat= -1,1775, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1820,1821,
&end
#
# 104 LEU MDY 108 ASP HA 2.60 (# 3157:20 Unique 2.12, 4.44 A)
&rst
ixpk= 3157, nxpk= 20, iat= -1,1775, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1729,1730,1731,1733,1734,1735,
&end
#
# 111 ILE QG2 0 AMB 20-1:3158 4.40 (# 3158:20 Single Ambig)
&rst
ixpk= 3158, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1816,1817,1818,
igr2=1845,1775,
&end
#
# 111 ILE QD1 108 ASP HA 3.50 (# 3159:20 Unique 1.94, 3.10 A)
&rst
ixpk= 3159, nxpk= 20, iat= -1,1775, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1823,1824,1825,
&end
#
# 0 AMB 20-2:3160 113 MET HA 2.60 (# 3160:20 Single Ambig)
&rst
ixpk= 3160, nxpk= 20, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 3.40, r4= 4.15,
igr1=1847,1848,1854,1855,1856,
&end
#
# 0 AMB 20-2:3161 0 AMB 20-1:3161 4.40 (# 3161:20 Double Ambig)
&rst
ixpk= 3161, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1=1789,1790,1791, 248, 249, 924,
igr2=1777,1778,1777,1778,1777,1778,
&end
#
# 108 ASP HA 108 ASP HB+ 2.60 (# 3162:20 Unique 2.30, 2.47 A)
&rst
ixpk= 3162, nxpk= 20, iat=1775, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1777,1778,
&end
#
# 126 TRP HH2 108 ASP HB+ 4.40 (# 3163:20 Unique 1.99, 3.80 A)
&rst
ixpk= 3163, nxpk= 20, iat=2058, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1777,1778,
&end
#
# 0 AMB 20-2:3164 0 AMB 20-1:3164 3.50 (# 3164:20 Double Ambig)
&rst
ixpk= 3164, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2051, 282,
igr2=1777,1778,1777,1778,
&end
#
# 108 ASP HN 108 ASP HB+ 3.50 (# 3165:20 Unique 2.24, 2.95 A)
&rst
ixpk= 3165, nxpk= 20, iat=1773, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1777,1778,
&end
#
# 109 ALA MB 109 ALA HA 2.60 (# 3166:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3166, nxpk= 20, iat= -1,1787, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr1=1789,1790,1791,
&end
#
# 108 ASP HB+ 109 ALA HA 5.50 (# 3167:20 Unique 4.24, 5.27 A)
&rst
ixpk= 3167, nxpk= 20, iat= -1,1787, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1777,1778,
&end
#
# 111 ILE HN 109 ALA HA 5.50 (# 3168:20 Unique 3.74, 3.93 A)
&rst
ixpk= 3168, nxpk= 20, iat=1810,1787, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 110 GLU HN 109 ALA HA 3.50 (# 3169:20 Unique 3.33, 3.44 A)
&rst
ixpk= 3169, nxpk= 20, iat=1795,1787, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 109 ALA HN 109 ALA HA 3.50 (# 3170:20 Unique 2.76, 2.80 A)
&rst
ixpk= 3170, nxpk= 20, iat=1785,1787, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 108 ASP HN 109 ALA HA 5.50 (# 3171:20 Unique 4.94, 5.12 A)
&rst
ixpk= 3171, nxpk= 20, iat=1773,1787, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:3172 109 ALA MB 4.40 (# 3172:20 Single Ambig)
&rst
ixpk= 3172, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1773,1766,
igr2=1789,1790,1791,
&end
#
# 109 ALA HN 109 ALA MB 2.60 (# 3173:20 Unique 2.07, 2.88 A)
&rst
ixpk= 3173, nxpk= 20, iat=1785, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2=1789,1790,1791,
&end
#
# 110 GLU HN 109 ALA MB 3.50 (# 3174:20 Unique 2.82, 3.75 A)
&rst
ixpk= 3174, nxpk= 20, iat=1795, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1789,1790,1791,
&end
#
# 111 ILE HN 109 ALA MB 5.50 (# 3175:20 Unique 4.95, 5.41 A)
&rst
ixpk= 3175, nxpk= 20, iat=1810, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1789,1790,1791,
&end
#
# 109 ALA HA 109 ALA MB 2.60 (# 3176:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3176, nxpk= 20, iat=1787, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2=1789,1790,1791,
&end
#
# 0 AMB 20-2:3177 109 ALA MB 3.50 (# 3177:20 Single Ambig)
&rst
ixpk= 3177, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1768,1769,1797,
igr2=1789,1790,1791,
&end
#
# 110 GLU HB- 109 ALA MB 4.40 (# 3179:20 Unique 4.51, 6.23 A)
&rst
ixpk= 3179, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1799,1800,
igr2=1789,1790,1791,
&end
#
# 104 LEU MDY 109 ALA MB 5.50 (# 3180:20 Unique 6.25, 8.91 A)
&rst
ixpk= 3180, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1729,1730,1731,1733,1734,1735,
igr2=1789,1790,1791,
&end
#
# 0 AMB 20-2:3181 109 ALA MB 5.50 (# 3181:20 Single Ambig)
&rst
ixpk= 3181, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
igr2=1789,1790,1791,
&end
#
# 0 AMB 20-2:3183 110 GLU HA 4.40 (# 3183:20 Single Ambig)
&rst
ixpk= 3183, nxpk= 20, iat= -1,1797, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
&end
#
# 110 GLU HB- 110 GLU HA 2.60 (# 3184:20 Unique 2.40, 2.79 A)
&rst
ixpk= 3184, nxpk= 20, iat= -1,1797, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1799,1800,
&end
#
# 110 GLU HB+ 110 GLU HA 2.60 (# 3185:20 Unique 2.40, 2.79 A)
&rst
ixpk= 3185, nxpk= 20, iat= -1,1797, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1799,1800,
&end
#
# 110 GLU HG+ 110 GLU HA 3.50 (# 3186:20 Unique 2.58, 3.27 A)
&rst
ixpk= 3186, nxpk= 20, iat= -1,1797, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1802,1803,
&end
#
# 0 AMB 20-2:3187 0 AMB 20-1:3187 2.60 (# 3187:20 Double Ambig)
&rst
ixpk= 3187, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=1802,1803,2651,2652,
igr2=1797,2610,
&end
#
# 111 ILE HN 110 GLU HA 2.65 (# 3188:20 Unique 3.32, 3.43 A)
&rst
ixpk= 3188, nxpk= 20, iat=1810,1797, r1= 0.00, r2= 1.80, r3= 2.65, r4= 3.40, &end
#
# 110 GLU HN 110 GLU HA 3.50 (# 3190:20 Unique 2.82, 2.88 A)
&rst
ixpk= 3190, nxpk= 20, iat=1795,1797, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:3192 0 AMB 20-1:3192 5.50 (# 3192:20 Double Ambig)
&rst
ixpk= 3192, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1785,2580,
igr2=1797,2610,
&end
#
# 110 GLU HN 110 GLU HB- 2.60 (# 3194:20 Unique 2.10, 2.93 A)
&rst
ixpk= 3194, nxpk= 20, iat=1795, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1799,1800,
&end
#
# 110 GLU HN 110 GLU HB+ 2.60 (# 3195:20 Unique 2.10, 2.93 A)
&rst
ixpk= 3195, nxpk= 20, iat=1795, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1799,1800,
&end
#
# 110 GLU HA 110 GLU HB- 3.50 (# 3196:20 Unique 2.40, 2.79 A)
&rst
ixpk= 3196, nxpk= 20, iat=1797, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1799,1800,
&end
#
# 106 SER HB+ 110 GLU HB+ 2.60 (# 3197:20 Unique 2.57, 4.20 A)
&rst
ixpk= 3197, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1759,1760,
igr2=1799,1800,
&end
#
# 159 GLN HA 159 GLN HB+ 2.60 (# 3198:20 Unique 2.29, 2.46 A)
&rst
ixpk= 3198, nxpk= 20, iat=2629, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2631,2632,
&end
#
# 0 AMB 20-2:3199 110 GLU HB- 5.50 (# 3199:20 Single Ambig)
&rst
ixpk= 3199, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1775, 846,
igr2=1799,1800,
&end
#
# 110 GLU HG+ 110 GLU HB- 3.50 (# 3200:20 Unique 2.25, 2.58 A)
&rst
ixpk= 3200, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1802,1803,
igr2=1799,1800,
&end
#
# 110 GLU HG- 110 GLU HB- 3.50 (# 3201:20 Unique 2.25, 2.58 A)
&rst
ixpk= 3201, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1802,1803,
igr2=1799,1800,
&end
#
# 110 GLU HG+ 110 GLU HB+ 2.60 (# 3202:20 Unique 2.25, 2.58 A)
&rst
ixpk= 3202, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1802,1803,
igr2=1799,1800,
&end
#
# 0 AMB 20-2:3203 0 AMB 20-1:3203 3.50 (# 3203:20 Double Ambig)
&rst
ixpk= 3203, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
igr2=1799,1800,1799,1800,
&end
#
# 0 AMB 20-2:3204 0 AMB 20-1:3204 4.40 (# 3204:20 Double Ambig)
&rst
ixpk= 3204, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
igr1=2570,2571,2572,2574,2575,2576,2617,2618,2619,2621,
2622,2623,
igr2=2631,2632,2631,2632,
&end
#
# 104 LEU MDX 110 GLU HB- 5.50 (# 3205:20 Unique 3.31, 5.80 A)
&rst
ixpk= 3205, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1729,1730,1731,1733,1734,1735,
igr2=1799,1800,
&end
#
# 0 AMB 20-2:3206 0 AMB 20-1:3206 3.50 (# 3206:20 Double Ambig)
&rst
ixpk= 3206, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
igr2=1802,1803,1802,1803,
&end
#
# 104 LEU MDX 110 GLU HG+ 5.50 (# 3207:20 Unique 3.48, 6.63 A)
&rst
ixpk= 3207, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1729,1730,1731,1733,1734,1735,
igr2=1802,1803,
&end
#
# 109 ALA MB 110 GLU HG+ 5.50 (# 3208:20 Unique 3.43, 5.54 A)
&rst
ixpk= 3208, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1789,1790,1791,
igr2=1802,1803,
&end
#
# 110 GLU HB- 110 GLU HG+ 2.60 (# 3209:20 Unique 2.25, 2.58 A)
&rst
ixpk= 3209, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1799,1800,
igr2=1802,1803,
&end
#
# 110 GLU HB+ 110 GLU HG+ 2.60 (# 3210:20 Unique 2.25, 2.58 A)
&rst
ixpk= 3210, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1799,1800,
igr2=1802,1803,
&end
#
# 106 SER HB- 110 GLU HG+ 3.50 (# 3212:20 Unique 2.00, 2.99 A)
&rst
ixpk= 3212, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1759,1760,
igr2=1802,1803,
&end
#
# 110 GLU HA 110 GLU HG+ 2.60 (# 3213:20 Unique 2.58, 3.27 A)
&rst
ixpk= 3213, nxpk= 20, iat=1797, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1802,1803,
&end
#
# 110 GLU HN 110 GLU HG+ 3.50 (# 3214:20 Unique 1.97, 3.36 A)
&rst
ixpk= 3214, nxpk= 20, iat=1795, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1802,1803,
&end
#
# 107 GLY HN 110 GLU HG+ 4.40 (# 3215:20 Unique 2.58, 3.81 A)
&rst
ixpk= 3215, nxpk= 20, iat=1766, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1802,1803,
&end
#
# 105 VAL HN 110 GLU HG+ 5.50 (# 3216:20 Unique 5.34, 7.12 A)
&rst
ixpk= 3216, nxpk= 20, iat=1739, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1802,1803,
&end
#
# 84 VAL HN 84 VAL HA 3.50 (# 3217:20 Unique 2.90, 2.92 A)
&rst
ixpk= 3217, nxpk= 20, iat=1364,1366, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 111 ILE QD1 111 ILE HA 5.50 (# 3219:20 Unique 4.34, 4.63 A)
&rst
ixpk= 3219, nxpk= 20, iat= -1,1812, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1823,1824,1825,
&end
#
# 0 AMB 20-2:3220 0 AMB 20-1:3220 3.50 (# 3220:20 Double Ambig)
&rst
ixpk= 3220, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1=1814,1349,1350,1387,1388,
igr2=1812,1366,
&end
#
# 111 ILE QD1 111 ILE HB 3.50 (# 3221:20 Unique 2.30, 3.12 A)
&rst
ixpk= 3221, nxpk= 20, iat= -1,1814, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1823,1824,1825,
&end
#
# 111 ILE QG2 111 ILE HB 3.50 (# 3222:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3222, nxpk= 20, iat= -1,1814, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1816,1817,1818,
&end
#
# 111 ILE HG1- 111 ILE HB 4.40 (# 3223:20 Unique 2.43, 2.75 A)
&rst
ixpk= 3223, nxpk= 20, iat= -1,1814, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1820,1821,
&end
#
# 111 ILE HA 111 ILE HB 4.40 (# 3224:20 Unique 3.02, 3.02 A)
&rst
ixpk= 3224, nxpk= 20, iat=1812,1814, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 111 ILE HN 111 ILE HB 3.50 (# 3225:20 Unique 2.49, 2.60 A)
&rst
ixpk= 3225, nxpk= 20, iat=1810,1814, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 111 ILE HN 111 ILE HG1- 4.40 (# 3226:20 Unique 1.90, 2.63 A)
&rst
ixpk= 3226, nxpk= 20, iat=1810, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1820,1821,
&end
#
# 0 AMB 20-2:3227 111 ILE HG1- 5.50 (# 3227:20 Single Ambig)
&rst
ixpk= 3227, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
igr2=1820,1821,
&end
#
# 111 ILE QG2 111 ILE HG1- 4.40 (# 3228:20 Unique 2.29, 3.49 A)
&rst
ixpk= 3228, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1816,1817,1818,
igr2=1820,1821,
&end
#
# 111 ILE QD1 111 ILE HG1- 4.40 (# 3229:20 Unique 2.21, 2.62 A)
&rst
ixpk= 3229, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1823,1824,1825,
igr2=1820,1821,
&end
#
# 111 ILE QD1 111 ILE HG1+ 4.40 (# 3230:20 Unique 2.21, 2.62 A)
&rst
ixpk= 3230, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1823,1824,1825,
igr2=1820,1821,
&end
#
# 111 ILE QG2 111 ILE HG1+ 5.50 (# 3231:20 Unique 2.29, 3.49 A)
&rst
ixpk= 3231, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1816,1817,1818,
igr2=1820,1821,
&end
#
# 111 ILE HA 111 ILE HG1+ 5.50 (# 3232:20 Unique 2.46, 2.78 A)
&rst
ixpk= 3232, nxpk= 20, iat=1812, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1820,1821,
&end
#
# 111 ILE QG2 111 ILE QD1 2.60 (# 3233:20 Unique 1.99, 3.65 A)
&rst
ixpk= 3233, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.75, r4= 4.50,
igr1=1816,1817,1818,
igr2=1823,1824,1825,
&end
#
# 111 ILE HG1+ 111 ILE QD1 3.50 (# 3234:20 Unique 2.21, 2.62 A)
&rst
ixpk= 3234, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1820,1821,
igr2=1823,1824,1825,
&end
#
# 0 AMB 20-2:3235 111 ILE QD1 4.40 (# 3235:20 Single Ambig)
&rst
ixpk= 3235, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
igr2=1823,1824,1825,
&end
#
# 0 AMB 20-2:3236 111 ILE QD1 4.40 (# 3236:20 Single Ambig)
&rst
ixpk= 3236, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1= 900, 901, 902, 904, 905, 906, 900, 901, 902, 904,
905, 906,
igr2=1823,1824,1825,
&end
#
# 104 LEU MDY 111 ILE QD1 3.50 (# 3237:20 Unique 2.64, 6.14 A)
&rst
ixpk= 3237, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1729,1730,1731,1733,1734,1735,
igr2=1823,1824,1825,
&end
#
# 23 MET ME 111 ILE QD1 3.50 (# 3238:20 Unique 1.99, 4.66 A)
&rst
ixpk= 3238, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 350, 351, 352,
igr2=1823,1824,1825,
&end
#
# 111 ILE HB 111 ILE QD1 3.50 (# 3239:20 Unique 2.30, 3.12 A)
&rst
ixpk= 3239, nxpk= 20, iat=1814, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1823,1824,1825,
&end
#
# 108 ASP HB+ 111 ILE QD1 4.40 (# 3240:20 Unique 1.93, 3.50 A)
&rst
ixpk= 3240, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1777,1778,
igr2=1823,1824,1825,
&end
#
# 111 ILE HA 111 ILE QD1 5.50 (# 3241:20 Unique 4.34, 4.63 A)
&rst
ixpk= 3241, nxpk= 20, iat=1812, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1823,1824,1825,
&end
#
# 108 ASP HA 111 ILE QD1 3.50 (# 3242:20 Unique 1.94, 3.10 A)
&rst
ixpk= 3242, nxpk= 20, iat=1775, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1823,1824,1825,
&end
#
# 111 ILE HN 111 ILE QD1 5.50 (# 3243:20 Unique 3.57, 4.30 A)
&rst
ixpk= 3243, nxpk= 20, iat=1810, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1823,1824,1825,
&end
#
# 126 TRP HD1 111 ILE QD1 4.40 (# 3244:20 Unique 5.71, 6.68 A)
&rst
ixpk= 3244, nxpk= 20, iat=2051, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=1823,1824,1825,
&end
#
# 112 ASN HN 111 ILE QG2 3.50 (# 3246:20 Unique 2.65, 3.91 A)
&rst
ixpk= 3246, nxpk= 20, iat=1829, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1816,1817,1818,
&end
#
# 111 ILE HN 111 ILE QG2 4.40 (# 3247:20 Unique 4.38, 4.53 A)
&rst
ixpk= 3247, nxpk= 20, iat=1810, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=1816,1817,1818,
&end
#
# 0 AMB 20-2:3248 111 ILE QG2 5.50 (# 3248:20 Single Ambig)
&rst
ixpk= 3248, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1966,1970,2058,
igr2=1816,1817,1818,
&end
#
# 58 VAL HA 111 ILE QG2 4.40 (# 3251:20 Unique 2.39, 3.77 A)
&rst
ixpk= 3251, nxpk= 20, iat= 896, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=1816,1817,1818,
&end
#
# 111 ILE HA 111 ILE QG2 3.50 (# 3252:20 Unique 2.32, 3.11 A)
&rst
ixpk= 3252, nxpk= 20, iat=1812, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1816,1817,1818,
&end
#
# 113 MET HG+ 111 ILE QG2 3.50 (# 3253:20 Unique 1.98, 3.15 A)
&rst
ixpk= 3253, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1850,1851,
igr2=1816,1817,1818,
&end
#
# 58 VAL HB 111 ILE QG2 5.50 (# 3254:20 Unique 2.37, 5.25 A)
&rst
ixpk= 3254, nxpk= 20, iat= 898, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1816,1817,1818,
&end
#
# 0 AMB 20-2:3255 111 ILE QG2 3.50 (# 3255:20 Single Ambig)
&rst
ixpk= 3255, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1=1854,1855,1856,1847,1848,
igr2=1816,1817,1818,
&end
#
# 111 ILE HB 111 ILE QG2 2.60 (# 3256:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3256, nxpk= 20, iat=1814, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2=1816,1817,1818,
&end
#
# 0 AMB 20-2:3257 111 ILE QG2 3.50 (# 3257:20 Single Ambig)
&rst
ixpk= 3257, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1=1820,1821, 350, 351, 352,
igr2=1816,1817,1818,
&end
#
# 58 VAL MGY 111 ILE QG2 2.60 (# 3258:20 Unique 1.99, 5.01 A)
&rst
ixpk= 3258, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1= 900, 901, 902, 904, 905, 906,
igr2=1816,1817,1818,
&end
#
# 0 AMB 20-2:3259 111 ILE QG2 3.50 (# 3259:20 Single Ambig)
&rst
ixpk= 3259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
igr2=1816,1817,1818,
&end
#
# 111 ILE HG1+ 111 ILE QG2 3.50 (# 3260:20 Unique 2.29, 3.49 A)
&rst
ixpk= 3260, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1820,1821,
igr2=1816,1817,1818,
&end
#
# 111 ILE QD1 111 ILE QG2 2.60 (# 3261:20 Unique 1.99, 3.65 A)
&rst
ixpk= 3261, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.75, r4= 4.50,
igr1=1823,1824,1825,
igr2=1816,1817,1818,
&end
#
# 0 AMB 20-2:3266 0 AMB 20-1:3266 2.60 (# 3266:20 Double Ambig)
&rst
ixpk= 3266, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=2659,1829,
igr2=2663,2664,1833,1834,
&end
#
# 161 ASN HD2+ 161 ASN HB- 2.60 (# 3267:20 Unique 2.11, 3.39 A)
&rst
ixpk= 3267, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2668,2669,
igr2=2663,2664,
&end
#
# 161 ASN HD2- 161 ASN HB- 3.50 (# 3268:20 Unique 2.11, 3.39 A)
&rst
ixpk= 3268, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2668,2669,
igr2=2663,2664,
&end
#
# 0 AMB 20-2:3269 161 ASN HB- 4.40 (# 3269:20 Single Ambig)
&rst
ixpk= 3269, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2610,2629,
igr2=2663,2664,
&end
#
# 0 AMB 20-2:3270 0 AMB 20-1:3270 4.40 (# 3270:20 Double Ambig)
&rst
ixpk= 3270, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1=2651,2652,1867,1868,1864,1865,
igr2=2663,2664,1833,1834,1833,1834,
&end
#
# 111 ILE QG2 112 ASN HB+ 5.50 (# 3271:20 Unique 4.74, 6.19 A)
&rst
ixpk= 3271, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1816,1817,1818,
igr2=1833,1834,
&end
#
# 162 THR HN 161 ASN HB+ 5.50 (# 3272:20 Unique 2.84, 3.87 A)
&rst
ixpk= 3272, nxpk= 20, iat=2673, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2663,2664,
&end
#
# 162 THR HN 161 ASN HB- 5.50 (# 3273:20 Unique 2.84, 3.87 A)
&rst
ixpk= 3273, nxpk= 20, iat=2673, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2663,2664,
&end
#
# 161 ASN HD2- 161 ASN HB+ 4.40 (# 3274:20 Unique 2.11, 3.39 A)
&rst
ixpk= 3274, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2668,2669,
igr2=2663,2664,
&end
#
# 0 AMB 20-2:3276 0 AMB 20-1:3276 5.50 (# 3276:20 Double Ambig)
&rst
ixpk= 3276, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1883,1884,1885, 900, 901, 902, 904, 905, 906,
igr2=1833,1834,1833,1834,
&end
#
# 113 MET HG+ 113 MET HA 2.63 (# 3278:20 Unique 2.46, 3.06 A)
&rst
ixpk= 3278, nxpk= 20, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 2.95, r4= 3.70,
igr1=1850,1851,
&end
#
# 113 MET HG- 113 MET HB+ 2.60 (# 3279:20 Unique 2.21, 2.68 A)
&rst
ixpk= 3279, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1850,1851,
igr2=1847,1848,
&end
#
# 113 MET HG+ 113 MET HB+ 2.60 (# 3280:20 Unique 2.21, 2.68 A)
&rst
ixpk= 3280, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1850,1851,
igr2=1847,1848,
&end
#
# 113 MET HA 113 MET HB+ 3.50 (# 3281:20 Unique 2.33, 2.73 A)
&rst
ixpk= 3281, nxpk= 20, iat=1845, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1847,1848,
&end
#
# 114 GLN HN 113 MET HB+ 5.50 (# 3282:20 Unique 3.65, 4.26 A)
&rst
ixpk= 3282, nxpk= 20, iat=1860, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1847,1848,
&end
#
# 113 MET HN 113 MET HB+ 3.50 (# 3283:20 Unique 2.33, 3.33 A)
&rst
ixpk= 3283, nxpk= 20, iat=1843, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1847,1848,
&end
#
# 113 MET HN 113 MET HG+ 5.50 (# 3285:20 Unique 2.36, 3.17 A)
&rst
ixpk= 3285, nxpk= 20, iat=1843, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1850,1851,
&end
#
# 113 MET HN 113 MET HG- 4.40 (# 3286:20 Unique 2.36, 3.17 A)
&rst
ixpk= 3286, nxpk= 20, iat=1843, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1850,1851,
&end
#
# 113 MET HA 113 MET HG+ 3.50 (# 3289:20 Unique 2.46, 3.06 A)
&rst
ixpk= 3289, nxpk= 20, iat=1845, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1850,1851,
&end
#
# 113 MET HA 113 MET HG- 3.50 (# 3290:20 Unique 2.46, 3.06 A)
&rst
ixpk= 3290, nxpk= 20, iat=1845, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1850,1851,
&end
#
# 0 AMB 20-2:3293 113 MET HG- 2.60 (# 3293:20 Single Ambig)
&rst
ixpk= 3293, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.82, r4= 4.57,
igr1=1854,1855,1856,1847,1848,
igr2=1850,1851,
&end
#
# 0 AMB 20-2:3294 0 AMB 20-1:3294 2.60 (# 3294:20 Double Ambig)
&rst
ixpk= 3294, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.28, r4= 5.03,
igr1=1854,1855,1856,1847,1848,
igr2=1850,1851,1850,1851,
&end
#
# 58 VAL MGY 113 MET HG- 5.50 (# 3295:20 Unique 2.95, 6.32 A)
&rst
ixpk= 3295, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 900, 901, 902, 904, 905, 906,
igr2=1850,1851,
&end
#
# 58 VAL MGY 113 MET HG+ 4.40 (# 3296:20 Unique 2.95, 6.32 A)
&rst
ixpk= 3296, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 900, 901, 902, 904, 905, 906,
igr2=1850,1851,
&end
#
# 111 ILE QG2 113 MET HG+ 5.50 (# 3297:20 Unique 1.98, 3.15 A)
&rst
ixpk= 3297, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1816,1817,1818,
igr2=1850,1851,
&end
#
# 111 ILE QG2 113 MET HG- 3.50 (# 3298:20 Unique 1.98, 3.15 A)
&rst
ixpk= 3298, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1816,1817,1818,
igr2=1850,1851,
&end
#
# 113 MET HN 114 GLN HA 5.50 (# 3299:20 Unique 4.36, 4.93 A)
&rst
ixpk= 3299, nxpk= 20, iat=1843,1862, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 114 GLN HN 114 GLN HA 3.50 (# 3300:20 Unique 2.91, 2.93 A)
&rst
ixpk= 3300, nxpk= 20, iat=1860,1862, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 115 THR HN 114 GLN HA 3.50 (# 3301:20 Unique 3.08, 3.11 A)
&rst
ixpk= 3301, nxpk= 20, iat=1877,1862, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:3303 114 GLN HA 5.50 (# 3303:20 Single Ambig)
&rst
ixpk= 3303, nxpk= 20, iat= -1,1862, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1881, 912, 913,1917,
&end
#
# 0 AMB 20-2:3305 114 GLN HA 2.60 (# 3305:20 Single Ambig)
&rst
ixpk= 3305, nxpk= 20, iat= -1,1862, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1864,1865,1867,1868,
&end
#
# 0 AMB 20-2:3306 114 GLN HA 3.50 (# 3306:20 Single Ambig)
&rst
ixpk= 3306, nxpk= 20, iat= -1,1862, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1934,1935,1864,1865,
&end
#
# 119 PRO HG+ 114 GLN HA 4.40 (# 3307:20 Unique 2.95, 4.49 A)
&rst
ixpk= 3307, nxpk= 20, iat= -1,1862, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1931,1932,
&end
#
# 119 PRO HG- 114 GLN HA 5.50 (# 3308:20 Unique 2.95, 4.49 A)
&rst
ixpk= 3308, nxpk= 20, iat= -1,1862, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1931,1932,
&end
#
# 0 AMB 20-2:3309 0 AMB 20-1:3309 2.60 (# 3309:20 Double Ambig)
&rst
ixpk= 3309, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=1862, 672,
igr2=1864,1865, 725, 726,
&end
#
# 114 GLN HA 114 GLN HB- 2.60 (# 3310:20 Unique 2.39, 2.45 A)
&rst
ixpk= 3310, nxpk= 20, iat=1862, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1864,1865,
&end
#
# 114 GLN HN 114 GLN HB- 3.50 (# 3312:20 Unique 2.66, 3.38 A)
&rst
ixpk= 3312, nxpk= 20, iat=1860, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1864,1865,
&end
#
# 114 GLN HN 114 GLN HB+ 3.50 (# 3313:20 Unique 2.66, 3.38 A)
&rst
ixpk= 3313, nxpk= 20, iat=1860, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1864,1865,
&end
#
# 113 MET HN 114 GLN HB- 5.50 (# 3314:20 Unique 3.73, 5.11 A)
&rst
ixpk= 3314, nxpk= 20, iat=1843, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1864,1865,
&end
#
# 48 GLN HN 48 GLN HB+ 4.40 (# 3316:20 Unique 2.40, 3.05 A)
&rst
ixpk= 3316, nxpk= 20, iat= 721, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 725, 726,
&end
#
# 0 AMB 20-2:3317 0 AMB 20-1:3317 3.50 (# 3317:20 Double Ambig)
&rst
ixpk= 3317, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 723, 689, 690,
igr2= 725, 726, 725, 726,
&end
#
# 0 AMB 20-2:3318 0 AMB 20-1:3318 2.60 (# 3318:20 Double Ambig)
&rst
ixpk= 3318, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=1486,1862,
igr2=1483,1484,1867,1868,
&end
#
# 0 AMB 20-2:3319 0 AMB 20-1:3319 4.40 (# 3319:20 Double Ambig)
&rst
ixpk= 3319, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 301, 302,1879,
igr2=2634,2635,1867,1868,
&end
#
# 0 AMB 20-2:3320 0 AMB 20-1:3320 2.60 (# 3320:20 Double Ambig)
&rst
ixpk= 3320, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=1864,1865,2631,2632,
igr2=1867,1868,2634,2635,2634,2635,
&end
#
# 115 THR MG2 115 THR HA 2.60 (# 3321:20 Unique 1.99, 2.81 A)
&rst
ixpk= 3321, nxpk= 20, iat= -1,1879, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr1=1883,1884,1885,
&end
#
# 115 THR HB 115 THR HA 2.60 (# 3322:20 Unique 2.67, 2.83 A)
&rst
ixpk= 3322, nxpk= 20, iat=1881,1879, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 115 THR HN 115 THR HA 3.50 (# 3324:20 Unique 2.74, 2.76 A)
&rst
ixpk= 3324, nxpk= 20, iat=1877,1879, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 116 SER HN 115 THR HA 3.50 (# 3325:20 Unique 3.48, 3.55 A)
&rst
ixpk= 3325, nxpk= 20, iat=1891,1879, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 115 THR HN 115 THR HB 3.50 (# 3326:20 Unique 3.17, 3.35 A)
&rst
ixpk= 3326, nxpk= 20, iat=1877,1881, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 116 SER HN 115 THR HB 2.60 (# 3327:20 Unique 2.10, 2.49 A)
&rst
ixpk= 3327, nxpk= 20, iat=1891,1881, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 118 THR HA 118 THR HB 2.60 (# 3328:20 Unique 2.56, 2.65 A)
&rst
ixpk= 3328, nxpk= 20, iat=1915,1917, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 116 SER HB- 0 AMB 20-1:3329 4.40 (# 3329:20 Single Ambig)
&rst
ixpk= 3329, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1895,1896,
igr2=1881,1917,
&end
#
# 119 PRO HD+ 118 THR HB 4.40 (# 3330:20 Unique 3.44, 4.11 A)
&rst
ixpk= 3330, nxpk= 20, iat= -1,1917, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1928,1929,
&end
#
# 119 PRO HD- 118 THR HB 4.40 (# 3331:20 Unique 3.44, 4.11 A)
&rst
ixpk= 3331, nxpk= 20, iat= -1,1917, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1928,1929,
&end
#
# 0 AMB 20-2:3332 0 AMB 20-1:3332 5.50 (# 3332:20 Double Ambig)
&rst
ixpk= 3332, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1867,1868,1864,1865,1864,1865,
igr2=1881,1917,
&end
#
# 115 THR MG2 115 THR HB 2.60 (# 3333:20 Unique 2.25, 2.64 A)
&rst
ixpk= 3333, nxpk= 20, iat= -1,1881, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr1=1883,1884,1885,
&end
#
# 118 THR MG2 118 THR HB 2.60 (# 3334:20 Unique 2.33, 2.64 A)
&rst
ixpk= 3334, nxpk= 20, iat= -1,1917, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr1=1919,1920,1921,
&end
#
# 0 AMB 20-2:3336 116 SER HB- 5.50 (# 3336:20 Single Ambig)
&rst
ixpk= 3336, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1934,1935, 442, 443, 871, 872,
igr2=1895,1896,
&end
#
# 0 AMB 20-2:3337 0 AMB 20-1:3337 5.50 (# 3337:20 Double Ambig)
&rst
ixpk= 3337, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 442, 443, 871, 872,
igr2=1895,1896,1895,1896,
&end
#
# 0 AMB 20-2:3338 116 SER HB- 5.50 (# 3338:20 Single Ambig)
&rst
ixpk= 3338, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1937,1915,
igr2=1895,1896,
&end
#
# 119 PRO HA 116 SER HB+ 5.50 (# 3339:20 Unique 3.62, 4.34 A)
&rst
ixpk= 3339, nxpk= 20, iat=1937, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1895,1896,
&end
#
# 116 SER HA 116 SER HB+ 2.60 (# 3340:20 Unique 2.37, 2.79 A)
&rst
ixpk= 3340, nxpk= 20, iat=1893, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1895,1896,
&end
#
# 116 SER HA 116 SER HB- 2.60 (# 3343:20 Unique 2.37, 2.79 A)
&rst
ixpk= 3343, nxpk= 20, iat=1893, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1895,1896,
&end
#
# 116 SER HN 116 SER HB+ 2.60 (# 3344:20 Unique 2.11, 2.79 A)
&rst
ixpk= 3344, nxpk= 20, iat=1891, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1895,1896,
&end
#
# 115 THR HN 116 SER HB- 5.50 (# 3345:20 Unique 4.89, 5.63 A)
&rst
ixpk= 3345, nxpk= 20, iat=1877, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1895,1896,
&end
#
# 116 SER HN 116 SER HB- 2.60 (# 3346:20 Unique 2.11, 2.79 A)
&rst
ixpk= 3346, nxpk= 20, iat=1891, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1895,1896,
&end
#
# 117 SER HN 116 SER HB- 3.50 (# 3347:20 Unique 2.43, 3.39 A)
&rst
ixpk= 3347, nxpk= 20, iat=1902, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1895,1896,
&end
#
# 117 SER HN 116 SER HB+ 2.60 (# 3348:20 Unique 2.43, 3.39 A)
&rst
ixpk= 3348, nxpk= 20, iat=1902, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1895,1896,
&end
#
# 117 SER HN 117 SER HB+ 2.60 (# 3350:20 Unique 2.14, 3.06 A)
&rst
ixpk= 3350, nxpk= 20, iat=1902, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1906,1907,
&end
#
# 117 SER HN 117 SER HB- 2.60 (# 3351:20 Unique 2.14, 3.06 A)
&rst
ixpk= 3351, nxpk= 20, iat=1902, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1906,1907,
&end
#
# 118 THR HN 117 SER HB+ 3.50 (# 3352:20 Unique 2.17, 2.91 A)
&rst
ixpk= 3352, nxpk= 20, iat=1913, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1906,1907,
&end
#
# 118 THR HN 117 SER HB- 3.50 (# 3353:20 Unique 2.17, 2.91 A)
&rst
ixpk= 3353, nxpk= 20, iat=1913, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1906,1907,
&end
#
# 0 AMB 20-2:3356 0 AMB 20-1:3356 4.40 (# 3356:20 Double Ambig)
&rst
ixpk= 3356, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=2608,2548,
igr2=2601,2602,2601,2602,
&end
#
# 118 THR MG2 117 SER HB+ 4.40 (# 3361:20 Unique 2.94, 4.85 A)
&rst
ixpk= 3361, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1919,1920,1921,
igr2=1906,1907,
&end
#
# 118 THR MG2 117 SER HB- 4.40 (# 3362:20 Unique 2.94, 4.85 A)
&rst
ixpk= 3362, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1919,1920,1921,
igr2=1906,1907,
&end
#
# 118 THR HN 118 THR HB 3.50 (# 3363:20 Unique 3.53, 3.61 A)
&rst
ixpk= 3363, nxpk= 20, iat=1913,1917, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 28 PHE HE 0 AMB 20-1:3364 4.40 (# 3364:20 Single Ambig)
&rst
ixpk= 3364, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 448, 452,
igr2=1917,1881,
&end
#
# 55 PHE HD 115 THR HB 5.50 (# 3365:20 Unique 4.64, 7.94 A)
&rst
ixpk= 3365, nxpk= 20, iat= -1,1881, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 852, 860,
&end
#
# 118 THR HN 118 THR MG2 3.50 (# 3366:20 Unique 3.23, 4.12 A)
&rst
ixpk= 3366, nxpk= 20, iat=1913, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1919,1920,1921,
&end
#
# 120 GLU HN 118 THR MG2 5.90 (# 3367:20 Unique 6.85, 8.04 A)
&rst
ixpk= 3367, nxpk= 20, iat=1941, -1, r1= 0.00, r2= 1.80, r3= 7.09, r4= 7.84,
igr2=1919,1920,1921,
&end
#
# 117 SER HN 118 THR MG2 5.50 (# 3368:20 Unique 5.58, 6.70 A)
&rst
ixpk= 3368, nxpk= 20, iat=1902, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1919,1920,1921,
&end
#
# 28 PHE HE 118 THR MG2 5.50 (# 3369:20 Unique 6.22, 8.02 A)
&rst
ixpk= 3369, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 448, 452,
igr2=1919,1920,1921,
&end
#
# 118 THR HA 118 THR MG2 3.50 (# 3370:20 Unique 2.25, 2.88 A)
&rst
ixpk= 3370, nxpk= 20, iat=1915, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1919,1920,1921,
&end
#
# 118 THR HB 118 THR MG2 2.60 (# 3371:20 Unique 2.33, 2.64 A)
&rst
ixpk= 3371, nxpk= 20, iat=1917, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2=1919,1920,1921,
&end
#
# 119 PRO HD+ 118 THR MG2 3.50 (# 3373:20 Unique 3.16, 4.64 A)
&rst
ixpk= 3373, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1928,1929,
igr2=1919,1920,1921,
&end
#
# 119 PRO HD- 118 THR MG2 3.50 (# 3374:20 Unique 3.16, 4.64 A)
&rst
ixpk= 3374, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1928,1929,
igr2=1919,1920,1921,
&end
#
# 0 AMB 20-2:3375 118 THR MG2 5.50 (# 3375:20 Single Ambig)
&rst
ixpk= 3375, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1867,1868, 442, 443,
igr2=1919,1920,1921,
&end
#
# 0 AMB 20-2:3378 90 PRO HA 5.50 (# 3378:20 Single Ambig)
&rst
ixpk= 3378, nxpk= 20, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1477,1478,1408,1409,
&end
#
# 159 GLN HE2- 159 GLN HG+ 3.50 (# 3380:20 Unique 2.16, 3.27 A)
&rst
ixpk= 3380, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2639,2640,
igr2=2634,2635,
&end
#
# 89 LYS HA 90 PRO HG+ 5.50 (# 3383:20 Unique 4.71, 4.76 A)
&rst
ixpk= 3383, nxpk= 20, iat=1456, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1480,1481,
&end
#
# 120 GLU HB- 120 GLU HA 3.50 (# 3384:20 Unique 2.32, 2.81 A)
&rst
ixpk= 3384, nxpk= 20, iat= -1,1943, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1945,1946,
&end
#
# 120 GLU HG+ 120 GLU HA 3.50 (# 3385:20 Unique 2.27, 3.17 A)
&rst
ixpk= 3385, nxpk= 20, iat= -1,1943, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1948,1949,
&end
#
# 120 GLU HG- 120 GLU HA 3.50 (# 3386:20 Unique 2.27, 3.17 A)
&rst
ixpk= 3386, nxpk= 20, iat= -1,1943, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1948,1949,
&end
#
# 120 GLU HB+ 120 GLU HA 2.60 (# 3387:20 Unique 2.32, 2.81 A)
&rst
ixpk= 3387, nxpk= 20, iat= -1,1943, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1945,1946,
&end
#
# 0 AMB 20-2:3388 120 GLU HA 5.50 (# 3388:20 Single Ambig)
&rst
ixpk= 3388, nxpk= 20, iat= -1,1943, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1931,1932,1847,1848,
&end
#
# 120 GLU HN 120 GLU HA 3.50 (# 3389:20 Unique 2.86, 2.92 A)
&rst
ixpk= 3389, nxpk= 20, iat=1941,1943, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 121 PHE HN 120 GLU HA 5.50 (# 3390:20 Unique 2.83, 3.33 A)
&rst
ixpk= 3390, nxpk= 20, iat=1956,1943, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 121 PHE HN 120 GLU HB+ 5.50 (# 3391:20 Unique 3.14, 3.67 A)
&rst
ixpk= 3391, nxpk= 20, iat=1956, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1945,1946,
&end
#
# 121 PHE HN 120 GLU HB- 5.50 (# 3392:20 Unique 3.14, 3.67 A)
&rst
ixpk= 3392, nxpk= 20, iat=1956, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1945,1946,
&end
#
# 0 AMB 20-2:3393 0 AMB 20-1:3393 3.50 (# 3393:20 Double Ambig)
&rst
ixpk= 3393, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1941, 438,
igr2=1945,1946,1945,1946,
&end
#
# 0 AMB 20-2:3394 120 GLU HB- 4.40 (# 3394:20 Single Ambig)
&rst
ixpk= 3394, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1941, 438,
igr2=1945,1946,
&end
#
# 120 GLU HA 120 GLU HB- 3.50 (# 3398:20 Unique 2.32, 2.81 A)
&rst
ixpk= 3398, nxpk= 20, iat=1943, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1945,1946,
&end
#
# 120 GLU HA 120 GLU HB+ 3.50 (# 3399:20 Unique 2.32, 2.81 A)
&rst
ixpk= 3399, nxpk= 20, iat=1943, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1945,1946,
&end
#
# 120 GLU HG- 120 GLU HB- 3.50 (# 3401:20 Unique 2.28, 2.58 A)
&rst
ixpk= 3401, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1948,1949,
igr2=1945,1946,
&end
#
# 120 GLU HG+ 120 GLU HB+ 2.60 (# 3402:20 Unique 2.28, 2.58 A)
&rst
ixpk= 3402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1948,1949,
igr2=1945,1946,
&end
#
# 120 GLU HG- 120 GLU HB+ 2.60 (# 3403:20 Unique 2.28, 2.58 A)
&rst
ixpk= 3403, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1948,1949,
igr2=1945,1946,
&end
#
# 120 GLU HG+ 120 GLU HB- 3.50 (# 3404:20 Unique 2.28, 2.58 A)
&rst
ixpk= 3404, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1948,1949,
igr2=1945,1946,
&end
#
# 0 AMB 20-2:3405 0 AMB 20-1:3405 5.50 (# 3405:20 Double Ambig)
&rst
ixpk= 3405, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1941, 438,
igr2=1948,1949,1948,1949,
&end
#
# 0 AMB 20-2:3406 120 GLU HG- 4.40 (# 3406:20 Single Ambig)
&rst
ixpk= 3406, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1941, 438,
igr2=1948,1949,
&end
#
# 164 LYS HA 164 LYS HB+ 3.50 (# 3407:20 Unique 2.31, 2.57 A)
&rst
ixpk= 3407, nxpk= 20, iat=2703, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2705,2706,
&end
#
# 120 GLU HA 120 GLU HG- 3.50 (# 3408:20 Unique 2.27, 3.17 A)
&rst
ixpk= 3408, nxpk= 20, iat=1943, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1948,1949,
&end
#
# 120 GLU HB+ 120 GLU HG+ 2.60 (# 3409:20 Unique 2.28, 2.58 A)
&rst
ixpk= 3409, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1945,1946,
igr2=1948,1949,
&end
#
# 120 GLU HB+ 120 GLU HG- 2.60 (# 3410:20 Unique 2.28, 2.58 A)
&rst
ixpk= 3410, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1945,1946,
igr2=1948,1949,
&end
#
# 120 GLU HB- 120 GLU HG+ 3.50 (# 3411:20 Unique 2.28, 2.58 A)
&rst
ixpk= 3411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1945,1946,
igr2=1948,1949,
&end
#
# 120 GLU HB- 120 GLU HG- 3.50 (# 3412:20 Unique 2.28, 2.58 A)
&rst
ixpk= 3412, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1945,1946,
igr2=1948,1949,
&end
#
# 140 LYS HG+ 140 LYS HB+ 4.40 (# 3414:20 Unique 2.21, 2.66 A)
&rst
ixpk= 3414, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2301,2302,
igr2=2298,2299,
&end
#
# 121 PHE HB- 121 PHE HA 5.50 (# 3415:20 Unique 2.40, 2.76 A)
&rst
ixpk= 3415, nxpk= 20, iat= -1,1958, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1960,1961,
&end
#
# 121 PHE HB+ 121 PHE HA 5.50 (# 3416:20 Unique 2.40, 2.76 A)
&rst
ixpk= 3416, nxpk= 20, iat= -1,1958, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1960,1961,
&end
#
# 27 ARG HA 121 PHE HA 5.50 (# 3417:20 Unique 3.03, 4.39 A)
&rst
ixpk= 3417, nxpk= 20, iat= 416,1958, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 122 ASP HA 121 PHE HA 5.50 (# 3418:20 Unique 4.49, 4.83 A)
&rst
ixpk= 3418, nxpk= 20, iat=1978,1958, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:3420 121 PHE HA 5.50 (# 3420:20 Single Ambig)
&rst
ixpk= 3420, nxpk= 20, iat= -1,1958, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1941, 438,
&end
#
# 25 ALA MB 121 PHE HB+ 5.50 (# 3422:20 Unique 2.74, 5.08 A)
&rst
ixpk= 3422, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 384, 385, 386,
igr2=1960,1961,
&end
#
# 122 ASP HB- 122 ASP HA 3.50 (# 3423:20 Unique 2.35, 2.75 A)
&rst
ixpk= 3423, nxpk= 20, iat= -1,1978, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1980,1981,
&end
#
# 122 ASP HB+ 122 ASP HA 3.50 (# 3424:20 Unique 2.35, 2.75 A)
&rst
ixpk= 3424, nxpk= 20, iat= -1,1978, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1980,1981,
&end
#
# 122 ASP HN 122 ASP HA 3.50 (# 3425:20 Unique 2.27, 2.58 A)
&rst
ixpk= 3425, nxpk= 20, iat=1976,1978, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:3426 0 AMB 20-1:3426 4.40 (# 3426:20 Double Ambig)
&rst
ixpk= 3426, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 416, 512,
igr2=1980,1981,1980,1981,
&end
#
# 122 ASP HA 122 ASP HB+ 3.50 (# 3427:20 Unique 2.35, 2.75 A)
&rst
ixpk= 3427, nxpk= 20, iat=1978, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1980,1981,
&end
#
# 122 ASP HA 122 ASP HB- 3.50 (# 3428:20 Unique 2.35, 2.75 A)
&rst
ixpk= 3428, nxpk= 20, iat=1978, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1980,1981,
&end
#
# 28 PHE HD 122 ASP HB- 4.40 (# 3430:20 Unique 8.48,11.12 A)
&rst
ixpk= 3430, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 446, 454,
igr2=1980,1981,
&end
#
# 122 ASP HN 122 ASP HB- 5.50 (# 3432:20 Unique 2.24, 3.07 A)
&rst
ixpk= 3432, nxpk= 20, iat=1976, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1980,1981,
&end
#
# 123 GLY HN 123 GLY HA- 4.40 (# 3434:20 Unique 2.30, 2.72 A)
&rst
ixpk= 3434, nxpk= 20, iat=1988, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1990,1991,
&end
#
# 123 GLY HN 123 GLY HA+ 4.40 (# 3435:20 Unique 2.30, 2.72 A)
&rst
ixpk= 3435, nxpk= 20, iat=1988, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1990,1991,
&end
#
# 124 TRP HN 123 GLY HA+ 2.60 (# 3436:20 Unique 2.14, 2.59 A)
&rst
ixpk= 3436, nxpk= 20, iat=1995, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1990,1991,
&end
#
# 124 TRP HN 123 GLY HA- 3.50 (# 3437:20 Unique 2.14, 2.59 A)
&rst
ixpk= 3437, nxpk= 20, iat=1995, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1990,1991,
&end
#
# 0 AMB 20-2:3440 123 GLY HA- 5.50 (# 3440:20 Single Ambig)
&rst
ixpk= 3440, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1=1854,1855,1856,2023,2024,1931,1932,
igr2=1990,1991,
&end
#
# 25 ALA MB 124 TRP HA 4.40 (# 3441:20 Unique 2.02, 4.09 A)
&rst
ixpk= 3441, nxpk= 20, iat= -1,1997, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr1= 384, 385, 386,
&end
#
# 0 AMB 20-2:3442 124 TRP HA 5.50 (# 3442:20 Single Ambig)
&rst
ixpk= 3442, nxpk= 20, iat= -1,1997, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1854,1855,1856,2023,2024,
&end
#
# 124 TRP HB- 124 TRP HA 5.50 (# 3443:20 Unique 2.37, 2.54 A)
&rst
ixpk= 3443, nxpk= 20, iat= -1,1997, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1999,2000,
&end
#
# 25 ALA HA 124 TRP HA 5.50 (# 3444:20 Unique 2.57, 3.64 A)
&rst
ixpk= 3444, nxpk= 20, iat= 382,1997, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:3446 124 TRP HA 4.40 (# 3446:20 Single Ambig)
&rst
ixpk= 3446, nxpk= 20, iat= -1,1997, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr1= 525,1966,1970,
&end
#
# 124 TRP HN 124 TRP HA 5.50 (# 3447:20 Unique 2.92, 2.93 A)
&rst
ixpk= 3447, nxpk= 20, iat=1995,1997, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 125 ARG HN 124 TRP HA 4.40 (# 3448:20 Unique 2.15, 2.20 A)
&rst
ixpk= 3448, nxpk= 20, iat=2019,1997, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 126 TRP HD1 125 ARG HA 5.50 (# 3451:20 Unique 3.50, 3.91 A)
&rst
ixpk= 3451, nxpk= 20, iat=2051,2021, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 126 TRP HN 125 ARG HA 3.50 (# 3452:20 Unique 2.14, 2.21 A)
&rst
ixpk= 3452, nxpk= 20, iat=2043,2021, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 125 ARG HN 125 ARG HA 5.50 (# 3453:20 Unique 2.89, 2.93 A)
&rst
ixpk= 3453, nxpk= 20, iat=2019,2021, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 ARG HE 49 ALA HA 5.50 (# 3454:20 Unique 2.35, 3.54 A)
&rst
ixpk= 3454, nxpk= 20, iat= 799, 740, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 125 ARG HG- 125 ARG HB+ 3.50 (# 3455:20 Unique 2.26, 2.72 A)
&rst
ixpk= 3455, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2026,2027,
igr2=2023,2024,
&end
#
# 127 VAL MGY 125 ARG HB+ 5.50 (# 3456:20 Unique 3.37, 6.50 A)
&rst
ixpk= 3456, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2073,2074,2075,2077,2078,2079,
igr2=2023,2024,
&end
#
# 125 ARG HD- 125 ARG HB- 4.40 (# 3457:20 Unique 2.10, 2.80 A)
&rst
ixpk= 3457, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2029,2030,
igr2=2023,2024,
&end
#
# 125 ARG HD- 125 ARG HB+ 5.50 (# 3458:20 Unique 2.10, 2.80 A)
&rst
ixpk= 3458, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2029,2030,
igr2=2023,2024,
&end
#
# 125 ARG HD+ 125 ARG HB+ 5.50 (# 3459:20 Unique 2.10, 2.80 A)
&rst
ixpk= 3459, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2029,2030,
igr2=2023,2024,
&end
#
# 125 ARG HD+ 125 ARG HB- 4.40 (# 3460:20 Unique 2.10, 2.80 A)
&rst
ixpk= 3460, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2029,2030,
igr2=2023,2024,
&end
#
# 125 ARG HA 125 ARG HB+ 4.40 (# 3461:20 Unique 2.36, 2.75 A)
&rst
ixpk= 3461, nxpk= 20, iat=2021, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2023,2024,
&end
#
# 33 TRP HH2 125 ARG HB+ 4.40 (# 3462:20 Unique 3.01, 4.44 A)
&rst
ixpk= 3462, nxpk= 20, iat= 525, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2023,2024,
&end
#
# 126 TRP HN 125 ARG HB+ 5.50 (# 3463:20 Unique 3.14, 4.05 A)
&rst
ixpk= 3463, nxpk= 20, iat=2043, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2023,2024,
&end
#
# 0 AMB 20-2:3465 0 AMB 20-1:3465 2.60 (# 3465:20 Double Ambig)
&rst
ixpk= 3465, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1248,1249,1254,1255,2023,2024,
igr2=1251,1252,1251,1252,2026,2027,
&end
#
# 78 LYS HE+ 78 LYS HG- 4.40 (# 3466:20 Unique 2.06, 3.21 A)
&rst
ixpk= 3466, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1257,1258,
igr2=1251,1252,
&end
#
# 125 ARG HD- 125 ARG HG+ 4.40 (# 3467:20 Unique 2.23, 2.72 A)
&rst
ixpk= 3467, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2029,2030,
igr2=2026,2027,
&end
#
# 78 LYS HA 78 LYS HG- 4.40 (# 3468:20 Unique 2.44, 3.02 A)
&rst
ixpk= 3468, nxpk= 20, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1251,1252,
&end
#
# 79 LEU HN 78 LYS HG- 5.50 (# 3470:20 Unique 4.40, 4.76 A)
&rst
ixpk= 3470, nxpk= 20, iat=1266, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1251,1252,
&end
#
# 78 LYS HN 78 LYS HG- 4.40 (# 3471:20 Unique 2.08, 3.45 A)
&rst
ixpk= 3471, nxpk= 20, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1251,1252,
&end
#
# 33 TRP HH2 125 ARG HD+ 4.40 (# 3472:20 Unique 2.03, 3.48 A)
&rst
ixpk= 3472, nxpk= 20, iat= 525, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2029,2030,
&end
#
# 33 TRP HH2 125 ARG HD- 3.50 (# 3473:20 Unique 2.03, 3.48 A)
&rst
ixpk= 3473, nxpk= 20, iat= 525, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2029,2030,
&end
#
# 125 ARG HE 125 ARG HD+ 5.50 (# 3474:20 Unique 2.27, 2.64 A)
&rst
ixpk= 3474, nxpk= 20, iat=2032, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2029,2030,
&end
#
# 125 ARG HE 125 ARG HD- 4.40 (# 3475:20 Unique 2.27, 2.64 A)
&rst
ixpk= 3475, nxpk= 20, iat=2032, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2029,2030,
&end
#
# 125 ARG HB- 125 ARG HD+ 2.60 (# 3476:20 Unique 2.10, 2.80 A)
&rst
ixpk= 3476, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2023,2024,
igr2=2029,2030,
&end
#
# 125 ARG HB+ 125 ARG HD- 2.60 (# 3477:20 Unique 2.10, 2.80 A)
&rst
ixpk= 3477, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2023,2024,
igr2=2029,2030,
&end
#
# 125 ARG HB- 125 ARG HD- 2.60 (# 3478:20 Unique 2.10, 2.80 A)
&rst
ixpk= 3478, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2023,2024,
igr2=2029,2030,
&end
#
# 125 ARG HB+ 125 ARG HD+ 2.60 (# 3479:20 Unique 2.10, 2.80 A)
&rst
ixpk= 3479, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2023,2024,
igr2=2029,2030,
&end
#
# 125 ARG HG- 125 ARG HD+ 3.50 (# 3480:20 Unique 2.23, 2.72 A)
&rst
ixpk= 3480, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2026,2027,
igr2=2029,2030,
&end
#
# 125 ARG HG- 125 ARG HD- 3.50 (# 3481:20 Unique 2.23, 2.72 A)
&rst
ixpk= 3481, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2026,2027,
igr2=2029,2030,
&end
#
# 127 VAL MGY 125 ARG HD+ 4.40 (# 3482:20 Unique 2.65, 6.10 A)
&rst
ixpk= 3482, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2073,2074,2075,2077,2078,2079,
igr2=2029,2030,
&end
#
# 127 VAL MGY 125 ARG HD- 4.40 (# 3483:20 Unique 2.65, 6.10 A)
&rst
ixpk= 3483, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2073,2074,2075,2077,2078,2079,
igr2=2029,2030,
&end
#
# 0 AMB 20-2:3484 0 AMB 20-1:3484 5.50 (# 3484:20 Double Ambig)
&rst
ixpk= 3484, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1419,2130,1364,1421,
igr2=1306,1307,2477,2478,
&end
#
# 0 AMB 20-2:3485 0 AMB 20-1:3485 5.50 (# 3485:20 Double Ambig)
&rst
ixpk= 3485, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=2423,2424,1227,1228,1999,2000,
igr2=2477,2478,1251,1252,2026,2027,
&end
#
# 127 VAL MGY 125 ARG HG- 3.50 (# 3486:20 Unique 2.28, 5.66 A)
&rst
ixpk= 3486, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2073,2074,2075,2077,2078,2079,
igr2=2026,2027,
&end
#
# 125 ARG HB+ 125 ARG HG- 3.50 (# 3487:20 Unique 2.26, 2.72 A)
&rst
ixpk= 3487, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2023,2024,
igr2=2026,2027,
&end
#
# 125 ARG HD- 125 ARG HG- 4.40 (# 3488:20 Unique 2.23, 2.72 A)
&rst
ixpk= 3488, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2029,2030,
igr2=2026,2027,
&end
#
# 33 TRP HH2 125 ARG HG+ 5.50 (# 3489:20 Unique 2.77, 5.00 A)
&rst
ixpk= 3489, nxpk= 20, iat= 525, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2026,2027,
&end
#
# 33 TRP HH2 125 ARG HG- 5.50 (# 3490:20 Unique 2.77, 5.00 A)
&rst
ixpk= 3490, nxpk= 20, iat= 525, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2026,2027,
&end
#
# 164 LYS HG+ 164 LYS HB+ 3.50 (# 3491:20 Unique 2.21, 2.63 A)
&rst
ixpk= 3491, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2708,2709,
igr2=2705,2706,
&end
#
# 0 AMB 20-2:3492 126 TRP HA 5.50 (# 3492:20 Single Ambig)
&rst
ixpk= 3492, nxpk= 20, iat= -1,2045, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2023,2024, 218,
&end
#
# 126 TRP HB+ 126 TRP HA 3.50 (# 3493:20 Unique 2.38, 2.75 A)
&rst
ixpk= 3493, nxpk= 20, iat= -1,2045, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2047,2048,
&end
#
# 23 MET HA 126 TRP HA 4.40 (# 3494:20 Unique 2.41, 2.89 A)
&rst
ixpk= 3494, nxpk= 20, iat= 341,2045, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 127 VAL MGX 126 TRP HA 5.50 (# 3495:20 Unique 3.31, 4.79 A)
&rst
ixpk= 3495, nxpk= 20, iat= -1,2045, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2073,2074,2075,2077,2078,2079,
&end
#
# 126 TRP HN 126 TRP HA 5.50 (# 3497:20 Unique 2.90, 2.94 A)
&rst
ixpk= 3497, nxpk= 20, iat=2043,2045, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 127 VAL HN 126 TRP HA 3.50 (# 3498:20 Unique 2.14, 2.23 A)
&rst
ixpk= 3498, nxpk= 20, iat=2067,2045, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 126 TRP HN 126 TRP HB+ 5.50 (# 3499:20 Unique 2.41, 3.12 A)
&rst
ixpk= 3499, nxpk= 20, iat=2043, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2047,2048,
&end
#
# 126 TRP HD1 126 TRP HB+ 5.50 (# 3500:20 Unique 3.25, 3.60 A)
&rst
ixpk= 3500, nxpk= 20, iat=2051, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2047,2048,
&end
#
# 0 AMB 20-2:3501 0 AMB 20-1:3501 5.50 (# 3501:20 Double Ambig)
&rst
ixpk= 3501, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2008, 271,
igr2=2047,2048,2047,2048,
&end
#
# 126 TRP HA 126 TRP HB+ 5.50 (# 3502:20 Unique 2.38, 2.75 A)
&rst
ixpk= 3502, nxpk= 20, iat=2045, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2047,2048,
&end
#
# 128 SER HN 127 VAL HB 3.50 (# 3517:20 Unique 1.87, 2.13 A)
&rst
ixpk= 3517, nxpk= 20, iat=2083,2071, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 131 TYR HD 127 VAL HB 4.40 (# 3518:20 Unique 1.96, 3.77 A)
&rst
ixpk= 3518, nxpk= 20, iat= -1,2071, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2147,2156,
&end
#
# 128 SER HB+ 127 VAL HB 5.50 (# 3519:20 Unique 3.14, 4.46 A)
&rst
ixpk= 3519, nxpk= 20, iat= -1,2071, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2087,2088,
&end
#
# 127 VAL MGY 127 VAL HB 3.50 (# 3520:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3520, nxpk= 20, iat= -1,2071, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2073,2074,2075,2077,2078,2079,
&end
#
# 127 VAL MGX 127 VAL HB 3.50 (# 3521:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3521, nxpk= 20, iat= -1,2071, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2073,2074,2075,2077,2078,2079,
&end
#
# 22 VAL MGX 127 VAL MGX 2.60 (# 3523:20 Unique 2.06, 6.68 A)
&rst
ixpk= 3523, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 329, 330, 331, 333, 334, 335,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 0 AMB 20-2:3524 127 VAL MGX 2.60 (# 3524:20 Single Ambig)
&rst
ixpk= 3524, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=2071,2023,2024,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 126 TRP HA 127 VAL MGX 4.40 (# 3526:20 Unique 3.31, 4.79 A)
&rst
ixpk= 3526, nxpk= 20, iat=2045, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 127 VAL HN 127 VAL MGX 3.50 (# 3528:20 Unique 1.92, 3.51 A)
&rst
ixpk= 3528, nxpk= 20, iat=2067, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 22 VAL HN 127 VAL MGX 5.50 (# 3529:20 Unique 3.17, 5.73 A)
&rst
ixpk= 3529, nxpk= 20, iat= 323, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 128 SER HN 127 VAL MGX 4.40 (# 3530:20 Unique 1.94, 4.09 A)
&rst
ixpk= 3530, nxpk= 20, iat=2083, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 131 TYR HN 127 VAL MGX 5.50 (# 3531:20 Unique 4.13, 6.39 A)
&rst
ixpk= 3531, nxpk= 20, iat=2139, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 127 VAL HN 127 VAL MGY 4.40 (# 3532:20 Unique 1.92, 3.51 A)
&rst
ixpk= 3532, nxpk= 20, iat=2067, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 24 TRP HN 127 VAL MGY 5.50 (# 3533:20 Unique 4.31, 6.44 A)
&rst
ixpk= 3533, nxpk= 20, iat= 356, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 128 SER HN 127 VAL MGY 3.50 (# 3534:20 Unique 1.94, 4.09 A)
&rst
ixpk= 3534, nxpk= 20, iat=2083, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 126 TRP HN 127 VAL MGY 5.50 (# 3535:20 Unique 4.21, 6.00 A)
&rst
ixpk= 3535, nxpk= 20, iat=2043, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 0 AMB 20-2:3538 127 VAL MGY 2.60 (# 3538:20 Single Ambig)
&rst
ixpk= 3538, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1= 364,2147,2156,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 0 AMB 20-2:3539 127 VAL MGY 3.50 (# 3539:20 Single Ambig)
&rst
ixpk= 3539, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 369,2149,2154,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 126 TRP HA 127 VAL MGY 4.40 (# 3540:20 Unique 3.31, 4.79 A)
&rst
ixpk= 3540, nxpk= 20, iat=2045, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 128 SER HB+ 127 VAL MGY 4.40 (# 3542:20 Unique 3.76, 6.46 A)
&rst
ixpk= 3542, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2087,2088,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 0 AMB 20-2:3543 127 VAL MGY 5.50 (# 3543:20 Single Ambig)
&rst
ixpk= 3543, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 514, 515,2176,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 0 AMB 20-2:3544 127 VAL MGY 5.50 (# 3544:20 Single Ambig)
&rst
ixpk= 3544, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=2098,2099,2119,2120, 237, 238,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 0 AMB 20-2:3545 127 VAL MGY 3.50 (# 3545:20 Single Ambig)
&rst
ixpk= 3545, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2143,2144,2029,2030,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 0 AMB 20-2:3546 127 VAL MGY 2.60 (# 3546:20 Single Ambig)
&rst
ixpk= 3546, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=2071,2023,2024,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 125 ARG HG- 127 VAL MGY 3.50 (# 3547:20 Unique 2.28, 5.66 A)
&rst
ixpk= 3547, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2026,2027,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 22 VAL MGX 127 VAL MGY 3.50 (# 3549:20 Unique 2.06, 6.68 A)
&rst
ixpk= 3549, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 329, 330, 331, 333, 334, 335,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 128 SER HB+ 128 SER HA 2.60 (# 3550:20 Unique 2.24, 2.77 A)
&rst
ixpk= 3550, nxpk= 20, iat= -1,2085, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2087,2088,
&end
#
# 128 SER HN 128 SER HA 3.50 (# 3552:20 Unique 2.74, 2.84 A)
&rst
ixpk= 3552, nxpk= 20, iat=2083,2085, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 129 TYR HN 128 SER HA 2.60 (# 3553:20 Unique 2.26, 2.40 A)
&rst
ixpk= 3553, nxpk= 20, iat=2094,2085, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 128 SER HN 128 SER HB+ 2.60 (# 3554:20 Unique 2.09, 2.90 A)
&rst
ixpk= 3554, nxpk= 20, iat=2083, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2087,2088,
&end
#
# 129 TYR HN 128 SER HB+ 3.50 (# 3555:20 Unique 2.24, 3.35 A)
&rst
ixpk= 3555, nxpk= 20, iat=2094, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2087,2088,
&end
#
# 130 TRP HN 128 SER HB+ 4.40 (# 3556:20 Unique 2.11, 3.13 A)
&rst
ixpk= 3556, nxpk= 20, iat=2115, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2087,2088,
&end
#
# 131 TYR HN 128 SER HB+ 5.50 (# 3557:20 Unique 2.06, 3.17 A)
&rst
ixpk= 3557, nxpk= 20, iat=2139, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2087,2088,
&end
#
# 128 SER HA 128 SER HB+ 2.60 (# 3558:20 Unique 2.24, 2.77 A)
&rst
ixpk= 3558, nxpk= 20, iat=2085, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2087,2088,
&end
#
# 127 VAL HB 128 SER HB+ 5.50 (# 3560:20 Unique 3.14, 4.46 A)
&rst
ixpk= 3560, nxpk= 20, iat=2071, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2087,2088,
&end
#
# 131 TYR HB- 128 SER HB+ 4.40 (# 3561:20 Unique 1.99, 3.54 A)
&rst
ixpk= 3561, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2143,2144,
igr2=2087,2088,
&end
#
# 155 VAL MGX 129 TYR HB+ 5.50 (# 3564:20 Unique 2.88, 5.13 A)
&rst
ixpk= 3564, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2570,2571,2572,2574,2575,2576,
igr2=2098,2099,
&end
#
# 129 TYR HA 129 TYR HB+ 3.50 (# 3566:20 Unique 2.33, 2.51 A)
&rst
ixpk= 3566, nxpk= 20, iat=2096, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2098,2099,
&end
#
# 55 PHE HA 55 PHE HB- 3.50 (# 3567:20 Unique 2.39, 2.76 A)
&rst
ixpk= 3567, nxpk= 20, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 848, 849,
&end
#
# 129 TYR HN 129 TYR HB+ 5.50 (# 3568:20 Unique 2.13, 3.08 A)
&rst
ixpk= 3568, nxpk= 20, iat=2094, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2098,2099,
&end
#
# 129 TYR HN 129 TYR HB- 4.40 (# 3569:20 Unique 2.13, 3.08 A)
&rst
ixpk= 3569, nxpk= 20, iat=2094, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2098,2099,
&end
#
# 129 TYR HD 129 TYR HB- 3.50 (# 3570:20 Unique 2.30, 3.05 A)
&rst
ixpk= 3570, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2102,2111,
igr2=2098,2099,
&end
#
# 22 VAL MGY 129 TYR HB- 5.50 (# 3572:20 Unique 2.84, 5.19 A)
&rst
ixpk= 3572, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 329, 330, 331, 333, 334, 335,
igr2=2098,2099,
&end
#
# 133 VAL HB 130 TRP HA 5.50 (# 3573:20 Unique 2.37, 2.78 A)
&rst
ixpk= 3573, nxpk= 20, iat=2178,2117, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 7 TYR HD 7 TYR HA 5.50 (# 3574:20 Unique 3.10, 3.41 A)
&rst
ixpk= 3574, nxpk= 20, iat= -1, 85, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 91, 100,
&end
#
# 130 TRP HE3 130 TRP HA 3.50 (# 3576:20 Unique 3.48, 4.57 A)
&rst
ixpk= 3576, nxpk= 20, iat=2134,2117, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 130 TRP HE1 130 TRP HB+ 5.50 (# 3577:20 Unique 4.80, 5.09 A)
&rst
ixpk= 3577, nxpk= 20, iat=2125, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2119,2120,
&end
#
# 130 TRP HE1 130 TRP HB- 5.50 (# 3578:20 Unique 4.80, 5.09 A)
&rst
ixpk= 3578, nxpk= 20, iat=2125, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2119,2120,
&end
#
# 130 TRP HN 130 TRP HB- 5.50 (# 3579:20 Unique 2.21, 3.02 A)
&rst
ixpk= 3579, nxpk= 20, iat=2115, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2119,2120,
&end
#
# 130 TRP HD1 130 TRP HB- 4.40 (# 3580:20 Unique 2.69, 3.42 A)
&rst
ixpk= 3580, nxpk= 20, iat=2123, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2119,2120,
&end
#
# 130 TRP HD1 130 TRP HB+ 5.50 (# 3581:20 Unique 2.69, 3.42 A)
&rst
ixpk= 3581, nxpk= 20, iat=2123, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2119,2120,
&end
#
# 130 TRP HN 130 TRP HB+ 5.50 (# 3582:20 Unique 2.21, 3.02 A)
&rst
ixpk= 3582, nxpk= 20, iat=2115, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2119,2120,
&end
#
# 130 TRP HA 130 TRP HB- 4.40 (# 3584:20 Unique 2.23, 2.75 A)
&rst
ixpk= 3584, nxpk= 20, iat=2117, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2119,2120,
&end
#
# 130 TRP HA 130 TRP HB+ 3.50 (# 3585:20 Unique 2.23, 2.75 A)
&rst
ixpk= 3585, nxpk= 20, iat=2117, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2119,2120,
&end
#
# 0 AMB 20-2:3586 0 AMB 20-1:3586 5.50 (# 3586:20 Double Ambig)
&rst
ixpk= 3586, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
igr1=2197,2198,2396,2397,2531,2532,2533,
igr2=2119,2120,2119,2120,2119,2120,
&end
#
# 0 AMB 20-2:3588 0 AMB 20-1:3588 3.50 (# 3588:20 Double Ambig)
&rst
ixpk= 3588, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1=1055,1056,2071,2197,2198,
igr2=1047,2141,
&end
#
# 131 TYR HB- 131 TYR HA 3.50 (# 3589:20 Unique 2.30, 2.76 A)
&rst
ixpk= 3589, nxpk= 20, iat= -1,2141, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2143,2144,
&end
#
# 131 TYR HD 131 TYR HA 5.50 (# 3590:20 Unique 2.06, 3.43 A)
&rst
ixpk= 3590, nxpk= 20, iat= -1,2141, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2147,2156,
&end
#
# 131 TYR HN 131 TYR HA 4.40 (# 3591:20 Unique 2.73, 2.83 A)
&rst
ixpk= 3591, nxpk= 20, iat=2139,2141, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 132 PRO HD+ 131 TYR HA 5.50 (# 3592:20 Unique 2.54, 3.85 A)
&rst
ixpk= 3592, nxpk= 20, iat= -1,2141, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2161,2162,
&end
#
# 127 VAL MGX 0 AMB 20-1:3594 5.50 (# 3594:20 Single Ambig)
&rst
ixpk= 3594, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=2073,2074,2075,2077,2078,2079,
igr2=2143,2144,2143,2144,
&end
#
# 127 VAL HB 131 TYR HB- 5.50 (# 3595:20 Unique 2.14, 2.84 A)
&rst
ixpk= 3595, nxpk= 20, iat=2071, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2143,2144,
&end
#
# 128 SER HB+ 131 TYR HB- 5.50 (# 3596:20 Unique 1.99, 3.54 A)
&rst
ixpk= 3596, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2087,2088,
igr2=2143,2144,
&end
#
# 131 TYR HA 131 TYR HB- 5.50 (# 3597:20 Unique 2.30, 2.76 A)
&rst
ixpk= 3597, nxpk= 20, iat=2141, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2143,2144,
&end
#
# 131 TYR HA 131 TYR HB+ 5.50 (# 3598:20 Unique 2.30, 2.76 A)
&rst
ixpk= 3598, nxpk= 20, iat=2141, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2143,2144,
&end
#
# 131 TYR HD 131 TYR HB- 5.50 (# 3599:20 Unique 2.30, 3.06 A)
&rst
ixpk= 3599, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2147,2156,
igr2=2143,2144,
&end
#
# 131 TYR HD 131 TYR HB+ 5.50 (# 3600:20 Unique 2.30, 3.06 A)
&rst
ixpk= 3600, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2147,2156,
igr2=2143,2144,
&end
#
# 131 TYR HN 131 TYR HB- 4.40 (# 3602:20 Unique 2.08, 2.64 A)
&rst
ixpk= 3602, nxpk= 20, iat=2139, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2143,2144,
&end
#
# 131 TYR HN 131 TYR HB+ 5.50 (# 3603:20 Unique 2.08, 2.64 A)
&rst
ixpk= 3603, nxpk= 20, iat=2139, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2143,2144,
&end
#
# 130 TRP HB+ 131 TYR HB- 5.50 (# 3604:20 Unique 5.26, 6.22 A)
&rst
ixpk= 3604, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2119,2120,
igr2=2143,2144,
&end
#
# 136 VAL MGX 133 VAL HA 3.50 (# 3606:20 Unique 1.93, 3.75 A)
&rst
ixpk= 3606, nxpk= 20, iat= -1,2176, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2237,2238,2239,2241,2242,2243,
&end
#
# 133 VAL MGY 133 VAL HA 2.60 (# 3607:20 Unique 1.99, 3.13 A)
&rst
ixpk= 3607, nxpk= 20, iat= -1,2176, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2180,2181,2182,2184,2185,2186,
&end
#
# 0 AMB 20-2:3608 133 VAL HA 5.50 (# 3608:20 Single Ambig)
&rst
ixpk= 3608, nxpk= 20, iat= -1,2176, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2320,2321,2457,2458,2194,2195,
&end
#
# 133 VAL HB 133 VAL HA 3.50 (# 3609:20 Unique 2.61, 2.99 A)
&rst
ixpk= 3609, nxpk= 20, iat=2178,2176, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 144 TYR HB+ 133 VAL HA 5.50 (# 3610:20 Unique 2.57, 4.04 A)
&rst
ixpk= 3610, nxpk= 20, iat= -1,2176, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2372,2373,
&end
#
# 145 ARG HA 133 VAL HA 5.50 (# 3611:20 Unique 4.45, 4.86 A)
&rst
ixpk= 3611, nxpk= 20, iat=2391,2176, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:3612 133 VAL HA 5.50 (# 3612:20 Single Ambig)
&rst
ixpk= 3612, nxpk= 20, iat= -1,2176, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2192,2216,
&end
#
# 144 TYR HD 133 VAL HA 5.50 (# 3613:20 Unique 2.71, 5.37 A)
&rst
ixpk= 3613, nxpk= 20, iat= -1,2176, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2376,2385,
&end
#
# 0 AMB 20-2:3614 133 VAL HA 3.50 (# 3614:20 Single Ambig)
&rst
ixpk= 3614, nxpk= 20, iat= -1,2176, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=2174, 561, 565,
&end
#
# 134 ARG HN 133 VAL HA 4.40 (# 3615:20 Unique 3.38, 3.44 A)
&rst
ixpk= 3615, nxpk= 20, iat=2190,2176, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 136 VAL HN 133 VAL HA 5.50 (# 3616:20 Unique 3.30, 3.60 A)
&rst
ixpk= 3616, nxpk= 20, iat=2231,2176, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 134 ARG HN 133 VAL HB 4.40 (# 3619:20 Unique 2.82, 3.12 A)
&rst
ixpk= 3619, nxpk= 20, iat=2190,2178, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 133 VAL HN 133 VAL HB 3.50 (# 3620:20 Unique 2.30, 2.68 A)
&rst
ixpk= 3620, nxpk= 20, iat=2174,2178, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 133 VAL HA 133 VAL HB 3.50 (# 3621:20 Unique 2.61, 2.99 A)
&rst
ixpk= 3621, nxpk= 20, iat=2176,2178, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 133 VAL MGY 133 VAL HB 2.60 (# 3622:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3622, nxpk= 20, iat= -1,2178, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2180,2181,2182,2184,2185,2186,
&end
#
# 0 AMB 20-2:3623 0 AMB 20-1:3623 3.50 (# 3623:20 Double Ambig)
&rst
ixpk= 3623, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.84, r4= 8.59,
igr1=2396,2397,1494,2612,2613,2323,2324,
igr2=2180,2181,2182,2184,2185,2186,1496,1497,1498,1500,
1501,1502,2554,2555,2556,2558,2559,2560,
&end
#
# 0 AMB 20-2:3624 0 AMB 20-1:3624 2.60 (# 3624:20 Double Ambig)
&rst
ixpk= 3624, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2552,2393,2394,
igr2=2554,2555,2556,2558,2559,2560,2180,2181,2182,2184,
2185,2186,
&end
#
# 0 AMB 20-2:3625 0 AMB 20-1:3625 2.60 (# 3625:20 Double Ambig)
&rst
ixpk= 3625, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=2176,1366,
igr2=2180,2181,2182,2184,2185,2186,1496,1497,1498,1500,
1501,1502,
&end
#
# 145 ARG HA 133 VAL MGX 2.60 (# 3626:20 Unique 1.99, 3.72 A)
&rst
ixpk= 3626, nxpk= 20, iat=2391, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2180,2181,2182,2184,2185,2186,
&end
#
# 0 AMB 20-2:3627 0 AMB 20-1:3627 4.40 (# 3627:20 Double Ambig)
&rst
ixpk= 3627, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.97, r4= 9.72,
igr1=2192,2610, 78, 79,
igr2=2180,2181,2182,2184,2185,2186,2554,2555,2556,2558,
2559,2560,1496,1497,1498,1500,1501,1502,
&end
#
# 153 SER HB+ 154 VAL MGX 3.50 (# 3628:20 Unique 3.25, 5.99 A)
&rst
ixpk= 3628, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2541,2542,
igr2=2554,2555,2556,2558,2559,2560,
&end
#
# 133 VAL HN 133 VAL MGX 3.50 (# 3629:20 Unique 1.93, 3.67 A)
&rst
ixpk= 3629, nxpk= 20, iat=2174, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2180,2181,2182,2184,2185,2186,
&end
#
# 0 AMB 20-2:3630 0 AMB 20-1:3630 3.50 (# 3630:20 Double Ambig)
&rst
ixpk= 3630, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2190,1421,
igr2=2180,2181,2182,2184,2185,2186,1496,1497,1498,1500,
1501,1502,
&end
#
# 145 ARG HN 133 VAL MGX 4.40 (# 3631:20 Unique 3.16, 5.57 A)
&rst
ixpk= 3631, nxpk= 20, iat=2389, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=2180,2181,2182,2184,2185,2186,
&end
#
# 134 ARG HN 134 ARG HA 3.50 (# 3633:20 Unique 2.87, 2.91 A)
&rst
ixpk= 3633, nxpk= 20, iat=2190,2192, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 134 ARG HD+ 134 ARG HA 3.50 (# 3634:20 Unique 2.10, 3.13 A)
&rst
ixpk= 3634, nxpk= 20, iat= -1,2192, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2200,2201,
&end
#
# 0 AMB 20-2:3635 134 ARG HA 3.50 (# 3635:20 Single Ambig)
&rst
ixpk= 3635, nxpk= 20, iat= -1,2192, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2197,2198,2323,2324,
&end
#
# 0 AMB 20-2:3636 134 ARG HA 2.60 (# 3636:20 Single Ambig)
&rst
ixpk= 3636, nxpk= 20, iat= -1,2192, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2194,2195,2320,2321,
&end
#
# 0 AMB 20-2:3637 134 ARG HA 2.60 (# 3637:20 Single Ambig)
&rst
ixpk= 3637, nxpk= 20, iat= -1,2192, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2194,2195,2320,2321,
&end
#
# 0 AMB 20-2:3638 134 ARG HA 4.40 (# 3638:20 Single Ambig)
&rst
ixpk= 3638, nxpk= 20, iat= -1,2192, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2180,2181,2182,2184,2185,2186,2180,2181,2182,2184,
2185,2186,
&end
#
# 158 LEU MDX 158 LEU HA 2.60 (# 3639:20 Unique 2.10, 3.92 A)
&rst
ixpk= 3639, nxpk= 20, iat= -1,2610, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2617,2618,2619,2621,2622,2623,
&end
#
# 0 AMB 20-2:3642 0 AMB 20-1:3642 2.60 (# 3642:20 Double Ambig)
&rst
ixpk= 3642, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2323,2324,2197,2198,2221,2222,
igr2=2320,2321,2194,2195,2194,2195,
&end
#
# 0 AMB 20-2:3643 0 AMB 20-1:3643 2.60 (# 3643:20 Double Ambig)
&rst
ixpk= 3643, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=2323,2324,2197,2198,2221,2222,
igr2=2320,2321,2194,2195,
&end
#
# 0 AMB 20-2:3644 0 AMB 20-1:3644 2.60 (# 3644:20 Double Ambig)
&rst
ixpk= 3644, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2326,2327,2200,2201,
igr2=2320,2321,2194,2195,
&end
#
# 0 AMB 20-2:3645 0 AMB 20-1:3645 2.60 (# 3645:20 Double Ambig)
&rst
ixpk= 3645, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2326,2327,2200,2201,
igr2=2320,2321,2194,2195,
&end
#
# 141 ARG HA 141 ARG HB+ 5.50 (# 3646:20 Unique 2.37, 2.64 A)
&rst
ixpk= 3646, nxpk= 20, iat=2318, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2320,2321,
&end
#
# 141 ARG HA 141 ARG HB- 4.40 (# 3647:20 Unique 2.37, 2.64 A)
&rst
ixpk= 3647, nxpk= 20, iat=2318, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2320,2321,
&end
#
# 0 AMB 20-2:3648 0 AMB 20-1:3648 3.50 (# 3648:20 Double Ambig)
&rst
ixpk= 3648, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2192,2216,
igr2=2194,2195,2320,2321,
&end
#
# 134 ARG HN 134 ARG HB- 3.50 (# 3649:20 Unique 2.11, 2.78 A)
&rst
ixpk= 3649, nxpk= 20, iat=2190, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2194,2195,
&end
#
# 0 AMB 20-2:3650 0 AMB 20-1:3650 4.40 (# 3650:20 Double Ambig)
&rst
ixpk= 3650, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=2453,2340,
igr2=2457,2458,2320,2321,
&end
#
# 0 AMB 20-2:3651 0 AMB 20-1:3651 4.40 (# 3651:20 Double Ambig)
&rst
ixpk= 3651, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=2329, 706,
igr2=2320,2321, 710, 711,
&end
#
# 103 GLN HE2+ 18 ARG HG+ 3.50 (# 3652:20 Unique 1.95, 3.96 A)
&rst
ixpk= 3652, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1715,1716,
igr2= 265, 266,
&end
#
# 145 ARG HA 145 ARG HG- 3.50 (# 3653:20 Unique 2.11, 2.72 A)
&rst
ixpk= 3653, nxpk= 20, iat=2391, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2396,2397,
&end
#
# 0 AMB 20-2:3654 0 AMB 20-1:3654 2.60 (# 3654:20 Double Ambig)
&rst
ixpk= 3654, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 268, 269,2326,2327,2326,2327,
igr2= 265, 266,2396,2397,2197,2198,
&end
#
# 0 AMB 20-2:3655 0 AMB 20-1:3655 2.60 (# 3655:20 Double Ambig)
&rst
ixpk= 3655, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2326,2327, 268, 269,
igr2=2323,2324, 265, 266,
&end
#
# 0 AMB 20-2:3656 0 AMB 20-1:3656 2.60 (# 3656:20 Double Ambig)
&rst
ixpk= 3656, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2194,2195, 469, 470,2320,2321,
igr2=2197,2198, 421, 422,2396,2397,
&end
#
# 0 AMB 20-2:3657 0 AMB 20-1:3657 2.60 (# 3657:20 Double Ambig)
&rst
ixpk= 3657, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2320,2321,2194,2195,
igr2=2323,2324,2197,2198,
&end
#
# 134 ARG HA 134 ARG HD+ 3.50 (# 3658:20 Unique 2.10, 3.13 A)
&rst
ixpk= 3658, nxpk= 20, iat=2192, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2200,2201,
&end
#
# 134 ARG HN 134 ARG HD+ 4.40 (# 3659:20 Unique 4.66, 5.14 A)
&rst
ixpk= 3659, nxpk= 20, iat=2190, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2200,2201,
&end
#
# 134 ARG HB+ 134 ARG HD+ 2.60 (# 3660:20 Unique 2.08, 3.16 A)
&rst
ixpk= 3660, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2194,2195,
igr2=2200,2201,
&end
#
# 0 AMB 20-2:3661 0 AMB 20-1:3661 2.60 (# 3661:20 Double Ambig)
&rst
ixpk= 3661, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2194,2195,1025,1026,
igr2=2200,2201,1031,1032,
&end
#
# 134 ARG HG- 134 ARG HD+ 2.60 (# 3662:20 Unique 2.26, 2.71 A)
&rst
ixpk= 3662, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2197,2198,
igr2=2200,2201,
&end
#
# 0 AMB 20-2:3663 0 AMB 20-1:3663 2.60 (# 3663:20 Double Ambig)
&rst
ixpk= 3663, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1025,1026,2197,2198,
igr2=1031,1032,2200,2201,
&end
#
# 135 GLN HB- 135 GLN HA 3.50 (# 3665:20 Unique 2.35, 2.71 A)
&rst
ixpk= 3665, nxpk= 20, iat= -1,2216, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2218,2219,
&end
#
# 135 GLN HG- 135 GLN HA 3.50 (# 3666:20 Unique 3.28, 3.57 A)
&rst
ixpk= 3666, nxpk= 20, iat= -1,2216, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2221,2222,
&end
#
# 0 AMB 20-2:3667 135 GLN HA 2.60 (# 3667:20 Single Ambig)
&rst
ixpk= 3667, nxpk= 20, iat= -1,2216, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2221,2222,2323,2324,
&end
#
# 0 AMB 20-2:3668 135 GLN HA 4.40 (# 3668:20 Single Ambig)
&rst
ixpk= 3668, nxpk= 20, iat= -1,2216, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2194,2195,2320,2321,
&end
#
# 135 GLN HB+ 135 GLN HA 2.60 (# 3669:20 Unique 2.35, 2.71 A)
&rst
ixpk= 3669, nxpk= 20, iat= -1,2216, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2218,2219,
&end
#
# 135 GLN HE2- 135 GLN HA 5.50 (# 3670:20 Unique 2.83, 3.75 A)
&rst
ixpk= 3670, nxpk= 20, iat= -1,2216, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2226,2227,
&end
#
# 135 GLN HE2+ 135 GLN HA 5.50 (# 3671:20 Unique 2.83, 3.75 A)
&rst
ixpk= 3671, nxpk= 20, iat= -1,2216, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2226,2227,
&end
#
# 135 GLN HN 135 GLN HA 3.50 (# 3672:20 Unique 2.87, 2.92 A)
&rst
ixpk= 3672, nxpk= 20, iat=2214,2216, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 136 VAL HN 135 GLN HA 3.50 (# 3673:20 Unique 2.97, 3.30 A)
&rst
ixpk= 3673, nxpk= 20, iat=2231,2216, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 135 GLN HA 135 GLN HB+ 3.50 (# 3675:20 Unique 2.35, 2.71 A)
&rst
ixpk= 3675, nxpk= 20, iat=2216, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2218,2219,
&end
#
# 47 GLU HA 47 GLU HB+ 3.50 (# 3676:20 Unique 2.45, 2.77 A)
&rst
ixpk= 3676, nxpk= 20, iat= 708, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 710, 711,
&end
#
# 135 GLN HG+ 135 GLN HB+ 3.50 (# 3677:20 Unique 2.32, 2.55 A)
&rst
ixpk= 3677, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2221,2222,
igr2=2218,2219,
&end
#
# 0 AMB 20-2:3678 0 AMB 20-1:3678 3.50 (# 3678:20 Double Ambig)
&rst
ixpk= 3678, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=2167,2168,2221,2222,
igr2=2218,2219,2218,2219,
&end
#
# 0 AMB 20-2:3679 135 GLN HB- 3.50 (# 3679:20 Single Ambig)
&rst
ixpk= 3679, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2167,2168,2221,2222,
igr2=2218,2219,
&end
#
# 135 GLN HG+ 135 GLN HB- 3.50 (# 3680:20 Unique 2.32, 2.55 A)
&rst
ixpk= 3680, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2221,2222,
igr2=2218,2219,
&end
#
# 135 GLN HA 135 GLN HB- 4.40 (# 3681:20 Unique 2.35, 2.71 A)
&rst
ixpk= 3681, nxpk= 20, iat=2216, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2218,2219,
&end
#
# 135 GLN HN 135 GLN HB- 3.50 (# 3682:20 Unique 2.45, 3.17 A)
&rst
ixpk= 3682, nxpk= 20, iat=2214, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2218,2219,
&end
#
# 135 GLN HE2+ 135 GLN HG+ 4.40 (# 3685:20 Unique 2.13, 3.19 A)
&rst
ixpk= 3685, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2226,2227,
igr2=2221,2222,
&end
#
# 135 GLN HE2+ 135 GLN HG- 5.50 (# 3686:20 Unique 2.13, 3.19 A)
&rst
ixpk= 3686, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2226,2227,
igr2=2221,2222,
&end
#
# 135 GLN HE2- 135 GLN HG- 5.50 (# 3687:20 Unique 2.13, 3.19 A)
&rst
ixpk= 3687, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2226,2227,
igr2=2221,2222,
&end
#
# 136 VAL MGX 136 VAL HA 2.60 (# 3688:20 Unique 2.04, 3.43 A)
&rst
ixpk= 3688, nxpk= 20, iat= -1,2233, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2237,2238,2239,2241,2242,2243,
&end
#
# 136 VAL MGY 136 VAL HA 2.60 (# 3689:20 Unique 2.04, 3.43 A)
&rst
ixpk= 3689, nxpk= 20, iat= -1,2233, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2237,2238,2239,2241,2242,2243,
&end
#
# 137 VAL MGY 136 VAL HA 4.40 (# 3690:20 Unique 3.75, 5.71 A)
&rst
ixpk= 3690, nxpk= 20, iat= -1,2233, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=2253,2254,2255,2257,2258,2259,
&end
#
# 150 GLU HG- 71 THR HA 3.50 (# 3692:20 Unique 2.63, 4.20 A)
&rst
ixpk= 3692, nxpk= 20, iat= -1,1106, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2499,2500,
&end
#
# 136 VAL HN 136 VAL HA 3.50 (# 3693:20 Unique 2.74, 2.79 A)
&rst
ixpk= 3693, nxpk= 20, iat=2231,2233, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 137 VAL HN 136 VAL HA 2.60 (# 3694:20 Unique 2.23, 2.42 A)
&rst
ixpk= 3694, nxpk= 20, iat=2247,2233, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 161 ASN HD2- 157 SER HA 4.60 (# 3695:20 Unique 2.07, 2.50 A)
&rst
ixpk= 3695, nxpk= 20, iat= -1,2599, r1= 0.00, r2= 1.80, r3= 5.16, r4= 5.91,
igr1=2668,2669,
&end
#
# 0 AMB 20-2:3697 0 AMB 20-1:3697 3.50 (# 3697:20 Double Ambig)
&rst
ixpk= 3697, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2231,2051,
igr2=2235, 343, 344,
&end
#
# 0 AMB 20-2:3699 0 AMB 20-1:3699 4.40 (# 3699:20 Double Ambig)
&rst
ixpk= 3699, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 138, 587,
igr2= 135, 136, 589, 590,
&end
#
# 136 VAL HA 136 VAL HB 2.60 (# 3700:20 Unique 2.39, 2.54 A)
&rst
ixpk= 3700, nxpk= 20, iat=2233,2235, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 136 VAL MGX 0 AMB 20-1:3701 2.60 (# 3701:20 Single Ambig)
&rst
ixpk= 3701, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2237,2238,2239,2241,2242,2243,
igr2=2235,2251,
&end
#
# 0 AMB 20-2:3702 0 AMB 20-1:3702 2.60 (# 3702:20 Double Ambig)
&rst
ixpk= 3702, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=2253,2254,2255,2257,2258,2259,2237,2238,2239,2241,
2242,2243,
igr2=2251,2235,
&end
#
# 0 AMB 20-2:3703 0 AMB 20-1:3703 2.60 (# 3703:20 Double Ambig)
&rst
ixpk= 3703, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.89, r4= 5.64,
igr1=2253,2254,2255,2257,2258,2259,2301,2302, 220, 221,
222,
igr2=2251,2235, 343, 344,
&end
#
# 0 AMB 20-2:3705 136 VAL MGX 5.50 (# 3705:20 Single Ambig)
&rst
ixpk= 3705, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.51, r4=12.26,
igr1=2180,2181,2182,2184,2185,2186,2180,2181,2182,2184,
2185,2186,2167,2168,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 0 AMB 20-2:3706 136 VAL MGX 3.50 (# 3706:20 Single Ambig)
&rst
ixpk= 3706, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2323,2324,2304,2305,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 0 AMB 20-2:3707 136 VAL MGX 3.50 (# 3707:20 Single Ambig)
&rst
ixpk= 3707, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2320,2321,2323,2324,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 0 AMB 20-2:3708 136 VAL MGX 2.60 (# 3708:20 Single Ambig)
&rst
ixpk= 3708, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2235,2251,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 0 AMB 20-2:3709 136 VAL MGX 4.40 (# 3709:20 Single Ambig)
&rst
ixpk= 3709, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1=2372,2373,2326,2327,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 141 ARG HA 136 VAL MGX 3.50 (# 3710:20 Unique 1.99, 3.46 A)
&rst
ixpk= 3710, nxpk= 20, iat=2318, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 136 VAL HA 136 VAL MGX 3.50 (# 3711:20 Unique 2.04, 3.43 A)
&rst
ixpk= 3711, nxpk= 20, iat=2233, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 144 TYR HD 136 VAL MGX 3.50 (# 3713:20 Unique 1.98, 4.84 A)
&rst
ixpk= 3713, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2376,2385,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 0 AMB 20-2:3714 136 VAL MGX 3.50 (# 3714:20 Single Ambig)
&rst
ixpk= 3714, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2378,2383,2174,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 135 GLN HN 136 VAL MGX 3.50 (# 3715:20 Unique 3.31, 5.30 A)
&rst
ixpk= 3715, nxpk= 20, iat=2214, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 136 VAL HN 136 VAL MGX 2.60 (# 3716:20 Unique 1.91, 3.46 A)
&rst
ixpk= 3716, nxpk= 20, iat=2231, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 140 LYS HN 136 VAL MGX 5.50 (# 3717:20 Unique 3.52, 5.99 A)
&rst
ixpk= 3717, nxpk= 20, iat=2294, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 137 VAL HN 136 VAL MGX 4.40 (# 3718:20 Unique 1.92, 3.87 A)
&rst
ixpk= 3718, nxpk= 20, iat=2247, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 136 VAL HN 136 VAL MGY 2.60 (# 3719:20 Unique 1.91, 3.46 A)
&rst
ixpk= 3719, nxpk= 20, iat=2231, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 136 VAL HA 136 VAL MGY 2.60 (# 3720:20 Unique 2.04, 3.43 A)
&rst
ixpk= 3720, nxpk= 20, iat=2233, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 141 ARG HA 136 VAL MGY 3.50 (# 3721:20 Unique 1.99, 3.46 A)
&rst
ixpk= 3721, nxpk= 20, iat=2318, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 0 AMB 20-2:3722 136 VAL MGY 2.60 (# 3722:20 Single Ambig)
&rst
ixpk= 3722, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2235,2251,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 140 LYS HB- 136 VAL MGY 2.60 (# 3723:20 Unique 2.27, 5.82 A)
&rst
ixpk= 3723, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2298,2299,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 0 AMB 20-2:3724 136 VAL MGY 2.60 (# 3724:20 Single Ambig)
&rst
ixpk= 3724, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=2323,2324,2304,2305,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 137 VAL MGX 137 VAL HA 2.60 (# 3726:20 Unique 2.16, 3.31 A)
&rst
ixpk= 3726, nxpk= 20, iat= -1,2249, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2253,2254,2255,2257,2258,2259,
&end
#
# 137 VAL MGY 137 VAL HA 2.60 (# 3727:20 Unique 2.16, 3.31 A)
&rst
ixpk= 3727, nxpk= 20, iat= -1,2249, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2253,2254,2255,2257,2258,2259,
&end
#
# 137 VAL HB 137 VAL HA 2.60 (# 3729:20 Unique 2.37, 2.71 A)
&rst
ixpk= 3729, nxpk= 20, iat=2251,2249, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 138 SER HA 137 VAL HA 4.40 (# 3730:20 Unique 4.30, 4.32 A)
&rst
ixpk= 3730, nxpk= 20, iat=2265,2249, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 137 VAL HN 137 VAL HA 3.50 (# 3731:20 Unique 2.70, 2.83 A)
&rst
ixpk= 3731, nxpk= 20, iat=2247,2249, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:3732 137 VAL HA 5.50 (# 3732:20 Single Ambig)
&rst
ixpk= 3732, nxpk= 20, iat= -1,2249, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2274,2294,
&end
#
# 138 SER HN 137 VAL HA 2.60 (# 3733:20 Unique 2.14, 2.27 A)
&rst
ixpk= 3733, nxpk= 20, iat=2263,2249, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 137 VAL HN 0 AMB 20-1:3734 2.80 (# 3734:20 Single Ambig)
&rst
ixpk= 3734, nxpk= 20, iat=2247, -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr2=2235,2251,
&end
#
# 150 GLU HN 149 LYS HB+ 3.50 (# 3735:20 Unique 2.43, 3.41 A)
&rst
ixpk= 3735, nxpk= 20, iat=2492, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2474,2475,
&end
#
# 146 ARG HA 149 LYS HB+ 3.50 (# 3736:20 Unique 1.98, 2.67 A)
&rst
ixpk= 3736, nxpk= 20, iat=2415, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2474,2475,
&end
#
# 0 AMB 20-2:3737 0 AMB 20-1:3737 2.60 (# 3737:20 Double Ambig)
&rst
ixpk= 3737, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.08, r4= 4.83,
igr1= 629, 630, 631,2167,2168,
igr2= 135, 136,2235,
&end
#
# 138 SER HN 137 VAL MGY 2.60 (# 3738:20 Unique 1.91, 3.86 A)
&rst
ixpk= 3738, nxpk= 20, iat=2263, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 138 SER HN 137 VAL MGX 3.50 (# 3739:20 Unique 1.91, 3.86 A)
&rst
ixpk= 3739, nxpk= 20, iat=2263, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 137 VAL HN 137 VAL MGY 2.60 (# 3741:20 Unique 1.97, 3.73 A)
&rst
ixpk= 3741, nxpk= 20, iat=2247, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 137 VAL HN 137 VAL MGX 2.60 (# 3742:20 Unique 1.97, 3.73 A)
&rst
ixpk= 3742, nxpk= 20, iat=2247, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 0 AMB 20-2:3743 137 VAL MGY 3.50 (# 3743:20 Single Ambig)
&rst
ixpk= 3743, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2274,2294,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 0 AMB 20-2:3744 137 VAL MGX 3.50 (# 3744:20 Single Ambig)
&rst
ixpk= 3744, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2274,2294,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 139 PHE HD 137 VAL MGY 2.60 (# 3745:20 Unique 2.00, 5.29 A)
&rst
ixpk= 3745, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2282,2290,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 139 PHE HD 137 VAL MGX 3.50 (# 3746:20 Unique 2.00, 5.29 A)
&rst
ixpk= 3746, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2282,2290,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 141 ARG HN 137 VAL MGY 3.50 (# 3747:20 Unique 3.75, 5.82 A)
&rst
ixpk= 3747, nxpk= 20, iat=2316, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 141 ARG HN 137 VAL MGX 3.50 (# 3748:20 Unique 3.75, 5.82 A)
&rst
ixpk= 3748, nxpk= 20, iat=2316, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 137 VAL HA 137 VAL MGY 2.60 (# 3749:20 Unique 2.16, 3.31 A)
&rst
ixpk= 3749, nxpk= 20, iat=2249, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 137 VAL HA 137 VAL MGX 2.60 (# 3750:20 Unique 2.16, 3.31 A)
&rst
ixpk= 3750, nxpk= 20, iat=2249, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 0 AMB 20-2:3751 137 VAL MGX 4.40 (# 3751:20 Single Ambig)
&rst
ixpk= 3751, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1=2267,2268,2296,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 0 AMB 20-2:3752 137 VAL MGY 3.50 (# 3752:20 Single Ambig)
&rst
ixpk= 3752, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2267,2268,2296,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 0 AMB 20-2:3753 137 VAL MGY 4.40 (# 3753:20 Single Ambig)
&rst
ixpk= 3753, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.76, r4= 8.51,
igr1=2265, 503, 504, 503, 504,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 0 AMB 20-2:3754 137 VAL MGX 5.50 (# 3754:20 Single Ambig)
&rst
ixpk= 3754, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1=2265, 503, 504, 503, 504,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 136 VAL HA 137 VAL MGY 3.50 (# 3755:20 Unique 3.75, 5.71 A)
&rst
ixpk= 3755, nxpk= 20, iat=2233, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 136 VAL HA 137 VAL MGX 3.50 (# 3756:20 Unique 3.75, 5.71 A)
&rst
ixpk= 3756, nxpk= 20, iat=2233, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 140 LYS HE- 137 VAL MGX 4.40 (# 3757:20 Unique 2.04, 4.84 A)
&rst
ixpk= 3757, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2307,2308,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 139 PHE HB- 137 VAL MGY 5.50 (# 3758:20 Unique 1.94, 4.73 A)
&rst
ixpk= 3758, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2278,2279,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 0 AMB 20-2:3759 137 VAL MGY 2.60 (# 3759:20 Single Ambig)
&rst
ixpk= 3759, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2251,2235,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 0 AMB 20-2:3760 137 VAL MGX 2.60 (# 3760:20 Single Ambig)
&rst
ixpk= 3760, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2251,2235,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 140 LYS HD- 137 VAL MGX 3.50 (# 3762:20 Unique 2.24, 5.58 A)
&rst
ixpk= 3762, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2304,2305,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 140 LYS HD- 137 VAL MGY 3.50 (# 3763:20 Unique 2.24, 5.58 A)
&rst
ixpk= 3763, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2304,2305,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 140 LYS HD+ 137 VAL MGX 3.50 (# 3764:20 Unique 2.24, 5.58 A)
&rst
ixpk= 3764, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2304,2305,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 140 LYS HB- 137 VAL MGX 3.50 (# 3765:20 Unique 2.00, 4.91 A)
&rst
ixpk= 3765, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2298,2299,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 140 LYS HB- 137 VAL MGY 3.50 (# 3766:20 Unique 2.00, 4.91 A)
&rst
ixpk= 3766, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2298,2299,
igr2=2253,2254,2255,2257,2258,2259,
&end
#
# 0 AMB 20-2:3767 0 AMB 20-1:3767 3.50 (# 3767:20 Double Ambig)
&rst
ixpk= 3767, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2263,2470,
igr2=2265,2391,
&end
#
# 0 AMB 20-2:3768 0 AMB 20-1:3768 3.50 (# 3768:20 Double Ambig)
&rst
ixpk= 3768, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2294,2274,2413,
igr2=2265,2391,
&end
#
# 0 AMB 20-2:3769 145 ARG HA 5.50 (# 3769:20 Single Ambig)
&rst
ixpk= 3769, nxpk= 20, iat= -1,2391, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 561, 565, 559, 567,
&end
#
# 138 SER HB+ 138 SER HA 2.60 (# 3770:20 Unique 2.24, 2.66 A)
&rst
ixpk= 3770, nxpk= 20, iat= -1,2265, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2267,2268,
&end
#
# 0 AMB 20-2:3771 0 AMB 20-1:3771 4.40 (# 3771:20 Double Ambig)
&rst
ixpk= 3771, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=2399,2400,2399,2400,
igr2=2391,2265,
&end
#
# 145 ARG HB+ 145 ARG HA 2.60 (# 3772:20 Unique 2.38, 2.78 A)
&rst
ixpk= 3772, nxpk= 20, iat= -1,2391, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2393,2394,
&end
#
# 0 AMB 20-2:3773 0 AMB 20-1:3773 3.50 (# 3773:20 Double Ambig)
&rst
ixpk= 3773, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2396,2397,2323,2324,
igr2=2391,2265,
&end
#
# 145 ARG HG- 145 ARG HA 3.50 (# 3774:20 Unique 2.11, 2.72 A)
&rst
ixpk= 3774, nxpk= 20, iat= -1,2391, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2396,2397,
&end
#
# 133 VAL MGY 145 ARG HA 2.60 (# 3775:20 Unique 1.99, 3.72 A)
&rst
ixpk= 3775, nxpk= 20, iat= -1,2391, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2180,2181,2182,2184,2185,2186,
&end
#
# 0 AMB 20-2:3776 138 SER HA 4.40 (# 3776:20 Single Ambig)
&rst
ixpk= 3776, nxpk= 20, iat= -1,2265, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=2253,2254,2255,2257,2258,2259,2301,2302,
&end
#
# 0 AMB 20-2:3777 0 AMB 20-1:3777 4.40 (# 3777:20 Double Ambig)
&rst
ixpk= 3777, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.63, r4= 9.38,
igr1= 224, 225, 227, 228, 229,2237,2238,2239,2241,2242,
2243,1693,1694,1695,1697,1698,1699,2301,2302,
igr2= 200,2265,2391,
&end
#
# 14 VAL MGX 14 VAL HA 3.50 (# 3778:20 Unique 2.16, 3.12 A)
&rst
ixpk= 3778, nxpk= 20, iat= -1, 200, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 138 SER HN 138 SER HB+ 3.50 (# 3779:20 Unique 2.09, 2.83 A)
&rst
ixpk= 3779, nxpk= 20, iat=2263, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2267,2268,
&end
#
# 0 AMB 20-2:3780 0 AMB 20-1:3780 3.50 (# 3780:20 Double Ambig)
&rst
ixpk= 3780, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2608,2548,
igr2=2601,2602,2601,2602,
&end
#
# 138 SER HA 138 SER HB+ 2.60 (# 3781:20 Unique 2.24, 2.66 A)
&rst
ixpk= 3781, nxpk= 20, iat=2265, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2267,2268,
&end
#
# 137 VAL MGY 138 SER HB+ 3.50 (# 3782:20 Unique 3.30, 6.13 A)
&rst
ixpk= 3782, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2253,2254,2255,2257,2258,2259,
igr2=2267,2268,
&end
#
# 0 AMB 20-2:3783 0 AMB 20-1:3783 4.40 (# 3783:20 Double Ambig)
&rst
ixpk= 3783, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1=2323,2324,2320,2321,2612,2613,
igr2=2267,2268,2267,2268,2601,2602,
&end
#
# 156 MET HB+ 157 SER HB+ 3.50 (# 3784:20 Unique 3.58, 5.12 A)
&rst
ixpk= 3784, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2584,2585,
igr2=2601,2602,
&end
#
# 139 PHE HB- 139 PHE HA 3.50 (# 3785:20 Unique 2.34, 2.73 A)
&rst
ixpk= 3785, nxpk= 20, iat= -1,2276, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2278,2279,
&end
#
# 0 AMB 20-2:3787 139 PHE HA 4.40 (# 3787:20 Single Ambig)
&rst
ixpk= 3787, nxpk= 20, iat= -1,2276, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2274,2294,
&end
#
# 139 PHE HD 139 PHE HB- 3.50 (# 3791:20 Unique 2.28, 3.04 A)
&rst
ixpk= 3791, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2282,2290,
igr2=2278,2279,
&end
#
# 139 PHE HD 139 PHE HB+ 2.60 (# 3792:20 Unique 2.28, 3.04 A)
&rst
ixpk= 3792, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2282,2290,
igr2=2278,2279,
&end
#
# 0 AMB 20-2:3793 0 AMB 20-1:3793 5.50 (# 3793:20 Double Ambig)
&rst
ixpk= 3793, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2274,2294,
igr2=2278,2279,2278,2279,
&end
#
# 0 AMB 20-2:3794 139 PHE HB- 3.50 (# 3794:20 Single Ambig)
&rst
ixpk= 3794, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2274,2294,
igr2=2278,2279,
&end
#
# 140 LYS HN 140 LYS HA 3.50 (# 3795:20 Unique 2.86, 2.93 A)
&rst
ixpk= 3795, nxpk= 20, iat=2294,2296, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:3796 140 LYS HA 5.50 (# 3796:20 Single Ambig)
&rst
ixpk= 3796, nxpk= 20, iat= -1,2296, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2356,2251,2235,
&end
#
# 140 LYS HB+ 140 LYS HA 3.50 (# 3797:20 Unique 2.37, 2.78 A)
&rst
ixpk= 3797, nxpk= 20, iat= -1,2296, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2298,2299,
&end
#
# 140 LYS HB- 140 LYS HA 4.40 (# 3798:20 Unique 2.37, 2.78 A)
&rst
ixpk= 3798, nxpk= 20, iat= -1,2296, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2298,2299,
&end
#
# 0 AMB 20-2:3800 0 AMB 20-1:3800 3.50 (# 3800:20 Double Ambig)
&rst
ixpk= 3800, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
igr1=2301,2302,2237,2238,2239,2241,2242,2243,
igr2=2298,2299,2298,2299,
&end
#
# 0 AMB 20-2:3801 140 LYS HB- 3.50 (# 3801:20 Single Ambig)
&rst
ixpk= 3801, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=2301,2302,2237,2238,2239,2241,2242,2243,
igr2=2298,2299,
&end
#
# 140 LYS HA 140 LYS HB+ 3.50 (# 3802:20 Unique 2.37, 2.78 A)
&rst
ixpk= 3802, nxpk= 20, iat=2296, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2298,2299,
&end
#
# 140 LYS HA 140 LYS HB- 5.50 (# 3803:20 Unique 2.37, 2.78 A)
&rst
ixpk= 3803, nxpk= 20, iat=2296, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2298,2299,
&end
#
# 140 LYS HN 140 LYS HB+ 5.50 (# 3804:20 Unique 2.28, 3.14 A)
&rst
ixpk= 3804, nxpk= 20, iat=2294, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2298,2299,
&end
#
# 140 LYS HN 140 LYS HB- 5.50 (# 3805:20 Unique 2.28, 3.14 A)
&rst
ixpk= 3805, nxpk= 20, iat=2294, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2298,2299,
&end
#
# 140 LYS HB+ 140 LYS HG+ 2.60 (# 3806:20 Unique 2.21, 2.66 A)
&rst
ixpk= 3806, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2298,2299,
igr2=2301,2302,
&end
#
# 140 LYS HA 140 LYS HG+ 3.50 (# 3808:20 Unique 2.03, 2.89 A)
&rst
ixpk= 3808, nxpk= 20, iat=2296, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2301,2302,
&end
#
# 0 AMB 20-2:3810 0 AMB 20-1:3810 5.50 (# 3810:20 Double Ambig)
&rst
ixpk= 3810, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1594,1595,1555,1556,
igr2=2301,2302,2301,2302,
&end
#
# 83 LEU HN 79 LEU MDX 4.40 (# 3811:20 Unique 4.33, 6.19 A)
&rst
ixpk= 3811, nxpk= 20, iat=1345, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1275,1276,1277,1279,1280,1281,
&end
#
# 62 ARG HN 62 ARG HB- 3.50 (# 3812:20 Unique 2.53, 3.15 A)
&rst
ixpk= 3812, nxpk= 20, iat= 947, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 951, 952,
&end
#
# 0 AMB 20-2:3813 0 AMB 20-1:3813 2.60 (# 3813:20 Double Ambig)
&rst
ixpk= 3813, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2298,2299, 978, 979,
igr2=2307,2308, 984, 985,
&end
#
# 142 ASP HN 141 ARG HA 5.50 (# 3815:20 Unique 3.50, 3.52 A)
&rst
ixpk= 3815, nxpk= 20, iat=2340,2318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 141 ARG HN 141 ARG HA 3.50 (# 3816:20 Unique 2.86, 2.87 A)
&rst
ixpk= 3816, nxpk= 20, iat=2316,2318, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 144 TYR HD 141 ARG HA 5.50 (# 3817:20 Unique 3.27, 5.21 A)
&rst
ixpk= 3817, nxpk= 20, iat= -1,2318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2376,2385,
&end
#
# 0 AMB 20-2:3818 141 ARG HA 4.40 (# 3818:20 Single Ambig)
&rst
ixpk= 3818, nxpk= 20, iat= -1,2318, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2372,2373,2326,2327,
&end
#
# 144 TYR HB- 141 ARG HA 5.50 (# 3819:20 Unique 2.42, 3.40 A)
&rst
ixpk= 3819, nxpk= 20, iat= -1,2318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2372,2373,
&end
#
# 141 ARG HB+ 141 ARG HA 3.50 (# 3820:20 Unique 2.37, 2.64 A)
&rst
ixpk= 3820, nxpk= 20, iat= -1,2318, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2320,2321,
&end
#
# 0 AMB 20-2:3821 141 ARG HA 2.60 (# 3821:20 Single Ambig)
&rst
ixpk= 3821, nxpk= 20, iat= -1,2318, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2323,2324,2320,2321,
&end
#
# 141 ARG HG- 141 ARG HA 4.40 (# 3822:20 Unique 2.09, 3.22 A)
&rst
ixpk= 3822, nxpk= 20, iat= -1,2318, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2323,2324,
&end
#
# 0 AMB 20-2:3823 141 ARG HA 5.50 (# 3823:20 Single Ambig)
&rst
ixpk= 3823, nxpk= 20, iat= -1,2318, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=2180,2181,2182,2184,2185,2186,2180,2181,2182,2184,
2185,2186,2358,2359,2360,2362,2363,2364,
&end
#
# 136 VAL MGX 141 ARG HA 3.50 (# 3824:20 Unique 1.99, 3.46 A)
&rst
ixpk= 3824, nxpk= 20, iat= -1,2318, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2237,2238,2239,2241,2242,2243,
&end
#
# 136 VAL MGY 141 ARG HA 2.60 (# 3825:20 Unique 1.99, 3.46 A)
&rst
ixpk= 3825, nxpk= 20, iat= -1,2318, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2237,2238,2239,2241,2242,2243,
&end
#
# 133 VAL HB 0 AMB 20-1:3826 4.40 (# 3826:20 Single Ambig)
&rst
ixpk= 3826, nxpk= 20, iat=2178, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=2457,2458,2194,2195,2320,2321,
&end
#
# 141 ARG HA 141 ARG HB+ 4.40 (# 3827:20 Unique 2.37, 2.64 A)
&rst
ixpk= 3827, nxpk= 20, iat=2318, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2320,2321,
&end
#
# 141 ARG HA 141 ARG HB- 5.50 (# 3828:20 Unique 2.37, 2.64 A)
&rst
ixpk= 3828, nxpk= 20, iat=2318, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2320,2321,
&end
#
# 0 AMB 20-2:3829 0 AMB 20-1:3829 3.50 (# 3829:20 Double Ambig)
&rst
ixpk= 3829, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2316,2123,
igr2=2320,2321,2457,2458,
&end
#
# 142 ASP HN 141 ARG HG- 5.50 (# 3831:20 Unique 1.93, 3.78 A)
&rst
ixpk= 3831, nxpk= 20, iat=2340, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2323,2324,
&end
#
# 141 ARG HN 141 ARG HG+ 5.50 (# 3832:20 Unique 1.93, 3.42 A)
&rst
ixpk= 3832, nxpk= 20, iat=2316, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2323,2324,
&end
#
# 0 AMB 20-2:3833 0 AMB 20-1:3833 4.40 (# 3833:20 Double Ambig)
&rst
ixpk= 3833, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1034, 446, 454,
igr2= 265, 266,1931,1932,
&end
#
# 0 AMB 20-2:3834 0 AMB 20-1:3834 4.40 (# 3834:20 Double Ambig)
&rst
ixpk= 3834, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1151,1152,1131,
igr2=1125,1126,1125,1126,
&end
#
# 141 ARG HA 141 ARG HG- 4.40 (# 3835:20 Unique 2.09, 3.22 A)
&rst
ixpk= 3835, nxpk= 20, iat=2318, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2323,2324,
&end
#
# 141 ARG HA 141 ARG HG+ 3.50 (# 3836:20 Unique 2.09, 3.22 A)
&rst
ixpk= 3836, nxpk= 20, iat=2318, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2323,2324,
&end
#
# 0 AMB 20-2:3837 0 AMB 20-1:3837 3.50 (# 3837:20 Double Ambig)
&rst
ixpk= 3837, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=2180,2181,2182,2184,2185,2186,2180,2181,2182,2184,
2185,2186,
igr2=2323,2324,2197,2198,
&end
#
# 0 AMB 20-2:3838 0 AMB 20-1:3838 3.50 (# 3838:20 Double Ambig)
&rst
ixpk= 3838, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=2180,2181,2182,2184,2185,2186,2180,2181,2182,2184,
2185,2186,
igr2=2323,2324,2323,2324,
&end
#
# 136 VAL MGX 141 ARG HG+ 4.40 (# 3839:20 Unique 1.99, 5.30 A)
&rst
ixpk= 3839, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2237,2238,2239,2241,2242,2243,
igr2=2323,2324,
&end
#
# 141 ARG HA 141 ARG HD+ 4.40 (# 3841:20 Unique 2.50, 4.50 A)
&rst
ixpk= 3841, nxpk= 20, iat=2318, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2326,2327,
&end
#
# 0 AMB 20-2:3842 142 ASP HA 4.40 (# 3842:20 Single Ambig)
&rst
ixpk= 3842, nxpk= 20, iat= -1,2342, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1=2358,2359,2360,2362,2363,2364,2180,2181,2182,2184,
2185,2186,2180,2181,2182,2184,2185,2186,
&end
#
# 145 ARG HB+ 142 ASP HA 4.40 (# 3843:20 Unique 2.34, 3.16 A)
&rst
ixpk= 3843, nxpk= 20, iat= -1,2342, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2393,2394,
&end
#
# 142 ASP HB+ 142 ASP HA 2.60 (# 3844:20 Unique 2.31, 2.72 A)
&rst
ixpk= 3844, nxpk= 20, iat= -1,2342, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2344,2345,
&end
#
# 145 ARG HD+ 142 ASP HA 3.50 (# 3845:20 Unique 2.43, 3.79 A)
&rst
ixpk= 3845, nxpk= 20, iat= -1,2342, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2399,2400,
&end
#
# 0 AMB 20-2:3847 142 ASP HA 5.50 (# 3847:20 Single Ambig)
&rst
ixpk= 3847, nxpk= 20, iat= -1,2342, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2391,2265,
&end
#
# 146 ARG HN 142 ASP HA 5.50 (# 3849:20 Unique 3.78, 4.17 A)
&rst
ixpk= 3849, nxpk= 20, iat=2413,2342, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 143 VAL HN 142 ASP HA 4.40 (# 3850:20 Unique 3.54, 3.56 A)
&rst
ixpk= 3850, nxpk= 20, iat=2352,2342, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 142 ASP HN 142 ASP HA 3.50 (# 3851:20 Unique 2.80, 2.82 A)
&rst
ixpk= 3851, nxpk= 20, iat=2340,2342, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 145 ARG HN 142 ASP HA 4.40 (# 3852:20 Unique 3.43, 3.52 A)
&rst
ixpk= 3852, nxpk= 20, iat=2389,2342, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 143 VAL HN 142 ASP HB+ 2.60 (# 3853:20 Unique 2.37, 3.05 A)
&rst
ixpk= 3853, nxpk= 20, iat=2352, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2344,2345,
&end
#
# 7 TYR HD 5 ASP HB- 5.50 (# 3854:20 Unique 2.73, 5.40 A)
&rst
ixpk= 3854, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 91, 100,
igr2= 68, 69,
&end
#
# 143 VAL HA 142 ASP HB+ 5.50 (# 3855:20 Unique 3.92, 4.43 A)
&rst
ixpk= 3855, nxpk= 20, iat=2354, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2344,2345,
&end
#
# 143 VAL HN 143 VAL HA 3.50 (# 3857:20 Unique 2.80, 2.81 A)
&rst
ixpk= 3857, nxpk= 20, iat=2352,2354, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 146 ARG HN 143 VAL HA 4.40 (# 3858:20 Unique 3.42, 3.56 A)
&rst
ixpk= 3858, nxpk= 20, iat=2413,2354, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 146 ARG HD+ 143 VAL HA 3.50 (# 3859:20 Unique 2.97, 4.11 A)
&rst
ixpk= 3859, nxpk= 20, iat= -1,2354, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2423,2424,
&end
#
# 142 ASP HB+ 143 VAL HA 5.50 (# 3860:20 Unique 3.92, 4.43 A)
&rst
ixpk= 3860, nxpk= 20, iat= -1,2354, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2344,2345,
&end
#
# 146 ARG HB+ 143 VAL HA 2.60 (# 3861:20 Unique 2.70, 3.58 A)
&rst
ixpk= 3861, nxpk= 20, iat= -1,2354, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2417,2418,
&end
#
# 143 VAL HB 143 VAL HA 3.50 (# 3862:20 Unique 2.34, 2.39 A)
&rst
ixpk= 3862, nxpk= 20, iat=2356,2354, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 143 VAL MGY 143 VAL HA 2.60 (# 3863:20 Unique 2.38, 3.53 A)
&rst
ixpk= 3863, nxpk= 20, iat= -1,2354, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2358,2359,2360,2362,2363,2364,
&end
#
# 147 VAL MGY 143 VAL HA 5.50 (# 3864:20 Unique 3.84, 6.47 A)
&rst
ixpk= 3864, nxpk= 20, iat= -1,2354, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 20-2:3865 143 VAL HB 5.50 (# 3865:20 Single Ambig)
&rst
ixpk= 3865, nxpk= 20, iat= -1,2356, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2423,2424,2372,2373,2326,2327,
&end
#
# 143 VAL HA 143 VAL HB 4.40 (# 3866:20 Unique 2.34, 2.39 A)
&rst
ixpk= 3866, nxpk= 20, iat=2354,2356, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 77 TYR HE 143 VAL HB 5.50 (# 3867:20 Unique 4.50, 7.23 A)
&rst
ixpk= 3867, nxpk= 20, iat= -1,2356, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1233,1238,
&end
#
# 143 VAL HN 143 VAL HB 2.60 (# 3868:20 Unique 2.62, 2.68 A)
&rst
ixpk= 3868, nxpk= 20, iat=2352,2356, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 75 LEU HB- 143 VAL HB 5.50 (# 3869:20 Unique 2.92, 3.79 A)
&rst
ixpk= 3869, nxpk= 20, iat= -1,2356, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1184,1185,
&end
#
# 143 VAL MGY 143 VAL HB 2.60 (# 3870:20 Unique 2.23, 2.63 A)
&rst
ixpk= 3870, nxpk= 20, iat= -1,2356, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2358,2359,2360,2362,2363,2364,
&end
#
# 147 VAL MGY 143 VAL MGX 2.60 (# 3871:20 Unique 2.55, 6.61 A)
&rst
ixpk= 3871, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2443,2444,2445,2447,2448,2449,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 147 VAL MGX 143 VAL MGX 4.40 (# 3872:20 Unique 2.55, 6.61 A)
&rst
ixpk= 3872, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1=2443,2444,2445,2447,2448,2449,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 0 AMB 20-2:3873 143 VAL MGX 3.50 (# 3873:20 Single Ambig)
&rst
ixpk= 3873, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1187,2417,2418,1586,1587,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 75 LEU HB- 143 VAL MGX 3.50 (# 3874:20 Unique 1.96, 4.21 A)
&rst
ixpk= 3874, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1184,1185,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 143 VAL HB 143 VAL MGX 2.60 (# 3875:20 Unique 2.23, 2.63 A)
&rst
ixpk= 3875, nxpk= 20, iat=2356, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 147 VAL HA 143 VAL MGX 5.50 (# 3876:20 Unique 5.50, 7.62 A)
&rst
ixpk= 3876, nxpk= 20, iat=2439, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 0 AMB 20-2:3877 143 VAL MGX 3.50 (# 3877:20 Single Ambig)
&rst
ixpk= 3877, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=2372,2373,2423,2424,1227,1228,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 143 VAL HA 143 VAL MGX 2.60 (# 3878:20 Unique 2.38, 3.53 A)
&rst
ixpk= 3878, nxpk= 20, iat=2354, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 144 TYR HA 143 VAL MGX 3.50 (# 3879:20 Unique 3.27, 4.50 A)
&rst
ixpk= 3879, nxpk= 20, iat=2370, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 140 LYS HA 143 VAL MGX 3.50 (# 3880:20 Unique 2.03, 4.40 A)
&rst
ixpk= 3880, nxpk= 20, iat=2296, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 97 GLN HE2- 143 VAL MGX 5.50 (# 3882:20 Unique 2.58, 6.24 A)
&rst
ixpk= 3882, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1594,1595,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 144 TYR HD 143 VAL MGX 2.60 (# 3883:20 Unique 1.97, 5.32 A)
&rst
ixpk= 3883, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2376,2385,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 144 TYR HE 143 VAL MGX 4.40 (# 3884:20 Unique 3.29, 6.37 A)
&rst
ixpk= 3884, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2378,2383,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 35 PHE HD 143 VAL MGX 4.40 (# 3885:20 Unique 6.81,11.03 A)
&rst
ixpk= 3885, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 559, 567,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 99 TRP HZ2 143 VAL MGX 3.50 (# 3886:20 Unique 3.33, 5.43 A)
&rst
ixpk= 3886, nxpk= 20, iat=1634, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 143 VAL HN 143 VAL MGX 3.50 (# 3887:20 Unique 1.81, 3.65 A)
&rst
ixpk= 3887, nxpk= 20, iat=2352, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 0 AMB 20-2:3888 143 VAL MGX 5.50 (# 3888:20 Single Ambig)
&rst
ixpk= 3888, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2437,2453,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 144 TYR HN 143 VAL MGX 3.50 (# 3889:20 Unique 1.83, 3.43 A)
&rst
ixpk= 3889, nxpk= 20, iat=2368, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 99 TRP HE1 143 VAL MGX 3.50 (# 3890:20 Unique 2.72, 5.04 A)
&rst
ixpk= 3890, nxpk= 20, iat=1631, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 143 VAL HN 143 VAL MGY 2.60 (# 3891:20 Unique 1.81, 3.65 A)
&rst
ixpk= 3891, nxpk= 20, iat=2352, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 142 ASP HN 143 VAL MGY 4.40 (# 3892:20 Unique 3.56, 5.90 A)
&rst
ixpk= 3892, nxpk= 20, iat=2340, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 144 TYR HN 143 VAL MGY 3.50 (# 3893:20 Unique 1.83, 3.43 A)
&rst
ixpk= 3893, nxpk= 20, iat=2368, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 35 PHE HD 143 VAL MGY 4.40 (# 3894:20 Unique 6.81,11.03 A)
&rst
ixpk= 3894, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 559, 567,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 144 TYR HD 143 VAL MGY 2.60 (# 3895:20 Unique 1.97, 5.32 A)
&rst
ixpk= 3895, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2376,2385,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 77 TYR HA 143 VAL MGY 5.50 (# 3896:20 Unique 6.16, 8.80 A)
&rst
ixpk= 3896, nxpk= 20, iat=1225, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 140 LYS HA 143 VAL MGY 4.40 (# 3898:20 Unique 2.03, 4.40 A)
&rst
ixpk= 3898, nxpk= 20, iat=2296, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 143 VAL HA 143 VAL MGY 2.60 (# 3899:20 Unique 2.38, 3.53 A)
&rst
ixpk= 3899, nxpk= 20, iat=2354, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 0 AMB 20-2:3900 143 VAL MGY 3.50 (# 3900:20 Single Ambig)
&rst
ixpk= 3900, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2372,2373,1227,1228,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 142 ASP HB+ 143 VAL MGY 4.40 (# 3901:20 Unique 3.82, 6.33 A)
&rst
ixpk= 3901, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2344,2345,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 143 VAL HB 143 VAL MGY 2.60 (# 3902:20 Unique 2.23, 2.63 A)
&rst
ixpk= 3902, nxpk= 20, iat=2356, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 146 ARG HB+ 143 VAL MGY 3.50 (# 3903:20 Unique 3.93, 6.43 A)
&rst
ixpk= 3903, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2417,2418,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 75 LEU HB- 143 VAL MGY 3.50 (# 3904:20 Unique 1.96, 4.21 A)
&rst
ixpk= 3904, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1184,1185,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 147 VAL MGY 143 VAL MGY 4.40 (# 3905:20 Unique 2.55, 6.61 A)
&rst
ixpk= 3905, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1=2443,2444,2445,2447,2448,2449,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 147 VAL MGY 144 TYR HA 4.40 (# 3906:20 Unique 2.06, 4.12 A)
&rst
ixpk= 3906, nxpk= 20, iat= -1,2370, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=2443,2444,2445,2447,2448,2449,
&end
#
# 147 VAL HB 144 TYR HA 5.50 (# 3907:20 Unique 2.63, 3.52 A)
&rst
ixpk= 3907, nxpk= 20, iat=2441,2370, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 144 TYR HB- 144 TYR HA 4.40 (# 3908:20 Unique 2.56, 2.83 A)
&rst
ixpk= 3908, nxpk= 20, iat= -1,2370, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2372,2373,
&end
#
# 144 TYR HB+ 144 TYR HA 4.40 (# 3909:20 Unique 2.56, 2.83 A)
&rst
ixpk= 3909, nxpk= 20, iat= -1,2370, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2372,2373,
&end
#
# 144 TYR HD 144 TYR HA 3.50 (# 3910:20 Unique 1.95, 3.29 A)
&rst
ixpk= 3910, nxpk= 20, iat= -1,2370, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2376,2385,
&end
#
# 144 TYR HE 144 TYR HA 5.50 (# 3911:20 Unique 4.29, 5.01 A)
&rst
ixpk= 3911, nxpk= 20, iat= -1,2370, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2378,2383,
&end
#
# 144 TYR HN 144 TYR HA 4.40 (# 3912:20 Unique 2.80, 2.83 A)
&rst
ixpk= 3912, nxpk= 20, iat=2368,2370, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 0 AMB 20-2:3913 144 TYR HA 4.40 (# 3913:20 Single Ambig)
&rst
ixpk= 3913, nxpk= 20, iat= -1,2370, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2437,2453,
&end
#
# 144 TYR HN 144 TYR HB+ 4.40 (# 3914:20 Unique 2.07, 2.80 A)
&rst
ixpk= 3914, nxpk= 20, iat=2368, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2372,2373,
&end
#
# 144 TYR HN 144 TYR HB- 5.50 (# 3915:20 Unique 2.07, 2.80 A)
&rst
ixpk= 3915, nxpk= 20, iat=2368, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2372,2373,
&end
#
# 144 TYR HD 144 TYR HB- 4.40 (# 3916:20 Unique 2.30, 3.06 A)
&rst
ixpk= 3916, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2376,2385,
igr2=2372,2373,
&end
#
# 144 TYR HD 144 TYR HB+ 5.50 (# 3917:20 Unique 2.30, 3.06 A)
&rst
ixpk= 3917, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2376,2385,
igr2=2372,2373,
&end
#
# 144 TYR HA 144 TYR HB+ 4.40 (# 3918:20 Unique 2.56, 2.83 A)
&rst
ixpk= 3918, nxpk= 20, iat=2370, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2372,2373,
&end
#
# 144 TYR HA 144 TYR HB- 5.50 (# 3919:20 Unique 2.56, 2.83 A)
&rst
ixpk= 3919, nxpk= 20, iat=2370, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2372,2373,
&end
#
# 0 AMB 20-2:3920 144 TYR HB- 5.50 (# 3920:20 Single Ambig)
&rst
ixpk= 3920, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=2180,2181,2182,2184,2185,2186,2358,2359,2360,2362,
2363,2364,
igr2=2372,2373,
&end
#
# 0 AMB 20-2:3921 0 AMB 20-1:3921 5.50 (# 3921:20 Double Ambig)
&rst
ixpk= 3921, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=2180,2181,2182,2184,2185,2186,2358,2359,2360,2362,
2363,2364,
igr2=2372,2373,2372,2373,
&end
#
# 141 ARG HN 138 SER HA 5.50 (# 3922:20 Unique 2.87, 3.41 A)
&rst
ixpk= 3922, nxpk= 20, iat=2316,2265, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 145 ARG HN 145 ARG HA 3.50 (# 3923:20 Unique 2.81, 2.84 A)
&rst
ixpk= 3923, nxpk= 20, iat=2389,2391, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 158 LEU HN 160 GLU HB- 5.50 (# 3925:20 Unique 3.40, 4.63 A)
&rst
ixpk= 3925, nxpk= 20, iat=2608, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2648,2649,
&end
#
# 145 ARG HA 145 ARG HB+ 2.60 (# 3926:20 Unique 2.38, 2.78 A)
&rst
ixpk= 3926, nxpk= 20, iat=2391, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2393,2394,
&end
#
# 0 AMB 20-2:3927 0 AMB 20-1:3927 2.60 (# 3927:20 Double Ambig)
&rst
ixpk= 3927, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2396,2397,2323,2324,2320,2321,
igr2=2393,2394,2393,2394,2393,2394,
&end
#
# 145 ARG HG- 145 ARG HB+ 2.60 (# 3928:20 Unique 2.25, 2.72 A)
&rst
ixpk= 3928, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2396,2397,
igr2=2393,2394,
&end
#
# 0 AMB 20-2:3929 0 AMB 20-1:3929 5.50 (# 3929:20 Double Ambig)
&rst
ixpk= 3929, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=1354,1355,1356,1358,1359,1360,1354,1355,1356,1358,
1359,1360,
igr2=1325,1326,1325,1326,
&end
#
# 145 ARG HN 145 ARG HG- 5.50 (# 3930:20 Unique 2.79, 3.96 A)
&rst
ixpk= 3930, nxpk= 20, iat=2389, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2396,2397,
&end
#
# 0 AMB 20-2:3931 0 AMB 20-1:3931 5.50 (# 3931:20 Double Ambig)
&rst
ixpk= 3931, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2128,2413,
igr2=2396,2397,2396,2397,
&end
#
# 0 AMB 20-2:3932 0 AMB 20-1:3932 2.60 (# 3932:20 Double Ambig)
&rst
ixpk= 3932, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1331,1332,2399,2400,
igr2=1289,1290,2396,2397,
&end
#
# 146 ARG HD+ 145 ARG HG- 2.60 (# 3933:20 Unique 3.09, 5.89 A)
&rst
ixpk= 3933, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2423,2424,
igr2=2396,2397,
&end
#
# 0 AMB 20-2:3934 145 ARG HG- 3.50 (# 3934:20 Single Ambig)
&rst
ixpk= 3934, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2180,2181,2182,2184,2185,2186,2180,2181,2182,2184,
2185,2186,
igr2=2396,2397,
&end
#
# 0 AMB 20-2:3936 0 AMB 20-1:3936 5.50 (# 3936:20 Double Ambig)
&rst
ixpk= 3936, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2178,1550,1551,
igr2=2399,2400, 114, 115,
&end
#
# 145 ARG HN 145 ARG HD+ 5.50 (# 3937:20 Unique 3.67, 4.67 A)
&rst
ixpk= 3937, nxpk= 20, iat=2389, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2399,2400,
&end
#
# 142 ASP HN 145 ARG HD+ 5.50 (# 3938:20 Unique 4.05, 5.68 A)
&rst
ixpk= 3938, nxpk= 20, iat=2340, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2399,2400,
&end
#
# 149 LYS HN 146 ARG HA 4.40 (# 3940:20 Unique 3.19, 3.33 A)
&rst
ixpk= 3940, nxpk= 20, iat=2470,2415, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 0 AMB 20-2:3941 146 ARG HA 4.40 (# 3941:20 Single Ambig)
&rst
ixpk= 3941, nxpk= 20, iat= -1,2415, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2437,2453,
&end
#
# 146 ARG HN 146 ARG HA 3.50 (# 3942:20 Unique 2.83, 2.85 A)
&rst
ixpk= 3942, nxpk= 20, iat=2413,2415, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 146 ARG HD+ 146 ARG HA 3.50 (# 3943:20 Unique 2.65, 3.46 A)
&rst
ixpk= 3943, nxpk= 20, iat= -1,2415, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2423,2424,
&end
#
# 149 LYS HE+ 146 ARG HA 5.50 (# 3944:20 Unique 2.47, 3.68 A)
&rst
ixpk= 3944, nxpk= 20, iat= -1,2415, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2483,2484,
&end
#
# 0 AMB 20-2:3945 146 ARG HA 2.60 (# 3945:20 Single Ambig)
&rst
ixpk= 3945, nxpk= 20, iat= -1,2415, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2420,2421,2417,2418,
&end
#
# 146 ARG HG- 146 ARG HA 2.60 (# 3946:20 Unique 2.09, 2.86 A)
&rst
ixpk= 3946, nxpk= 20, iat= -1,2415, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2420,2421,
&end
#
# 0 AMB 20-2:3947 146 ARG HA 5.50 (# 3947:20 Single Ambig)
&rst
ixpk= 3947, nxpk= 20, iat= -1,2415, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1189,1190,1191,1193,1194,1195,1189,1190,1191,1193,
1194,1195,
&end
#
# 147 VAL MGY 146 ARG HB+ 4.40 (# 3948:20 Unique 3.74, 6.06 A)
&rst
ixpk= 3948, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2443,2444,2445,2447,2448,2449,
igr2=2417,2418,
&end
#
# 75 LEU MDX 146 ARG HB+ 2.60 (# 3949:20 Unique 1.97, 3.77 A)
&rst
ixpk= 3949, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1189,1190,1191,1193,1194,1195,
igr2=2417,2418,
&end
#
# 146 ARG HG- 146 ARG HB+ 2.60 (# 3950:20 Unique 2.22, 2.62 A)
&rst
ixpk= 3950, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2420,2421,
igr2=2417,2418,
&end
#
# 147 VAL HA 146 ARG HB+ 5.50 (# 3951:20 Unique 3.87, 4.36 A)
&rst
ixpk= 3951, nxpk= 20, iat=2439, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2417,2418,
&end
#
# 146 ARG HD+ 146 ARG HB+ 2.60 (# 3952:20 Unique 2.15, 3.13 A)
&rst
ixpk= 3952, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2423,2424,
igr2=2417,2418,
&end
#
# 143 VAL HA 146 ARG HB+ 4.40 (# 3953:20 Unique 2.70, 3.58 A)
&rst
ixpk= 3953, nxpk= 20, iat=2354, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2417,2418,
&end
#
# 146 ARG HA 146 ARG HB+ 2.60 (# 3954:20 Unique 2.67, 2.83 A)
&rst
ixpk= 3954, nxpk= 20, iat=2415, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2417,2418,
&end
#
# 146 ARG HN 146 ARG HB+ 2.60 (# 3955:20 Unique 2.10, 2.78 A)
&rst
ixpk= 3955, nxpk= 20, iat=2413, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2417,2418,
&end
#
# 147 VAL HN 146 ARG HB+ 3.50 (# 3956:20 Unique 2.70, 2.92 A)
&rst
ixpk= 3956, nxpk= 20, iat=2437, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2417,2418,
&end
#
# 145 ARG HN 146 ARG HB+ 5.50 (# 3957:20 Unique 4.34, 5.16 A)
&rst
ixpk= 3957, nxpk= 20, iat=2389, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2417,2418,
&end
#
# 0 AMB 20-2:3958 0 AMB 20-1:3958 5.50 (# 3958:20 Double Ambig)
&rst
ixpk= 3958, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
igr1=2697,1741,2342, 284,
igr2= 265, 266, 265, 266,2420,2421, 265, 266,
&end
#
# 146 ARG HN 146 ARG HG- 3.50 (# 3959:20 Unique 3.68, 4.13 A)
&rst
ixpk= 3959, nxpk= 20, iat=2413, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2420,2421,
&end
#
# 146 ARG HN 146 ARG HG+ 3.50 (# 3960:20 Unique 3.68, 4.13 A)
&rst
ixpk= 3960, nxpk= 20, iat=2413, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2420,2421,
&end
#
# 147 VAL HN 146 ARG HG+ 5.50 (# 3961:20 Unique 4.86, 4.98 A)
&rst
ixpk= 3961, nxpk= 20, iat=2437, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2420,2421,
&end
#
# 146 ARG HN 146 ARG HD+ 2.60 (# 3962:20 Unique 2.41, 3.04 A)
&rst
ixpk= 3962, nxpk= 20, iat=2413, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2423,2424,
&end
#
# 0 AMB 20-2:3963 0 AMB 20-1:3963 5.50 (# 3963:20 Double Ambig)
&rst
ixpk= 3963, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1=2376,2385,1629,2515,2523,
igr2=2423,2424,2423,2424,2423,2424,
&end
#
# 146 ARG HA 146 ARG HD+ 3.50 (# 3964:20 Unique 2.65, 3.46 A)
&rst
ixpk= 3964, nxpk= 20, iat=2415, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2423,2424,
&end
#
# 143 VAL HA 146 ARG HD+ 3.50 (# 3965:20 Unique 2.97, 4.11 A)
&rst
ixpk= 3965, nxpk= 20, iat=2354, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2423,2424,
&end
#
# 0 AMB 20-2:3966 0 AMB 20-1:3966 2.60 (# 3966:20 Double Ambig)
&rst
ixpk= 3966, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2417,2418,2420,2421,
igr2=2423,2424,2423,2424,
&end
#
# 147 VAL MGY 147 VAL HA 2.60 (# 3967:20 Unique 2.30, 3.33 A)
&rst
ixpk= 3967, nxpk= 20, iat= -1,2439, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2443,2444,2445,2447,2448,2449,
&end
#
# 147 VAL MGX 147 VAL HA 2.60 (# 3968:20 Unique 2.30, 3.33 A)
&rst
ixpk= 3968, nxpk= 20, iat= -1,2439, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2443,2444,2445,2447,2448,2449,
&end
#
# 71 THR MG2 147 VAL HA 3.50 (# 3969:20 Unique 2.11, 3.43 A)
&rst
ixpk= 3969, nxpk= 20, iat= -1,2439, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1110,1111,1112,
&end
#
# 147 VAL HB 147 VAL HA 3.50 (# 3970:20 Unique 2.40, 2.69 A)
&rst
ixpk= 3970, nxpk= 20, iat=2441,2439, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:3971 147 VAL HA 3.50 (# 3971:20 Single Ambig)
&rst
ixpk= 3971, nxpk= 20, iat= -1,2439, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2496,2497,2457,2458,
&end
#
# 0 AMB 20-2:3972 147 VAL HA 3.50 (# 3972:20 Single Ambig)
&rst
ixpk= 3972, nxpk= 20, iat= -1,2439, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=2496,2497,2417,2418,1187,
&end
#
# 0 AMB 20-2:3974 147 VAL HA 4.40 (# 3974:20 Single Ambig)
&rst
ixpk= 3974, nxpk= 20, iat= -1,2439, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr1=2492,1151,1152,
&end
#
# 0 AMB 20-2:3975 147 VAL HA 2.60 (# 3975:20 Single Ambig)
&rst
ixpk= 3975, nxpk= 20, iat= -1,2439, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2437,2453,
&end
#
# 0 AMB 20-2:3976 147 VAL HA 4.40 (# 3976:20 Single Ambig)
&rst
ixpk= 3976, nxpk= 20, iat= -1,2439, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr1=1629,2515,2523,
&end
#
# 147 VAL MGY 147 VAL HB 2.60 (# 3978:20 Unique 2.23, 2.63 A)
&rst
ixpk= 3978, nxpk= 20, iat= -1,2441, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2443,2444,2445,2447,2448,2449,
&end
#
# 147 VAL MGX 147 VAL HB 2.60 (# 3979:20 Unique 2.23, 2.63 A)
&rst
ixpk= 3979, nxpk= 20, iat= -1,2441, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 20-2:3980 147 VAL HB 5.50 (# 3980:20 Single Ambig)
&rst
ixpk= 3980, nxpk= 20, iat= -1,2441, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1=1187,2417,2418,2496,2497,1586,1587,
&end
#
# 147 VAL HA 147 VAL HB 3.50 (# 3981:20 Unique 2.40, 2.69 A)
&rst
ixpk= 3981, nxpk= 20, iat=2439,2441, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 144 TYR HA 147 VAL HB 4.40 (# 3982:20 Unique 2.63, 3.52 A)
&rst
ixpk= 3982, nxpk= 20, iat=2370,2441, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 0 AMB 20-2:3983 147 VAL HB 5.50 (# 3983:20 Single Ambig)
&rst
ixpk= 3983, nxpk= 20, iat= -1,2441, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1629,2376,2385,
&end
#
# 146 ARG HN 147 VAL HB 5.50 (# 3984:20 Unique 4.60, 4.92 A)
&rst
ixpk= 3984, nxpk= 20, iat=2413,2441, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:3985 147 VAL HB 2.60 (# 3985:20 Single Ambig)
&rst
ixpk= 3985, nxpk= 20, iat= -1,2441, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2437,2453,
&end
#
# 144 TYR HN 147 VAL MGY 5.50 (# 3986:20 Unique 4.36, 6.47 A)
&rst
ixpk= 3986, nxpk= 20, iat=2368, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 147 VAL HN 147 VAL MGY 2.60 (# 3987:20 Unique 1.93, 3.74 A)
&rst
ixpk= 3987, nxpk= 20, iat=2437, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 146 ARG HN 147 VAL MGY 4.40 (# 3988:20 Unique 3.60, 5.97 A)
&rst
ixpk= 3988, nxpk= 20, iat=2413, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 20-2:3989 147 VAL MGY 5.50 (# 3989:20 Single Ambig)
&rst
ixpk= 3989, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=1640,1594,1595,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 20-2:3990 147 VAL MGY 2.60 (# 3990:20 Single Ambig)
&rst
ixpk= 3990, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1629,2376,2385,2515,2523,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 20-2:3992 147 VAL MGY 5.50 (# 3992:20 Single Ambig)
&rst
ixpk= 3992, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=2455,1106, 174, 175,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 20-2:3993 147 VAL MGY 5.50 (# 3993:20 Single Ambig)
&rst
ixpk= 3993, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1108,1158,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 144 TYR HA 147 VAL MGY 3.50 (# 3994:20 Unique 2.06, 4.12 A)
&rst
ixpk= 3994, nxpk= 20, iat=2370, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 99 TRP HB+ 147 VAL MGY 5.50 (# 3995:20 Unique 1.99, 4.09 A)
&rst
ixpk= 3995, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1625,1626,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 99 TRP HB- 147 VAL MGY 5.50 (# 3996:20 Unique 1.99, 4.09 A)
&rst
ixpk= 3996, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1625,1626,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 147 VAL HA 147 VAL MGY 2.60 (# 3997:20 Unique 2.30, 3.33 A)
&rst
ixpk= 3997, nxpk= 20, iat=2439, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 20-2:3998 147 VAL MGY 3.50 (# 3998:20 Single Ambig)
&rst
ixpk= 3998, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=2417,2418,2496,2497,1586,1587,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 20-2:3999 147 VAL MGY 4.40 (# 3999:20 Single Ambig)
&rst
ixpk= 3999, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1=2457,2458,2396,2397,1612,1613,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 75 LEU MDX 147 VAL MGY 2.60 (# 4000:20 Unique 1.93, 5.77 A)
&rst
ixpk= 4000, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1189,1190,1191,1193,1194,1195,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 147 VAL HB 147 VAL MGY 2.60 (# 4001:20 Unique 2.23, 2.63 A)
&rst
ixpk= 4001, nxpk= 20, iat=2441, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 20-2:4003 147 VAL MGY 2.60 (# 4003:20 Single Ambig)
&rst
ixpk= 4003, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1110,1111,1112,2358,2359,2360,2362,2363,2364,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 14 VAL MGX 147 VAL MGX 2.60 (# 4006:20 Unique 3.99, 7.22 A)
&rst
ixpk= 4006, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 204, 205, 206, 208, 209, 210,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 14 VAL MGY 147 VAL MGX 4.40 (# 4007:20 Unique 3.99, 7.22 A)
&rst
ixpk= 4007, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1= 204, 205, 206, 208, 209, 210,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 147 VAL HB 147 VAL MGX 2.60 (# 4008:20 Unique 2.23, 2.63 A)
&rst
ixpk= 4008, nxpk= 20, iat=2441, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 75 LEU MDX 147 VAL MGX 3.50 (# 4009:20 Unique 1.93, 5.77 A)
&rst
ixpk= 4009, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1189,1190,1191,1193,1194,1195,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 143 VAL MGX 147 VAL MGX 2.60 (# 4010:20 Unique 2.55, 6.61 A)
&rst
ixpk= 4010, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2358,2359,2360,2362,2363,2364,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 20-2:4011 147 VAL MGX 4.40 (# 4011:20 Single Ambig)
&rst
ixpk= 4011, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1=2417,2418,2496,2497,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 147 VAL HA 147 VAL MGX 2.60 (# 4012:20 Unique 2.30, 3.33 A)
&rst
ixpk= 4012, nxpk= 20, iat=2439, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 99 TRP HB- 147 VAL MGX 4.40 (# 4013:20 Unique 1.99, 4.09 A)
&rst
ixpk= 4013, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1625,1626,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 99 TRP HB+ 147 VAL MGX 3.50 (# 4014:20 Unique 1.99, 4.09 A)
&rst
ixpk= 4014, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1625,1626,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 20-2:4015 147 VAL MGX 5.50 (# 4015:20 Single Ambig)
&rst
ixpk= 4015, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=2511,2512,2423,2424,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 144 TYR HA 147 VAL MGX 4.40 (# 4016:20 Unique 2.06, 4.12 A)
&rst
ixpk= 4016, nxpk= 20, iat=2370, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 20-2:4017 147 VAL MGX 4.40 (# 4017:20 Single Ambig)
&rst
ixpk= 4017, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.76, r4= 8.51,
igr1=2455, 174, 175, 174, 175,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 20-2:4019 147 VAL MGX 3.50 (# 4019:20 Single Ambig)
&rst
ixpk= 4019, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2376,2385,2515,2523,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 20-2:4020 147 VAL MGX 3.50 (# 4020:20 Single Ambig)
&rst
ixpk= 4020, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1640,1594,1595,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 20-2:4021 147 VAL MGX 4.40 (# 4021:20 Single Ambig)
&rst
ixpk= 4021, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2413,2492,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 20-2:4022 147 VAL MGX 5.50 (# 4022:20 Single Ambig)
&rst
ixpk= 4022, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1621,2352,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 20-2:4023 147 VAL MGX 2.60 (# 4023:20 Single Ambig)
&rst
ixpk= 4023, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2437,2453,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 20-2:4024 0 AMB 20-1:4024 2.60 (# 4024:20 Double Ambig)
&rst
ixpk= 4024, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2453,2659,
igr2=2455,2646,2629,
&end
#
# 0 AMB 20-2:4025 0 AMB 20-1:4025 2.60 (# 4025:20 Double Ambig)
&rst
ixpk= 4025, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2651,2652,2634,2635,2634,2635,2634,2635,
igr2=2646,2629,
&end
#
# 159 GLN HB+ 159 GLN HA 2.60 (# 4026:20 Unique 2.29, 2.46 A)
&rst
ixpk= 4026, nxpk= 20, iat= -1,2629, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2631,2632,
&end
#
# 148 MET ME 148 MET HA 3.50 (# 4027:20 Unique 2.00, 3.39 A)
&rst
ixpk= 4027, nxpk= 20, iat= -1,2455, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=2464,2465,2466,
&end
#
# 147 VAL MGX 148 MET HA 5.50 (# 4028:20 Unique 3.35, 4.96 A)
&rst
ixpk= 4028, nxpk= 20, iat= -1,2455, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 20-2:4029 0 AMB 20-1:4029 3.50 (# 4029:20 Double Ambig)
&rst
ixpk= 4029, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2627,2527,2492,
igr2=2629,2455,
&end
#
# 0 AMB 20-2:4030 0 AMB 20-1:4030 5.50 (# 4030:20 Double Ambig)
&rst
ixpk= 4030, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 282,2608,
igr2=2629,2646,
&end
#
# 160 GLU HN 0 AMB 20-1:4031 2.60 (# 4031:20 Single Ambig)
&rst
ixpk= 4031, nxpk= 20, iat=2644, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2646,2629,
&end
#
# 149 LYS HN 149 LYS HA 3.50 (# 4033:20 Unique 2.82, 2.84 A)
&rst
ixpk= 4033, nxpk= 20, iat=2470,2472, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:4034 149 LYS HA 3.50 (# 4034:20 Single Ambig)
&rst
ixpk= 4034, nxpk= 20, iat= -1,2472, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2527,2492,
&end
#
# 130 TRP HH2 149 LYS HA 2.60 (# 4035:20 Unique 4.37, 9.21 A)
&rst
ixpk= 4035, nxpk= 20, iat=2130,2472, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 149 LYS HE+ 149 LYS HA 5.50 (# 4036:20 Unique 3.77, 5.33 A)
&rst
ixpk= 4036, nxpk= 20, iat= -1,2472, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2483,2484,
&end
#
# 149 LYS HB+ 149 LYS HA 2.60 (# 4037:20 Unique 2.33, 2.70 A)
&rst
ixpk= 4037, nxpk= 20, iat= -1,2472, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2474,2475,
&end
#
# 149 LYS HB- 149 LYS HA 3.50 (# 4038:20 Unique 2.33, 2.70 A)
&rst
ixpk= 4038, nxpk= 20, iat= -1,2472, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2474,2475,
&end
#
# 0 AMB 20-2:4039 149 LYS HA 3.50 (# 4039:20 Single Ambig)
&rst
ixpk= 4039, nxpk= 20, iat= -1,2472, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2477,2478,2480,2481,
&end
#
# 0 AMB 20-2:4040 149 LYS HA 3.50 (# 4040:20 Single Ambig)
&rst
ixpk= 4040, nxpk= 20, iat= -1,2472, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=2477,2478,2531,2532,2533,
&end
#
# 0 AMB 20-2:4041 0 AMB 20-1:4041 4.40 (# 4041:20 Double Ambig)
&rst
ixpk= 4041, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=2470, 738,
igr2=2477,2478, 793, 794,
&end
#
# 149 LYS HB+ 149 LYS HG+ 3.50 (# 4042:20 Unique 2.23, 2.65 A)
&rst
ixpk= 4042, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2474,2475,
igr2=2477,2478,
&end
#
# 149 LYS HB+ 149 LYS HG- 3.50 (# 4043:20 Unique 2.23, 2.65 A)
&rst
ixpk= 4043, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2474,2475,
igr2=2477,2478,
&end
#
# 0 AMB 20-2:4044 0 AMB 20-1:4044 2.60 (# 4044:20 Double Ambig)
&rst
ixpk= 4044, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1= 790, 791,2474,2475, 817, 818,
igr2= 793, 794,2477,2478,
&end
#
# 0 AMB 20-2:4045 0 AMB 20-1:4045 3.50 (# 4045:20 Double Ambig)
&rst
ixpk= 4045, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 790, 791,2474,2475, 817, 818,
igr2= 793, 794,2477,2478, 793, 794,
&end
#
# 0 AMB 20-2:4046 0 AMB 20-1:4046 2.60 (# 4046:20 Double Ambig)
&rst
ixpk= 4046, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2483,2484,1257,1258,
igr2=2480,2481,1254,1255,
&end
#
# 149 LYS HA 149 LYS HD- 3.50 (# 4047:20 Unique 2.19, 4.05 A)
&rst
ixpk= 4047, nxpk= 20, iat=2472, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2480,2481,
&end
#
# 0 AMB 20-2:4048 0 AMB 20-1:4048 2.60 (# 4048:20 Double Ambig)
&rst
ixpk= 4048, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2474,2475, 289, 290,
igr2=2480,2481, 262, 263,
&end
#
# 149 LYS HB+ 149 LYS HE+ 3.50 (# 4050:20 Unique 2.02, 3.51 A)
&rst
ixpk= 4050, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2474,2475,
igr2=2483,2484,
&end
#
# 0 AMB 20-2:4051 0 AMB 20-1:4051 2.60 (# 4051:20 Double Ambig)
&rst
ixpk= 4051, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
igr1= 790, 791, 793, 794,1254,1255,1309,1310,1248,1249,
igr2= 796, 797, 796, 797,1257,1258,1312,1313,1257,1258,
&end
#
# 0 AMB 20-2:4053 0 AMB 20-1:4053 5.50 (# 4053:20 Double Ambig)
&rst
ixpk= 4053, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1151,1152,1423,
igr2=2483,2484,1312,1313,
&end
#
# 0 AMB 20-2:4054 150 GLU HA 2.60 (# 4054:20 Single Ambig)
&rst
ixpk= 4054, nxpk= 20, iat= -1,2494, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2492,2527,
&end
#
# 147 VAL MGY 0 AMB 20-1:4055 4.40 (# 4055:20 Single Ambig)
&rst
ixpk= 4055, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1=2443,2444,2445,2447,2448,2449,
igr2=1187,2496,2497,
&end
#
# 147 VAL MGY 150 GLU HB- 5.50 (# 4056:20 Unique 4.15, 6.83 A)
&rst
ixpk= 4056, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2443,2444,2445,2447,2448,2449,
igr2=2496,2497,
&end
#
# 71 THR MG2 150 GLU HB- 2.60 (# 4058:20 Unique 2.62, 4.21 A)
&rst
ixpk= 4058, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1110,1111,1112,
igr2=2496,2497,
&end
#
# 150 GLU HG- 150 GLU HB+ 2.60 (# 4059:20 Unique 2.21, 2.60 A)
&rst
ixpk= 4059, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2499,2500,
igr2=2496,2497,
&end
#
# 150 GLU HG+ 150 GLU HB+ 2.60 (# 4060:20 Unique 2.21, 2.60 A)
&rst
ixpk= 4060, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2499,2500,
igr2=2496,2497,
&end
#
# 150 GLU HG- 150 GLU HB- 2.60 (# 4061:20 Unique 2.21, 2.60 A)
&rst
ixpk= 4061, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2499,2500,
igr2=2496,2497,
&end
#
# 150 GLU HG+ 150 GLU HB- 2.60 (# 4062:20 Unique 2.21, 2.60 A)
&rst
ixpk= 4062, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2499,2500,
igr2=2496,2497,
&end
#
# 147 VAL HA 150 GLU HB- 3.50 (# 4063:20 Unique 3.23, 4.25 A)
&rst
ixpk= 4063, nxpk= 20, iat=2439, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2496,2497,
&end
#
# 147 VAL HA 150 GLU HB+ 4.40 (# 4064:20 Unique 3.23, 4.25 A)
&rst
ixpk= 4064, nxpk= 20, iat=2439, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2496,2497,
&end
#
# 150 GLU HA 150 GLU HB+ 2.60 (# 4065:20 Unique 2.36, 2.81 A)
&rst
ixpk= 4065, nxpk= 20, iat=2494, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2496,2497,
&end
#
# 150 GLU HA 150 GLU HB- 2.60 (# 4066:20 Unique 2.36, 2.81 A)
&rst
ixpk= 4066, nxpk= 20, iat=2494, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2496,2497,
&end
#
# 151 PHE HD 150 GLU HB- 3.50 (# 4067:20 Unique 3.00, 5.08 A)
&rst
ixpk= 4067, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2515,2523,
igr2=2496,2497,
&end
#
# 0 AMB 20-2:4068 0 AMB 20-1:4068 5.50 (# 4068:20 Double Ambig)
&rst
ixpk= 4068, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1629,2515,2523,
igr2=1187,2496,2497,
&end
#
# 150 GLU HN 150 GLU HB+ 2.60 (# 4070:20 Unique 2.07, 2.74 A)
&rst
ixpk= 4070, nxpk= 20, iat=2492, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2496,2497,
&end
#
# 150 GLU HN 150 GLU HB- 2.60 (# 4071:20 Unique 2.07, 2.74 A)
&rst
ixpk= 4071, nxpk= 20, iat=2492, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2496,2497,
&end
#
# 0 AMB 20-2:4072 0 AMB 20-1:4072 3.50 (# 4072:20 Double Ambig)
&rst
ixpk= 4072, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2492,1151,1152,2627,
igr2=2499,2500,2499,2500,2651,2652,
&end
#
# 0 AMB 20-2:4073 150 GLU HG- 3.50 (# 4073:20 Single Ambig)
&rst
ixpk= 4073, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2492,1151,1152,
igr2=2499,2500,
&end
#
# 151 PHE HD 150 GLU HG+ 4.40 (# 4074:20 Unique 2.56, 6.74 A)
&rst
ixpk= 4074, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2515,2523,
igr2=2499,2500,
&end
#
# 151 PHE HD 150 GLU HG- 4.40 (# 4075:20 Unique 2.56, 6.74 A)
&rst
ixpk= 4075, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2515,2523,
igr2=2499,2500,
&end
#
# 22 VAL HA 22 VAL HB 4.40 (# 4076:20 Unique 2.50, 2.68 A)
&rst
ixpk= 4076, nxpk= 20, iat= 325, 327, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 150 GLU HA 150 GLU HG- 2.60 (# 4077:20 Unique 2.05, 3.07 A)
&rst
ixpk= 4077, nxpk= 20, iat=2494, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2499,2500,
&end
#
# 150 GLU HB+ 150 GLU HG+ 2.60 (# 4078:20 Unique 2.21, 2.60 A)
&rst
ixpk= 4078, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2496,2497,
igr2=2499,2500,
&end
#
# 150 GLU HB+ 150 GLU HG- 2.60 (# 4079:20 Unique 2.21, 2.60 A)
&rst
ixpk= 4079, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2496,2497,
igr2=2499,2500,
&end
#
# 150 GLU HB- 150 GLU HG- 2.60 (# 4080:20 Unique 2.21, 2.60 A)
&rst
ixpk= 4080, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2496,2497,
igr2=2499,2500,
&end
#
# 150 GLU HB- 150 GLU HG+ 2.60 (# 4081:20 Unique 2.21, 2.60 A)
&rst
ixpk= 4081, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2496,2497,
igr2=2499,2500,
&end
#
# 71 THR MG2 150 GLU HG- 3.50 (# 4082:20 Unique 3.19, 5.21 A)
&rst
ixpk= 4082, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1110,1111,1112,
igr2=2499,2500,
&end
#
# 71 THR MG2 150 GLU HG+ 4.40 (# 4083:20 Unique 3.19, 5.21 A)
&rst
ixpk= 4083, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1110,1111,1112,
igr2=2499,2500,
&end
#
# 151 PHE HB- 151 PHE HA 4.40 (# 4084:20 Unique 2.39, 2.75 A)
&rst
ixpk= 4084, nxpk= 20, iat= -1,2509, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2511,2512,
&end
#
# 151 PHE HB+ 151 PHE HA 4.40 (# 4085:20 Unique 2.39, 2.75 A)
&rst
ixpk= 4085, nxpk= 20, iat= -1,2509, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2511,2512,
&end
#
# 151 PHE HD 151 PHE HA 2.60 (# 4086:20 Unique 1.88, 3.31 A)
&rst
ixpk= 4086, nxpk= 20, iat= -1,2509, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2515,2523,
&end
#
# 151 PHE HN 151 PHE HB+ 5.50 (# 4088:20 Unique 2.43, 3.05 A)
&rst
ixpk= 4088, nxpk= 20, iat=2507, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2511,2512,
&end
#
# 151 PHE HN 151 PHE HB- 5.50 (# 4089:20 Unique 2.43, 3.05 A)
&rst
ixpk= 4089, nxpk= 20, iat=2507, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2511,2512,
&end
#
# 151 PHE HD 151 PHE HB- 4.40 (# 4090:20 Unique 2.36, 3.06 A)
&rst
ixpk= 4090, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2515,2523,
igr2=2511,2512,
&end
#
# 151 PHE HD 151 PHE HB+ 3.50 (# 4091:20 Unique 2.36, 3.06 A)
&rst
ixpk= 4091, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2515,2523,
igr2=2511,2512,
&end
#
# 151 PHE HA 151 PHE HB+ 5.50 (# 4092:20 Unique 2.39, 2.75 A)
&rst
ixpk= 4092, nxpk= 20, iat=2509, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2511,2512,
&end
#
# 151 PHE HA 151 PHE HB- 5.50 (# 4093:20 Unique 2.39, 2.75 A)
&rst
ixpk= 4093, nxpk= 20, iat=2509, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2511,2512,
&end
#
# 101 LEU MDY 151 PHE HB- 5.50 (# 4094:20 Unique 1.93, 4.54 A)
&rst
ixpk= 4094, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1674,1675,1676,1678,1679,1680,
igr2=2511,2512,
&end
#
# 101 LEU MDY 151 PHE HB+ 5.50 (# 4095:20 Unique 1.93, 4.54 A)
&rst
ixpk= 4095, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1674,1675,1676,1678,1679,1680,
igr2=2511,2512,
&end
#
# 155 VAL MGX 152 ALA HA 4.40 (# 4096:20 Unique 1.95, 3.85 A)
&rst
ixpk= 4096, nxpk= 20, iat= -1,2529, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=2570,2571,2572,2574,2575,2576,
&end
#
# 155 VAL MGY 152 ALA HA 3.50 (# 4097:20 Unique 1.95, 3.85 A)
&rst
ixpk= 4097, nxpk= 20, iat= -1,2529, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2570,2571,2572,2574,2575,2576,
&end
#
# 0 AMB 20-2:4098 152 ALA HA 2.60 (# 4098:20 Single Ambig)
&rst
ixpk= 4098, nxpk= 20, iat= -1,2529, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2531,2532,2533,2568,
&end
#
# 0 AMB 20-2:4099 152 ALA HA 5.50 (# 4099:20 Single Ambig)
&rst
ixpk= 4099, nxpk= 20, iat= -1,2529, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2587,2588, 237, 238,
&end
#
# 0 AMB 20-2:4100 152 ALA HA 5.50 (# 4100:20 Single Ambig)
&rst
ixpk= 4100, nxpk= 20, iat= -1,2529, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2591,2592,2593,2552,
&end
#
# 129 TYR HD 152 ALA HA 4.40 (# 4102:20 Unique 2.41, 4.31 A)
&rst
ixpk= 4102, nxpk= 20, iat= -1,2529, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2102,2111,
&end
#
# 152 ALA HN 152 ALA HA 3.50 (# 4103:20 Unique 2.76, 2.80 A)
&rst
ixpk= 4103, nxpk= 20, iat=2527,2529, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 153 SER HN 152 ALA HA 5.50 (# 4105:20 Unique 3.41, 3.44 A)
&rst
ixpk= 4105, nxpk= 20, iat=2537,2529, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 130 TRP HE1 152 ALA MB 5.50 (# 4106:20 Unique 2.98, 4.91 A)
&rst
ixpk= 4106, nxpk= 20, iat=2125, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2531,2532,2533,
&end
#
# 153 SER HN 152 ALA MB 3.50 (# 4107:20 Unique 3.05, 3.76 A)
&rst
ixpk= 4107, nxpk= 20, iat=2537, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=2531,2532,2533,
&end
#
# 0 AMB 20-2:4108 152 ALA MB 5.50 (# 4108:20 Single Ambig)
&rst
ixpk= 4108, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=2580,2094,2453,
igr2=2531,2532,2533,
&end
#
# 152 ALA HN 152 ALA MB 2.60 (# 4109:20 Unique 2.10, 2.88 A)
&rst
ixpk= 4109, nxpk= 20, iat=2527, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2=2531,2532,2533,
&end
#
# 130 TRP HH2 152 ALA MB 3.50 (# 4110:20 Unique 4.90, 9.17 A)
&rst
ixpk= 4110, nxpk= 20, iat=2130, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=2531,2532,2533,
&end
#
# 129 TYR HD 152 ALA MB 4.40 (# 4111:20 Unique 1.98, 4.63 A)
&rst
ixpk= 4111, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=2102,2111,
igr2=2531,2532,2533,
&end
#
# 149 LYS HA 152 ALA MB 3.50 (# 4113:20 Unique 2.35, 3.65 A)
&rst
ixpk= 4113, nxpk= 20, iat=2472, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=2531,2532,2533,
&end
#
# 153 SER HA 152 ALA MB 4.40 (# 4114:20 Unique 4.08, 4.89 A)
&rst
ixpk= 4114, nxpk= 20, iat=2539, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=2531,2532,2533,
&end
#
# 0 AMB 20-2:4115 152 ALA MB 4.40 (# 4115:20 Single Ambig)
&rst
ixpk= 4115, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.91, r4= 7.66,
igr1=2541,2542,2415, 301, 302,
igr2=2531,2532,2533,
&end
#
# 152 ALA HA 152 ALA MB 2.60 (# 4116:20 Unique 2.23, 2.63 A)
&rst
ixpk= 4116, nxpk= 20, iat=2529, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2=2531,2532,2533,
&end
#
# 156 MET HG+ 152 ALA MB 5.50 (# 4117:20 Unique 3.89, 5.59 A)
&rst
ixpk= 4117, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2587,2588,
igr2=2531,2532,2533,
&end
#
# 156 MET ME 152 ALA MB 3.50 (# 4118:20 Unique 2.23, 4.32 A)
&rst
ixpk= 4118, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=2591,2592,2593,
igr2=2531,2532,2533,
&end
#
# 0 AMB 20-2:4120 152 ALA MB 4.40 (# 4120:20 Single Ambig)
&rst
ixpk= 4120, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1=2570,2571,2572,2574,2575,2576,2180,2181,2182,2184,
2185,2186,
igr2=2531,2532,2533,
&end
#
# 155 VAL MGX 152 ALA MB 5.50 (# 4121:20 Unique 3.58, 5.89 A)
&rst
ixpk= 4121, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=2570,2571,2572,2574,2575,2576,
igr2=2531,2532,2533,
&end
#
# 0 AMB 20-2:4122 153 SER HA 4.40 (# 4122:20 Single Ambig)
&rst
ixpk= 4122, nxpk= 20, iat= -1,2539, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2531,2532,2533,2568,
&end
#
# 156 MET HB+ 153 SER HA 3.50 (# 4123:20 Unique 3.10, 4.27 A)
&rst
ixpk= 4123, nxpk= 20, iat= -1,2539, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2584,2585,
&end
#
# 156 MET HG+ 153 SER HA 5.50 (# 4124:20 Unique 2.24, 2.96 A)
&rst
ixpk= 4124, nxpk= 20, iat= -1,2539, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2587,2588,
&end
#
# 153 SER HB+ 153 SER HA 2.60 (# 4125:20 Unique 2.29, 2.74 A)
&rst
ixpk= 4125, nxpk= 20, iat= -1,2539, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2541,2542,
&end
#
# 154 VAL HN 153 SER HA 4.40 (# 4127:20 Unique 3.48, 3.52 A)
&rst
ixpk= 4127, nxpk= 20, iat=2548,2539, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 0 AMB 20-2:4128 153 SER HA 5.50 (# 4128:20 Single Ambig)
&rst
ixpk= 4128, nxpk= 20, iat= -1,2539, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2597,2128,
&end
#
# 156 MET HN 153 SER HA 3.50 (# 4129:20 Unique 3.47, 3.70 A)
&rst
ixpk= 4129, nxpk= 20, iat=2580,2539, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 153 SER HN 153 SER HA 3.50 (# 4130:20 Unique 2.79, 2.82 A)
&rst
ixpk= 4130, nxpk= 20, iat=2537,2539, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 153 SER HN 153 SER HB+ 2.60 (# 4131:20 Unique 2.15, 2.64 A)
&rst
ixpk= 4131, nxpk= 20, iat=2537, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2541,2542,
&end
#
# 154 VAL HN 153 SER HB+ 3.50 (# 4132:20 Unique 2.47, 3.32 A)
&rst
ixpk= 4132, nxpk= 20, iat=2548, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2541,2542,
&end
#
# 0 AMB 20-2:4133 0 AMB 20-1:4133 2.60 (# 4133:20 Double Ambig)
&rst
ixpk= 4133, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=2539,2494,
igr2=2541,2542,2541,2542,
&end
#
# 152 ALA HA 153 SER HB+ 5.50 (# 4134:20 Unique 5.50, 5.84 A)
&rst
ixpk= 4134, nxpk= 20, iat=2529, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2541,2542,
&end
#
# 0 AMB 20-2:4135 0 AMB 20-1:4135 4.40 (# 4135:20 Double Ambig)
&rst
ixpk= 4135, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.98, r4= 7.73,
igr1=2584,2585,2474,2475,
igr2=2541,2542,2541,2542,
&end
#
# 0 AMB 20-2:4136 0 AMB 20-1:4136 4.40 (# 4136:20 Double Ambig)
&rst
ixpk= 4136, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.25, r4= 8.00,
igr1=2531,2532,2533,2496,2497,
igr2=2541,2542,2541,2542,
&end
#
# 154 VAL MGY 153 SER HB+ 5.50 (# 4137:20 Unique 3.25, 5.99 A)
&rst
ixpk= 4137, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2554,2555,2556,2558,2559,2560,
igr2=2541,2542,
&end
#
# 101 LEU MDY 154 VAL HA 5.50 (# 4138:20 Unique 4.68, 6.88 A)
&rst
ixpk= 4138, nxpk= 20, iat= -1,2550, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 154 VAL MGY 154 VAL HA 2.60 (# 4139:20 Unique 2.14, 3.14 A)
&rst
ixpk= 4139, nxpk= 20, iat= -1,2550, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2554,2555,2556,2558,2559,2560,
&end
#
# 154 VAL MGX 154 VAL HA 2.60 (# 4140:20 Unique 2.14, 3.14 A)
&rst
ixpk= 4140, nxpk= 20, iat= -1,2550, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2554,2555,2556,2558,2559,2560,
&end
#
# 154 VAL HB 154 VAL HA 3.50 (# 4141:20 Unique 2.55, 2.97 A)
&rst
ixpk= 4141, nxpk= 20, iat=2552,2550, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 157 SER HB+ 154 VAL HA 3.50 (# 4142:20 Unique 3.19, 4.27 A)
&rst
ixpk= 4142, nxpk= 20, iat= -1,2550, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2601,2602,
&end
#
# 153 SER HA 154 VAL HA 5.50 (# 4143:20 Unique 4.73, 4.76 A)
&rst
ixpk= 4143, nxpk= 20, iat=2539,2550, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 154 VAL HN 154 VAL HA 3.50 (# 4145:20 Unique 2.81, 2.84 A)
&rst
ixpk= 4145, nxpk= 20, iat=2548,2550, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 155 VAL HN 154 VAL HA 3.50 (# 4146:20 Unique 3.51, 3.53 A)
&rst
ixpk= 4146, nxpk= 20, iat=2564,2550, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:4147 154 VAL HB 4.40 (# 4147:20 Single Ambig)
&rst
ixpk= 4147, nxpk= 20, iat= -1,2552, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr1=2612,2613,2568,
&end
#
# 0 AMB 20-2:4148 154 VAL HB 5.50 (# 4148:20 Single Ambig)
&rst
ixpk= 4148, nxpk= 20, iat= -1,2552, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1087,1088,1089,1068,1069,
&end
#
# 0 AMB 20-2:4150 0 AMB 20-1:4150 5.50 (# 4150:20 Double Ambig)
&rst
ixpk= 4150, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=2372,2373, 237, 238,
igr2=2180,2181,2182,2184,2185,2186,2554,2555,2556,2558,
2559,2560,
&end
#
# 154 VAL HN 154 VAL MGY 2.60 (# 4151:20 Unique 1.76, 3.61 A)
&rst
ixpk= 4151, nxpk= 20, iat=2548, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2554,2555,2556,2558,2559,2560,
&end
#
# 154 VAL HB 154 VAL MGY 2.60 (# 4152:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4152, nxpk= 20, iat=2552, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2554,2555,2556,2558,2559,2560,
&end
#
# 101 LEU MDY 154 VAL MGY 2.60 (# 4154:20 Unique 1.99, 5.19 A)
&rst
ixpk= 4154, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1674,1675,1676,1678,1679,1680,
igr2=2554,2555,2556,2558,2559,2560,
&end
#
# 0 AMB 20-2:4155 155 VAL HA 2.60 (# 4155:20 Single Ambig)
&rst
ixpk= 4155, nxpk= 20, iat= -1,2566, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2570,2571,2572,2574,2575,2576,2617,2618,2619,2621,
2622,2623,
&end
#
# 0 AMB 20-2:4156 155 VAL HA 2.60 (# 4156:20 Single Ambig)
&rst
ixpk= 4156, nxpk= 20, iat= -1,2566, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2570,2571,2572,2574,2575,2576,2554,2555,2556,2558,
2559,2560,
&end
#
# 0 AMB 20-2:4157 155 VAL HA 3.50 (# 4157:20 Single Ambig)
&rst
ixpk= 4157, nxpk= 20, iat= -1,2566, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=2612,2613,2568,
&end
#
# 158 LEU HB+ 155 VAL HA 3.50 (# 4158:20 Unique 1.90, 2.49 A)
&rst
ixpk= 4158, nxpk= 20, iat= -1,2566, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2612,2613,
&end
#
# 0 AMB 20-2:4159 155 VAL HA 4.40 (# 4159:20 Single Ambig)
&rst
ixpk= 4159, nxpk= 20, iat= -1,2566, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr1=2552,2648,2649,
&end
#
# 0 AMB 20-2:4160 155 VAL HA 5.50 (# 4160:20 Single Ambig)
&rst
ixpk= 4160, nxpk= 20, iat= -1,2566, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2610,2582,
&end
#
# 155 VAL HN 155 VAL HA 3.50 (# 4161:20 Unique 2.76, 2.78 A)
&rst
ixpk= 4161, nxpk= 20, iat=2564,2566, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 156 MET HN 155 VAL HA 4.40 (# 4162:20 Unique 3.51, 3.52 A)
&rst
ixpk= 4162, nxpk= 20, iat=2580,2566, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 0 AMB 20-2:4165 155 VAL HB 5.50 (# 4165:20 Single Ambig)
&rst
ixpk= 4165, nxpk= 20, iat= -1,2568, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2582,2610,
&end
#
# 0 AMB 20-2:4167 0 AMB 20-1:4167 2.60 (# 4167:20 Double Ambig)
&rst
ixpk= 4167, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.96, r4= 5.71,
igr1= 832,2568,2612,2613,
igr2= 900, 901, 902, 904, 905, 906,2570,2571,2572,2574,
2575,2576,
&end
#
# 0 AMB 20-2:4168 0 AMB 20-1:4168 3.50 (# 4168:20 Double Ambig)
&rst
ixpk= 4168, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.49, r4= 8.24,
igr1=2552, 829, 830, 313, 314,1009, 817, 818,
igr2=2570,2571,2572,2574,2575,2576, 900, 901, 902, 904,
905, 906,
&end
#
# 0 AMB 20-2:4169 155 VAL MGX 3.50 (# 4169:20 Single Ambig)
&rst
ixpk= 4169, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2098,2099, 237, 238,
igr2=2570,2571,2572,2574,2575,2576,
&end
#
# 129 TYR HD 155 VAL MGX 3.50 (# 4171:20 Unique 2.28, 5.07 A)
&rst
ixpk= 4171, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2102,2111,
igr2=2570,2571,2572,2574,2575,2576,
&end
#
# 104 LEU HN 104 LEU MDX 4.40 (# 4172:20 Unique 3.59, 4.96 A)
&rst
ixpk= 4172, nxpk= 20, iat=1720, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1729,1730,1731,1733,1734,1735,
&end
#
# 156 MET HN 155 VAL MGY 3.50 (# 4173:20 Unique 2.02, 4.37 A)
&rst
ixpk= 4173, nxpk= 20, iat=2580, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2570,2571,2572,2574,2575,2576,
&end
#
# 155 VAL HN 155 VAL MGY 2.60 (# 4174:20 Unique 1.87, 3.49 A)
&rst
ixpk= 4174, nxpk= 20, iat=2564, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2570,2571,2572,2574,2575,2576,
&end
#
# 0 AMB 20-2:4175 155 VAL MGY 5.50 (# 4175:20 Single Ambig)
&rst
ixpk= 4175, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=2587,2588, 237, 238,
igr2=2570,2571,2572,2574,2575,2576,
&end
#
# 0 AMB 20-2:4176 155 VAL MGY 2.60 (# 4176:20 Single Ambig)
&rst
ixpk= 4176, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2568,2612,2613,2531,2532,2533,
igr2=2570,2571,2572,2574,2575,2576,
&end
#
# 0 AMB 20-2:4177 0 AMB 20-1:4177 2.60 (# 4177:20 Double Ambig)
&rst
ixpk= 4177, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.96, r4= 5.71,
igr1=2612,2613,2615, 218,
igr2=2570,2571,2572,2574,2575,2576,1729,1730,1731,1733,
1734,1735,
&end
#
# 0 AMB 20-2:4178 0 AMB 20-1:4178 3.50 (# 4178:20 Double Ambig)
&rst
ixpk= 4178, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1009,2552,
igr2=1729,1730,1731,1733,1734,1735,2570,2571,2572,2574,
2575,2576,
&end
#
# 155 VAL HA 156 MET HA 5.50 (# 4180:20 Unique 4.79, 4.83 A)
&rst
ixpk= 4180, nxpk= 20, iat=2566,2582, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:4181 156 MET HA 3.50 (# 4181:20 Single Ambig)
&rst
ixpk= 4181, nxpk= 20, iat= -1,2582, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2597,2627,
&end
#
# 158 LEU HN 156 MET HA 4.40 (# 4182:20 Unique 3.69, 3.90 A)
&rst
ixpk= 4182, nxpk= 20, iat=2608,2582, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 156 MET HN 156 MET HA 2.60 (# 4184:20 Unique 2.77, 2.79 A)
&rst
ixpk= 4184, nxpk= 20, iat=2580,2582, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 156 MET HG- 156 MET HB+ 2.60 (# 4185:20 Unique 2.37, 2.57 A)
&rst
ixpk= 4185, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2587,2588,
igr2=2584,2585,
&end
#
# 156 MET HG+ 156 MET HB+ 2.60 (# 4186:20 Unique 2.37, 2.57 A)
&rst
ixpk= 4186, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2587,2588,
igr2=2584,2585,
&end
#
# 156 MET HA 156 MET HB+ 2.60 (# 4187:20 Unique 2.39, 2.73 A)
&rst
ixpk= 4187, nxpk= 20, iat=2582, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2584,2585,
&end
#
# 156 MET HN 156 MET HB+ 2.60 (# 4188:20 Unique 2.53, 3.09 A)
&rst
ixpk= 4188, nxpk= 20, iat=2580, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2584,2585,
&end
#
# 155 VAL MGX 156 MET HG- 5.50 (# 4191:20 Unique 2.53, 6.27 A)
&rst
ixpk= 4191, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2570,2571,2572,2574,2575,2576,
igr2=2587,2588,
&end
#
# 119 PRO HG- 119 PRO HB- 3.50 (# 4192:20 Unique 2.32, 2.58 A)
&rst
ixpk= 4192, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1931,1932,
igr2=1934,1935,
&end
#
# 119 PRO HG+ 119 PRO HB- 2.60 (# 4193:20 Unique 2.32, 2.58 A)
&rst
ixpk= 4193, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1931,1932,
igr2=1934,1935,
&end
#
# 0 AMB 20-2:4195 0 AMB 20-1:4195 4.40 (# 4195:20 Double Ambig)
&rst
ixpk= 4195, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.98, r4= 7.73,
igr1= 442, 443,2663,2664,
igr2=1934,1935,2587,2588,
&end
#
# 119 PRO HD+ 119 PRO HB- 4.40 (# 4196:20 Unique 2.98, 3.70 A)
&rst
ixpk= 4196, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1928,1929,
igr2=1934,1935,
&end
#
# 156 MET HA 156 MET HG- 3.50 (# 4197:20 Unique 3.10, 3.48 A)
&rst
ixpk= 4197, nxpk= 20, iat=2582, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2587,2588,
&end
#
# 119 PRO HA 119 PRO HB- 2.60 (# 4198:20 Unique 2.30, 2.51 A)
&rst
ixpk= 4198, nxpk= 20, iat=1937, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1934,1935,
&end
#
# 114 GLN HA 119 PRO HB- 4.40 (# 4200:20 Unique 2.32, 4.01 A)
&rst
ixpk= 4200, nxpk= 20, iat=1862, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1934,1935,
&end
#
# 28 PHE HD 119 PRO HB- 5.50 (# 4201:20 Unique 6.55, 7.56 A)
&rst
ixpk= 4201, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 446, 454,
igr2=1934,1935,
&end
#
# 0 AMB 20-2:4202 156 MET HG- 5.50 (# 4202:20 Single Ambig)
&rst
ixpk= 4202, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2548,2608,
igr2=2587,2588,
&end
#
# 0 AMB 20-2:4203 0 AMB 20-1:4203 5.50 (# 4203:20 Double Ambig)
&rst
ixpk= 4203, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=2548, 282,2608,
igr2=2587,2588, 237, 238,2587,2588,
&end
#
# 0 AMB 20-2:4204 156 MET HG- 5.50 (# 4204:20 Single Ambig)
&rst
ixpk= 4204, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2597,2527,2627,
igr2=2587,2588,
&end
#
# 156 MET HN 156 MET HG- 2.60 (# 4205:20 Unique 1.95, 2.82 A)
&rst
ixpk= 4205, nxpk= 20, iat=2580, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2587,2588,
&end
#
# 157 SER HB+ 157 SER HA 2.60 (# 4206:20 Unique 2.40, 2.78 A)
&rst
ixpk= 4206, nxpk= 20, iat= -1,2599, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2601,2602,
&end
#
# 160 GLU HG+ 157 SER HA 4.40 (# 4208:20 Unique 1.93, 4.54 A)
&rst
ixpk= 4208, nxpk= 20, iat= -1,2599, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2651,2652,
&end
#
# 0 AMB 20-2:4209 0 AMB 20-1:4209 4.40 (# 4209:20 Double Ambig)
&rst
ixpk= 4209, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=2580,2659,
igr2=2601,2602,2601,2602,
&end
#
# 157 SER HA 157 SER HB+ 2.60 (# 4211:20 Unique 2.40, 2.78 A)
&rst
ixpk= 4211, nxpk= 20, iat=2599, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2601,2602,
&end
#
# 154 VAL HA 157 SER HB+ 3.50 (# 4212:20 Unique 3.19, 4.27 A)
&rst
ixpk= 4212, nxpk= 20, iat=2550, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2601,2602,
&end
#
# 0 AMB 20-2:4213 0 AMB 20-1:4213 4.40 (# 4213:20 Double Ambig)
&rst
ixpk= 4213, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2612,2613,2615,
igr2=2601,2602,2601,2602,
&end
#
# 0 AMB 20-2:4214 0 AMB 20-1:4214 4.40 (# 4214:20 Double Ambig)
&rst
ixpk= 4214, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1=1919,1920,1921,2554,2555,2556,2558,2559,2560,
igr2=1906,1907,2601,2602,
&end
#
# 22 VAL MGY 148 MET HA 4.40 (# 4215:20 Unique 5.31, 7.40 A)
&rst
ixpk= 4215, nxpk= 20, iat= -1,2455, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 0 AMB 20-2:4216 134 ARG HA 4.40 (# 4216:20 Single Ambig)
&rst
ixpk= 4216, nxpk= 20, iat= -1,2192, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2180,2181,2182,2184,2185,2186,2180,2181,2182,2184,
2185,2186,
&end
#
# 158 LEU HB- 158 LEU HA 2.60 (# 4217:20 Unique 2.26, 2.65 A)
&rst
ixpk= 4217, nxpk= 20, iat= -1,2610, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2612,2613,
&end
#
# 0 AMB 20-2:4218 158 LEU HA 2.60 (# 4218:20 Single Ambig)
&rst
ixpk= 4218, nxpk= 20, iat= -1,2610, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr1=2612,2613,2615,
&end
#
# 134 ARG HD+ 134 ARG HA 4.40 (# 4219:20 Unique 2.10, 3.13 A)
&rst
ixpk= 4219, nxpk= 20, iat= -1,2192, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2200,2201,
&end
#
# 155 VAL HA 158 LEU HA 5.50 (# 4220:20 Unique 4.62, 4.76 A)
&rst
ixpk= 4220, nxpk= 20, iat=2566,2610, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 158 LEU HN 158 LEU HA 3.50 (# 4221:20 Unique 2.94, 2.94 A)
&rst
ixpk= 4221, nxpk= 20, iat=2608,2610, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:4222 158 LEU HA 3.50 (# 4222:20 Single Ambig)
&rst
ixpk= 4222, nxpk= 20, iat= -1,2610, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2627,2597,
&end
#
# 158 LEU HN 158 LEU HB- 3.50 (# 4225:20 Unique 2.29, 2.82 A)
&rst
ixpk= 4225, nxpk= 20, iat=2608, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2612,2613,
&end
#
# 159 GLN HN 158 LEU HB- 3.50 (# 4226:20 Unique 2.05, 3.03 A)
&rst
ixpk= 4226, nxpk= 20, iat=2627, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2612,2613,
&end
#
# 159 GLN HN 158 LEU HB+ 3.50 (# 4227:20 Unique 2.05, 3.03 A)
&rst
ixpk= 4227, nxpk= 20, iat=2627, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2612,2613,
&end
#
# 158 LEU HN 158 LEU HB+ 2.60 (# 4228:20 Unique 2.29, 2.82 A)
&rst
ixpk= 4228, nxpk= 20, iat=2608, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2612,2613,
&end
#
# 158 LEU HA 158 LEU HB- 2.60 (# 4229:20 Unique 2.26, 2.65 A)
&rst
ixpk= 4229, nxpk= 20, iat=2610, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2612,2613,
&end
#
# 158 LEU HA 158 LEU HB+ 3.50 (# 4230:20 Unique 2.26, 2.65 A)
&rst
ixpk= 4230, nxpk= 20, iat=2610, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2612,2613,
&end
#
# 18 ARG HA 158 LEU HB- 5.50 (# 4232:20 Unique 4.84, 5.27 A)
&rst
ixpk= 4232, nxpk= 20, iat= 260, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2612,2613,
&end
#
# 155 VAL HA 158 LEU HB- 5.50 (# 4233:20 Unique 1.90, 2.49 A)
&rst
ixpk= 4233, nxpk= 20, iat=2566, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2612,2613,
&end
#
# 155 VAL HA 158 LEU HB+ 4.40 (# 4234:20 Unique 1.90, 2.49 A)
&rst
ixpk= 4234, nxpk= 20, iat=2566, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2612,2613,
&end
#
# 0 AMB 20-2:4236 0 AMB 20-1:4236 2.60 (# 4236:20 Double Ambig)
&rst
ixpk= 4236, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2617,2618,2619,2621,2622,2623,2554,2555,2556,2558,
2559,2560,2570,2571,2572,2574,2575,2576,
igr2=2612,2613,2612,2613,2612,2613,
&end
#
# 0 AMB 20-2:4237 158 LEU HB- 2.60 (# 4237:20 Single Ambig)
&rst
ixpk= 4237, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=2617,2618,2619,2621,2622,2623,2570,2571,2572,2574,
2575,2576,
igr2=2612,2613,
&end
#
# 0 AMB 20-2:4238 158 LEU HG 2.60 (# 4238:20 Single Ambig)
&rst
ixpk= 4238, nxpk= 20, iat= -1,2615, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2617,2618,2619,2621,2622,2623,2570,2571,2572,2574,
2575,2576,
&end
#
# 0 AMB 20-2:4239 158 LEU HG 3.50 (# 4239:20 Single Ambig)
&rst
ixpk= 4239, nxpk= 20, iat= -1,2615, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2570,2571,2572,2574,2575,2576,1073,1074,1075,1077,
1078,1079,
&end
#
# 158 LEU HB- 158 LEU HG 2.60 (# 4240:20 Unique 2.37, 2.71 A)
&rst
ixpk= 4240, nxpk= 20, iat= -1,2615, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2612,2613,
&end
#
# 155 VAL HA 158 LEU HG 4.40 (# 4241:20 Unique 3.51, 3.86 A)
&rst
ixpk= 4241, nxpk= 20, iat=2566,2615, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 158 LEU HA 158 LEU HG 3.50 (# 4242:20 Unique 3.42, 3.50 A)
&rst
ixpk= 4242, nxpk= 20, iat=2610,2615, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:4243 158 LEU HG 4.40 (# 4243:20 Single Ambig)
&rst
ixpk= 4243, nxpk= 20, iat= -1,2615, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2608, 282,
&end
#
# 159 GLN HN 158 LEU HG 5.50 (# 4244:20 Unique 2.48, 2.56 A)
&rst
ixpk= 4244, nxpk= 20, iat=2627,2615, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:4245 158 LEU MDX 5.50 (# 4245:20 Single Ambig)
&rst
ixpk= 4245, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1703, 323,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 20 GLY HN 158 LEU MDX 5.50 (# 4246:20 Unique 2.85, 4.98 A)
&rst
ixpk= 4246, nxpk= 20, iat= 299, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 0 AMB 20-2:4247 158 LEU MDX 3.50 (# 4247:20 Single Ambig)
&rst
ixpk= 4247, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 282,2608,2548,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 0 AMB 20-2:4248 158 LEU MDX 4.40 (# 4248:20 Single Ambig)
&rst
ixpk= 4248, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1=2627,2668,2669,2597,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 103 GLN HE2+ 158 LEU MDX 4.40 (# 4249:20 Unique 1.93, 3.51 A)
&rst
ixpk= 4249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1715,1716,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 103 GLN HE2- 158 LEU MDX 4.40 (# 4250:20 Unique 1.93, 3.51 A)
&rst
ixpk= 4250, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1715,1716,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 103 GLN HA 158 LEU MDX 5.50 (# 4251:20 Unique 4.26, 6.04 A)
&rst
ixpk= 4251, nxpk= 20, iat=1705, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 158 LEU HA 158 LEU MDX 3.50 (# 4253:20 Unique 2.10, 3.92 A)
&rst
ixpk= 4253, nxpk= 20, iat=2610, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 18 ARG HA 158 LEU MDX 3.50 (# 4254:20 Unique 2.07, 3.59 A)
&rst
ixpk= 4254, nxpk= 20, iat= 260, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 155 VAL HA 158 LEU MDX 3.50 (# 4255:20 Unique 2.66, 4.52 A)
&rst
ixpk= 4255, nxpk= 20, iat=2566, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 18 ARG HD+ 158 LEU MDX 5.50 (# 4256:20 Unique 1.96, 5.45 A)
&rst
ixpk= 4256, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 268, 269,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 0 AMB 20-2:4257 158 LEU MDX 3.50 (# 4257:20 Single Ambig)
&rst
ixpk= 4257, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1710,1711,2631,2632,2691,2692,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 0 AMB 20-2:4258 158 LEU MDX 2.60 (# 4258:20 Single Ambig)
&rst
ixpk= 4258, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=2612,2613,2615,1707,1708,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 158 LEU HB- 158 LEU MDX 2.60 (# 4259:20 Unique 2.20, 3.30 A)
&rst
ixpk= 4259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2612,2613,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 158 LEU HB- 158 LEU MDY 2.60 (# 4263:20 Unique 2.20, 3.30 A)
&rst
ixpk= 4263, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2612,2613,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 0 AMB 20-2:4264 158 LEU MDY 2.60 (# 4264:20 Single Ambig)
&rst
ixpk= 4264, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=2612,2613,2615,1707,1708,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 0 AMB 20-2:4265 158 LEU MDY 3.50 (# 4265:20 Single Ambig)
&rst
ixpk= 4265, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1710,1711,2631,2632,2691,2692,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 0 AMB 20-2:4266 158 LEU MDY 5.50 (# 4266:20 Single Ambig)
&rst
ixpk= 4266, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=2634,2635,2634,2635,2651,2652,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 18 ARG HD+ 158 LEU MDY 4.40 (# 4267:20 Unique 1.96, 5.45 A)
&rst
ixpk= 4267, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 268, 269,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 155 VAL HA 158 LEU MDY 3.50 (# 4268:20 Unique 2.66, 4.52 A)
&rst
ixpk= 4268, nxpk= 20, iat=2566, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 158 LEU HA 158 LEU MDY 2.60 (# 4269:20 Unique 2.10, 3.92 A)
&rst
ixpk= 4269, nxpk= 20, iat=2610, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 18 ARG HA 158 LEU MDY 3.50 (# 4270:20 Unique 2.07, 3.59 A)
&rst
ixpk= 4270, nxpk= 20, iat= 260, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 0 AMB 20-2:4271 158 LEU MDY 4.40 (# 4271:20 Single Ambig)
&rst
ixpk= 4271, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1=2697, 284,1066,1741,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 103 GLN HE2- 158 LEU MDY 3.50 (# 4273:20 Unique 1.93, 3.51 A)
&rst
ixpk= 4273, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1715,1716,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 103 GLN HE2+ 158 LEU MDY 4.40 (# 4274:20 Unique 1.93, 3.51 A)
&rst
ixpk= 4274, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1715,1716,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 0 AMB 20-2:4275 158 LEU MDY 3.50 (# 4275:20 Single Ambig)
&rst
ixpk= 4275, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 282,2608,2548,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 0 AMB 20-2:4276 158 LEU MDY 3.50 (# 4276:20 Single Ambig)
&rst
ixpk= 4276, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2627,2668,2669,2597,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 0 AMB 20-2:4277 158 LEU MDY 5.50 (# 4277:20 Single Ambig)
&rst
ixpk= 4277, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 258,2644,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 0 AMB 20-2:4279 0 AMB 20-1:4279 5.50 (# 4279:20 Double Ambig)
&rst
ixpk= 4279, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 271, 294, 295,2639,2640,
igr2=2629,2610,
&end
#
# 151 PHE HD 148 MET HA 5.50 (# 4280:20 Unique 2.28, 4.15 A)
&rst
ixpk= 4280, nxpk= 20, iat= -1,2455, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2515,2523,
&end
#
# 0 AMB 20-2:4281 0 AMB 20-1:4281 5.50 (# 4281:20 Double Ambig)
&rst
ixpk= 4281, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 294, 295,2639,2640,
igr2=2629,2646,
&end
#
# 0 AMB 20-2:4282 0 AMB 20-1:4282 2.60 (# 4282:20 Double Ambig)
&rst
ixpk= 4282, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=2631,2632,2648,2649,
igr2=2629,2646,
&end
#
# 158 LEU MDY 158 LEU HA 2.60 (# 4283:20 Unique 2.10, 3.92 A)
&rst
ixpk= 4283, nxpk= 20, iat= -1,2610, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2617,2618,2619,2621,2622,2623,
&end
#
# 0 AMB 20-2:4284 0 AMB 20-1:4284 2.60 (# 4284:20 Double Ambig)
&rst
ixpk= 4284, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2634,2635,2634,2635,
igr2=2631,2632,2631,2632,
&end
#
# 0 AMB 20-2:4285 159 GLN HB- 2.60 (# 4285:20 Single Ambig)
&rst
ixpk= 4285, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=2634,2635,2634,2635,
igr2=2631,2632,
&end
#
# 159 GLN HA 159 GLN HB- 2.60 (# 4286:20 Unique 2.29, 2.46 A)
&rst
ixpk= 4286, nxpk= 20, iat=2629, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2631,2632,
&end
#
# 19 GLN HA 159 GLN HB+ 4.40 (# 4287:20 Unique 2.14, 3.18 A)
&rst
ixpk= 4287, nxpk= 20, iat= 284, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2631,2632,
&end
#
# 0 AMB 20-2:4289 0 AMB 20-1:4289 4.40 (# 4289:20 Double Ambig)
&rst
ixpk= 4289, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.98, r4= 7.73,
igr1=2639,2640, 294, 295,
igr2=2631,2632,2631,2632,
&end
#
# 159 GLN HN 159 GLN HB+ 3.50 (# 4290:20 Unique 2.32, 2.99 A)
&rst
ixpk= 4290, nxpk= 20, iat=2627, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2631,2632,
&end
#
# 159 GLN HN 159 GLN HB- 3.50 (# 4291:20 Unique 2.32, 2.99 A)
&rst
ixpk= 4291, nxpk= 20, iat=2627, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2631,2632,
&end
#
# 0 AMB 20-2:4292 0 AMB 20-1:4292 3.50 (# 4292:20 Double Ambig)
&rst
ixpk= 4292, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2644, 258,
igr2=2631,2632,2631,2632,
&end
#
# 0 AMB 20-2:4293 159 GLN HB- 3.50 (# 4293:20 Single Ambig)
&rst
ixpk= 4293, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2644, 258,
igr2=2631,2632,
&end
#
# 20 GLY HN 159 GLN HB- 5.50 (# 4294:20 Unique 2.95, 3.65 A)
&rst
ixpk= 4294, nxpk= 20, iat= 299, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2631,2632,
&end
#
# 13 ILE HN 57 GLU HG+ 5.50 (# 4295:20 Unique 4.14, 6.06 A)
&rst
ixpk= 4295, nxpk= 20, iat= 179, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 886, 887,
&end
#
# 159 GLN HE2+ 159 GLN HG- 2.60 (# 4296:20 Unique 2.16, 3.27 A)
&rst
ixpk= 4296, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2639,2640,
igr2=2634,2635,
&end
#
# 159 GLN HN 0 AMB 20-1:4297 2.60 (# 4297:20 Single Ambig)
&rst
ixpk= 4297, nxpk= 20, iat=2627, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr2=2634,2635,2634,2635,
&end
#
# 159 GLN HE2- 0 AMB 20-1:4298 3.50 (# 4298:20 Single Ambig)
&rst
ixpk= 4298, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2639,2640,
igr2=2634,2635,2634,2635,
&end
#
# 103 GLN HE2- 0 AMB 20-1:4299 4.40 (# 4299:20 Single Ambig)
&rst
ixpk= 4299, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1715,1716,
igr2=2634,2635,2634,2635,
&end
#
# 160 GLU HB- 160 GLU HA 2.60 (# 4301:20 Unique 2.35, 2.74 A)
&rst
ixpk= 4301, nxpk= 20, iat= -1,2646, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2648,2649,
&end
#
# 0 AMB 20-2:4302 160 GLU HA 2.60 (# 4302:20 Single Ambig)
&rst
ixpk= 4302, nxpk= 20, iat= -1,2646, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2651,2652,2634,2635,
&end
#
# 24 TRP HN 23 MET HA 3.50 (# 4303:20 Unique 2.14, 2.22 A)
&rst
ixpk= 4303, nxpk= 20, iat= 356, 341, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 161 ASN HD2+ 160 GLU HB+ 3.85 (# 4304:20 Unique 2.23, 3.83 A)
&rst
ixpk= 4304, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
igr1=2668,2669,
igr2=2648,2649,
&end
#
# 0 AMB 20-2:4305 0 AMB 20-1:4305 4.40 (# 4305:20 Double Ambig)
&rst
ixpk= 4305, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1=2711,2712, 265, 266,1945,1946,
igr2=2648,2649,2648,2649, 868, 869,
&end
#
# 160 GLU HB- 160 GLU HG+ 2.60 (# 4307:20 Unique 2.21, 2.70 A)
&rst
ixpk= 4307, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2648,2649,
igr2=2651,2652,
&end
#
# 160 GLU HB+ 160 GLU HG+ 2.60 (# 4308:20 Unique 2.21, 2.70 A)
&rst
ixpk= 4308, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2648,2649,
igr2=2651,2652,
&end
#
# 160 GLU HA 160 GLU HG+ 2.60 (# 4309:20 Unique 2.25, 2.99 A)
&rst
ixpk= 4309, nxpk= 20, iat=2646, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2651,2652,
&end
#
# 0 AMB 20-2:4310 0 AMB 20-1:4310 4.40 (# 4310:20 Double Ambig)
&rst
ixpk= 4310, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=2627,2597,
igr2=2651,2652,2651,2652,
&end
#
# 160 GLU HN 160 GLU HG+ 2.60 (# 4311:20 Unique 2.22, 3.06 A)
&rst
ixpk= 4311, nxpk= 20, iat=2644, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2651,2652,
&end
#
# 161 ASN HN 160 GLU HG+ 4.40 (# 4312:20 Unique 2.27, 4.45 A)
&rst
ixpk= 4312, nxpk= 20, iat=2659, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2651,2652,
&end
#
# 162 THR MG2 161 ASN HB- 5.50 (# 4317:20 Unique 3.87, 5.48 A)
&rst
ixpk= 4317, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2679,2680,2681,
igr2=2663,2664,
&end
#
# 0 AMB 20-2:4318 161 ASN HB- 5.50 (# 4318:20 Single Ambig)
&rst
ixpk= 4318, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2648,2649,2631,2632,2584,2585,
igr2=2663,2664,
&end
#
# 0 AMB 20-2:4319 0 AMB 20-1:4319 5.50 (# 4319:20 Double Ambig)
&rst
ixpk= 4319, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=2648,2649,2631,2632,2584,2585,
igr2=2663,2664,2663,2664,2663,2664,
&end
#
# 162 THR HN 162 THR HA 3.50 (# 4323:20 Unique 2.28, 2.87 A)
&rst
ixpk= 4323, nxpk= 20, iat=2673,2675, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 161 ASN HN 162 THR HA 5.50 (# 4324:20 Unique 4.61, 5.00 A)
&rst
ixpk= 4324, nxpk= 20, iat=2659,2675, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 162 THR HB 162 THR HA 2.60 (# 4325:20 Unique 2.53, 2.63 A)
&rst
ixpk= 4325, nxpk= 20, iat=2677,2675, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 163 PRO HD+ 162 THR HA 2.60 (# 4326:20 Unique 2.32, 2.40 A)
&rst
ixpk= 4326, nxpk= 20, iat= -1,2675, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2688,2689,
&end
#
# 163 PRO HD- 162 THR HA 2.60 (# 4327:20 Unique 2.32, 2.40 A)
&rst
ixpk= 4327, nxpk= 20, iat= -1,2675, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2688,2689,
&end
#
# 161 ASN HB- 162 THR HA 5.50 (# 4329:20 Unique 4.37, 4.73 A)
&rst
ixpk= 4329, nxpk= 20, iat= -1,2675, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2663,2664,
&end
#
# 0 AMB 20-2:4330 162 THR HA 4.40 (# 4330:20 Single Ambig)
&rst
ixpk= 4330, nxpk= 20, iat= -1,2675, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2691,2692,2631,2632,
&end
#
# 0 AMB 20-2:4331 162 THR HA 5.50 (# 4331:20 Single Ambig)
&rst
ixpk= 4331, nxpk= 20, iat= -1,2675, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2694,2695,2651,2652,
&end
#
# 162 THR MG2 162 THR HA 3.50 (# 4332:20 Unique 2.07, 2.90 A)
&rst
ixpk= 4332, nxpk= 20, iat= -1,2675, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=2679,2680,2681,
&end
#
# 162 THR MG2 162 THR HB 2.60 (# 4333:20 Unique 2.23, 2.64 A)
&rst
ixpk= 4333, nxpk= 20, iat= -1,2677, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr1=2679,2680,2681,
&end
#
# 163 PRO HD- 162 THR HB 4.40 (# 4335:20 Unique 1.89, 2.71 A)
&rst
ixpk= 4335, nxpk= 20, iat= -1,2677, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2688,2689,
&end
#
# 163 PRO HD+ 162 THR HB 4.40 (# 4336:20 Unique 1.89, 2.71 A)
&rst
ixpk= 4336, nxpk= 20, iat= -1,2677, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2688,2689,
&end
#
# 162 THR HA 162 THR HB 3.50 (# 4337:20 Unique 2.53, 2.63 A)
&rst
ixpk= 4337, nxpk= 20, iat=2675,2677, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:4340 162 THR HB 3.50 (# 4340:20 Single Ambig)
&rst
ixpk= 4340, nxpk= 20, iat= -1,2677, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2673,2701,
&end
#
# 162 THR HN 162 THR MG2 4.40 (# 4341:20 Unique 2.75, 3.94 A)
&rst
ixpk= 4341, nxpk= 20, iat=2673, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=2679,2680,2681,
&end
#
# 0 AMB 20-2:4342 162 THR MG2 4.40 (# 4342:20 Single Ambig)
&rst
ixpk= 4342, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=2659, 299,
igr2=2679,2680,2681,
&end
#
# 0 AMB 20-2:4345 162 THR MG2 5.50 (# 4345:20 Single Ambig)
&rst
ixpk= 4345, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=2627,2668,2669,
igr2=2679,2680,2681,
&end
#
# 162 THR HA 162 THR MG2 3.50 (# 4347:20 Unique 2.07, 2.90 A)
&rst
ixpk= 4347, nxpk= 20, iat=2675, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=2679,2680,2681,
&end
#
# 0 AMB 20-2:4348 162 THR MG2 5.50 (# 4348:20 Single Ambig)
&rst
ixpk= 4348, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2697,1741,
igr2=2679,2680,2681,
&end
#
# 162 THR HB 162 THR MG2 2.60 (# 4349:20 Unique 2.23, 2.64 A)
&rst
ixpk= 4349, nxpk= 20, iat=2677, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2=2679,2680,2681,
&end
#
# 163 PRO HD+ 162 THR MG2 4.40 (# 4350:20 Unique 2.35, 3.81 A)
&rst
ixpk= 4350, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=2688,2689,
igr2=2679,2680,2681,
&end
#
# 163 PRO HD- 162 THR MG2 4.40 (# 4351:20 Unique 2.35, 3.81 A)
&rst
ixpk= 4351, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=2688,2689,
igr2=2679,2680,2681,
&end
#
# 161 ASN HB+ 162 THR MG2 4.40 (# 4352:20 Unique 3.87, 5.48 A)
&rst
ixpk= 4352, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=2663,2664,
igr2=2679,2680,2681,
&end
#
# 163 PRO HB- 163 PRO HA 2.60 (# 4353:20 Unique 2.30, 2.51 A)
&rst
ixpk= 4353, nxpk= 20, iat= -1,2697, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2694,2695,
&end
#
# 163 PRO HB+ 163 PRO HA 2.60 (# 4354:20 Unique 2.30, 2.51 A)
&rst
ixpk= 4354, nxpk= 20, iat= -1,2697, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2694,2695,
&end
#
# 163 PRO HD+ 163 PRO HA 4.40 (# 4355:20 Unique 3.60, 3.85 A)
&rst
ixpk= 4355, nxpk= 20, iat= -1,2697, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2688,2689,
&end
#
# 164 LYS HN 163 PRO HA 2.80 (# 4358:20 Unique 2.16, 2.43 A)
&rst
ixpk= 4358, nxpk= 20, iat=2701,2697, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 164 LYS HN 163 PRO HB+ 4.40 (# 4359:20 Unique 2.11, 3.42 A)
&rst
ixpk= 4359, nxpk= 20, iat=2701, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2694,2695,
&end
#
# 10 ASN HD2- 0 AMB 20-1:4360 5.50 (# 4360:20 Single Ambig)
&rst
ixpk= 4360, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 151, 152,
igr2= 108, 109, 108, 109,
&end
#
# 163 PRO HA 163 PRO HB+ 2.60 (# 4361:20 Unique 2.30, 2.51 A)
&rst
ixpk= 4361, nxpk= 20, iat=2697, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2694,2695,
&end
#
# 163 PRO HD+ 163 PRO HB+ 4.40 (# 4362:20 Unique 2.98, 3.70 A)
&rst
ixpk= 4362, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2688,2689,
igr2=2694,2695,
&end
#
# 163 PRO HD+ 163 PRO HB- 4.40 (# 4363:20 Unique 2.98, 3.70 A)
&rst
ixpk= 4363, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2688,2689,
igr2=2694,2695,
&end
#
# 163 PRO HD- 163 PRO HB+ 4.40 (# 4364:20 Unique 2.98, 3.70 A)
&rst
ixpk= 4364, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2688,2689,
igr2=2694,2695,
&end
#
# 163 PRO HD- 163 PRO HB- 3.50 (# 4365:20 Unique 2.98, 3.70 A)
&rst
ixpk= 4365, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2688,2689,
igr2=2694,2695,
&end
#
# 0 AMB 20-2:4366 0 AMB 20-1:4366 5.50 (# 4366:20 Double Ambig)
&rst
ixpk= 4366, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1=2679,2680,2681,1564,1565,
igr2=2691,2692, 132, 133,
&end
#
# 163 PRO HB+ 163 PRO HG+ 2.60 (# 4367:20 Unique 2.32, 2.58 A)
&rst
ixpk= 4367, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2694,2695,
igr2=2691,2692,
&end
#
# 163 PRO HB- 163 PRO HG+ 2.60 (# 4369:20 Unique 2.32, 2.58 A)
&rst
ixpk= 4369, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2694,2695,
igr2=2691,2692,
&end
#
# 163 PRO HD- 163 PRO HG+ 3.50 (# 4371:20 Unique 2.30, 2.58 A)
&rst
ixpk= 4371, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2688,2689,
igr2=2691,2692,
&end
#
# 163 PRO HD+ 163 PRO HG+ 3.50 (# 4372:20 Unique 2.30, 2.58 A)
&rst
ixpk= 4372, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2688,2689,
igr2=2691,2692,
&end
#
# 163 PRO HA 163 PRO HG+ 4.40 (# 4373:20 Unique 3.85, 3.94 A)
&rst
ixpk= 4373, nxpk= 20, iat=2697, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2691,2692,
&end
#
# 162 THR HA 163 PRO HG+ 5.50 (# 4374:20 Unique 4.51, 4.55 A)
&rst
ixpk= 4374, nxpk= 20, iat=2675, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2691,2692,
&end
#
# 0 AMB 20-2:4375 0 AMB 20-1:4375 5.50 (# 4375:20 Double Ambig)
&rst
ixpk= 4375, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2675, 85,
igr2=2691,2692, 132, 133,
&end
#
# 162 THR MG2 163 PRO HD+ 4.40 (# 4377:20 Unique 2.35, 3.81 A)
&rst
ixpk= 4377, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=2679,2680,2681,
igr2=2688,2689,
&end
#
# 162 THR MG2 163 PRO HD- 4.40 (# 4378:20 Unique 2.35, 3.81 A)
&rst
ixpk= 4378, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=2679,2680,2681,
igr2=2688,2689,
&end
#
# 163 PRO HG+ 163 PRO HD+ 2.60 (# 4379:20 Unique 2.30, 2.58 A)
&rst
ixpk= 4379, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2691,2692,
igr2=2688,2689,
&end
#
# 0 AMB 20-2:4380 163 PRO HD- 2.60 (# 4380:20 Single Ambig)
&rst
ixpk= 4380, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2691,2692, 262, 263,2694,2695,
igr2=2688,2689,
&end
#
# 0 AMB 20-2:4381 0 AMB 20-1:4381 2.60 (# 4381:20 Double Ambig)
&rst
ixpk= 4381, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2691,2692, 262, 263,
igr2=2688,2689,2688,2689,
&end
#
# 163 PRO HG+ 163 PRO HD- 2.60 (# 4382:20 Unique 2.30, 2.58 A)
&rst
ixpk= 4382, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2691,2692,
igr2=2688,2689,
&end
#
# 163 PRO HB+ 163 PRO HD+ 3.50 (# 4383:20 Unique 2.98, 3.70 A)
&rst
ixpk= 4383, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2694,2695,
igr2=2688,2689,
&end
#
# 163 PRO HB+ 163 PRO HD- 4.40 (# 4384:20 Unique 2.98, 3.70 A)
&rst
ixpk= 4384, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2694,2695,
igr2=2688,2689,
&end
#
# 0 AMB 20-2:4387 163 PRO HD- 4.40 (# 4387:20 Single Ambig)
&rst
ixpk= 4387, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2610,2629,
igr2=2688,2689,
&end
#
# 162 THR HB 163 PRO HD+ 4.40 (# 4388:20 Unique 1.89, 2.71 A)
&rst
ixpk= 4388, nxpk= 20, iat=2677, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2688,2689,
&end
#
# 0 AMB 20-2:4389 0 AMB 20-1:4389 4.40 (# 4389:20 Double Ambig)
&rst
ixpk= 4389, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=2610,2629,
igr2=2688,2689,2688,2689,
&end
#
# 162 THR HB 163 PRO HD- 4.40 (# 4390:20 Unique 1.89, 2.71 A)
&rst
ixpk= 4390, nxpk= 20, iat=2677, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2688,2689,
&end
#
# 163 PRO HA 163 PRO HD- 4.40 (# 4393:20 Unique 3.60, 3.85 A)
&rst
ixpk= 4393, nxpk= 20, iat=2697, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2688,2689,
&end
#
# 163 PRO HA 163 PRO HD+ 4.40 (# 4394:20 Unique 3.60, 3.85 A)
&rst
ixpk= 4394, nxpk= 20, iat=2697, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2688,2689,
&end
#
# 162 THR HA 163 PRO HD+ 2.60 (# 4395:20 Unique 2.32, 2.40 A)
&rst
ixpk= 4395, nxpk= 20, iat=2675, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2688,2689,
&end
#
# 162 THR HA 163 PRO HD- 2.60 (# 4396:20 Unique 2.32, 2.40 A)
&rst
ixpk= 4396, nxpk= 20, iat=2675, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2688,2689,
&end
#
# 0 AMB 20-2:4397 163 PRO HD- 5.50 (# 4397:20 Single Ambig)
&rst
ixpk= 4397, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2673,2701,
igr2=2688,2689,
&end
#
# 164 LYS HN 164 LYS HA 3.50 (# 4398:20 Unique 2.77, 2.87 A)
&rst
ixpk= 4398, nxpk= 20, iat=2701,2703, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 163 PRO HD+ 164 LYS HA 5.52 (# 4399:20 Unique 5.61, 6.30 A)
&rst
ixpk= 4399, nxpk= 20, iat= -1,2703, r1= 0.00, r2= 1.80, r3= 6.20, r4= 6.95,
igr1=2688,2689,
&end
#
# 164 LYS HG+ 164 LYS HA 4.40 (# 4401:20 Unique 2.18, 3.62 A)
&rst
ixpk= 4401, nxpk= 20, iat= -1,2703, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2708,2709,
&end
#
# 164 LYS HB- 164 LYS HA 3.50 (# 4402:20 Unique 2.31, 2.57 A)
&rst
ixpk= 4402, nxpk= 20, iat= -1,2703, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2705,2706,
&end
#
# 164 LYS HB+ 164 LYS HA 2.60 (# 4403:20 Unique 2.31, 2.57 A)
&rst
ixpk= 4403, nxpk= 20, iat= -1,2703, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=2705,2706,
&end
#
# 164 LYS HA 164 LYS HB- 5.50 (# 4404:20 Unique 2.31, 2.57 A)
&rst
ixpk= 4404, nxpk= 20, iat=2703, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2705,2706,
&end
#
# 164 LYS HN 164 LYS HB+ 5.50 (# 4405:20 Unique 2.23, 3.18 A)
&rst
ixpk= 4405, nxpk= 20, iat=2701, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2705,2706,
&end
#
# 164 LYS HB+ 164 LYS HG+ 2.60 (# 4406:20 Unique 2.21, 2.63 A)
&rst
ixpk= 4406, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2705,2706,
igr2=2708,2709,
&end
#
# 164 LYS HA 164 LYS HD+ 3.50 (# 4407:20 Unique 2.01, 3.93 A)
&rst
ixpk= 4407, nxpk= 20, iat=2703, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2711,2712,
&end
#
# 0 AMB 20-2:4408 0 AMB 20-1:4408 4.40 (# 4408:20 Double Ambig)
&rst
ixpk= 4408, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1456,2675,
igr2=1464,1465,2711,2712,
&end
#
# 90 PRO HA 89 LYS HD+ 4.40 (# 4409:20 Unique 4.29, 6.09 A)
&rst
ixpk= 4409, nxpk= 20, iat=1486, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1464,1465,
&end
#
# 0 AMB 20-2:4411 0 AMB 20-1:4411 5.50 (# 4411:20 Double Ambig)
&rst
ixpk= 4411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2697,1442,
igr2=2711,2712,1464,1465,
&end
#
# 0 AMB 20-2:4412 0 AMB 20-1:4412 5.50 (# 4412:20 Double Ambig)
&rst
ixpk= 4412, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1483,1484,2634,2635,2651,2652,
igr2=1464,1465,2711,2712,2711,2712,
&end
#
# 129 TYR HB+ 129 TYR HA 4.40 (# 4413:20 Unique 2.33, 2.51 A)
&rst
ixpk= 4413, nxpk= 20, iat= -1,2096, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2098,2099,
&end
#
# 129 TYR HD 129 TYR HA 4.40 (# 4414:20 Unique 2.91, 4.07 A)
&rst
ixpk= 4414, nxpk= 20, iat= -1,2096, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2102,2111,
&end
#
# 138 SER HN 138 SER HB- 3.50 (# 4416:20 Unique 2.09, 2.83 A)
&rst
ixpk= 4416, nxpk= 20, iat=2263, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2267,2268,
&end
#
# 0 AMB 20-2:4418 0 AMB 20-1:4418 4.40 (# 4418:20 Double Ambig)
&rst
ixpk= 4418, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=2274,2115,
igr2=2267,2268,2141,
&end
#
# 0 AMB 20-2:4419 0 AMB 20-1:4419 4.40 (# 4419:20 Double Ambig)
&rst
ixpk= 4419, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1=2253,2254,2255,2257,2258,2259,2073,2074,2075,2077,
2078,2079,
igr2=2267,2268,2141,
&end
#
# 94 GLY HN 93 ILE HA 5.50 (# 4422:20 Unique 3.03, 3.10 A)
&rst
ixpk= 4422, nxpk= 20, iat=1536,1519, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 118 THR HN 119 PRO HD- 5.50 (# 4431:20 Unique 4.25, 4.50 A)
&rst
ixpk= 4431, nxpk= 20, iat=1913, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1928,1929,
&end
#
# 118 THR HN 119 PRO HD+ 5.50 (# 4432:20 Unique 4.25, 4.50 A)
&rst
ixpk= 4432, nxpk= 20, iat=1913, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1928,1929,
&end
#
# 118 THR HA 119 PRO HD- 2.60 (# 4433:20 Unique 1.92, 2.17 A)
&rst
ixpk= 4433, nxpk= 20, iat=1915, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1928,1929,
&end
#
# 118 THR HA 119 PRO HD+ 2.60 (# 4434:20 Unique 1.92, 2.17 A)
&rst
ixpk= 4434, nxpk= 20, iat=1915, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1928,1929,
&end
#
# 118 THR HB 119 PRO HD- 5.50 (# 4437:20 Unique 3.44, 4.11 A)
&rst
ixpk= 4437, nxpk= 20, iat=1917, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1928,1929,
&end
#
# 118 THR HB 119 PRO HD+ 4.40 (# 4438:20 Unique 3.44, 4.11 A)
&rst
ixpk= 4438, nxpk= 20, iat=1917, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1928,1929,
&end
#
# 119 PRO HG+ 119 PRO HD- 3.50 (# 4439:20 Unique 2.30, 2.58 A)
&rst
ixpk= 4439, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1931,1932,
igr2=1928,1929,
&end
#
# 119 PRO HG+ 119 PRO HD+ 2.60 (# 4440:20 Unique 2.30, 2.58 A)
&rst
ixpk= 4440, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1931,1932,
igr2=1928,1929,
&end
#
# 119 PRO HG- 119 PRO HD+ 3.50 (# 4441:20 Unique 2.30, 2.58 A)
&rst
ixpk= 4441, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1931,1932,
igr2=1928,1929,
&end
#
# 119 PRO HG- 119 PRO HD- 3.50 (# 4442:20 Unique 2.30, 2.58 A)
&rst
ixpk= 4442, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1931,1932,
igr2=1928,1929,
&end
#
# 118 THR MG2 119 PRO HD- 4.40 (# 4443:20 Unique 3.16, 4.64 A)
&rst
ixpk= 4443, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1919,1920,1921,
igr2=1928,1929,
&end
#
# 118 THR MG2 119 PRO HD+ 3.50 (# 4444:20 Unique 3.16, 4.64 A)
&rst
ixpk= 4444, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1919,1920,1921,
igr2=1928,1929,
&end
#
# 119 PRO HB- 119 PRO HD+ 4.40 (# 4445:20 Unique 2.98, 3.70 A)
&rst
ixpk= 4445, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1934,1935,
igr2=1928,1929,
&end
#
# 119 PRO HB- 119 PRO HD- 5.50 (# 4446:20 Unique 2.98, 3.70 A)
&rst
ixpk= 4446, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1934,1935,
igr2=1928,1929,
&end
#
# 79 LEU HA 80 PRO HD+ 3.50 (# 4448:20 Unique 2.25, 2.29 A)
&rst
ixpk= 4448, nxpk= 20, iat=1268, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1286,1287,
&end
#
# 0 AMB 20-2:4450 0 AMB 20-1:4450 2.60 (# 4450:20 Double Ambig)
&rst
ixpk= 4450, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.96, r4= 5.71,
igr1=1354,1355,1356,1358,1359,1360,1354,1355,1356,1358,
1359,1360,
igr2=1286,1287,1286,1287,
&end
#
# 80 PRO HG- 80 PRO HD+ 3.50 (# 4451:20 Unique 2.30, 2.58 A)
&rst
ixpk= 4451, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1289,1290,
igr2=1286,1287,
&end
#
# 79 LEU HA 80 PRO HD- 3.50 (# 4453:20 Unique 2.25, 2.29 A)
&rst
ixpk= 4453, nxpk= 20, iat=1268, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1286,1287,
&end
#
# 80 PRO HG- 80 PRO HD- 2.60 (# 4455:20 Unique 2.30, 2.58 A)
&rst
ixpk= 4455, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1289,1290,
igr2=1286,1287,
&end
#
# 0 AMB 20-2:4456 80 PRO HD- 2.60 (# 4456:20 Single Ambig)
&rst
ixpk= 4456, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=1354,1355,1356,1358,1359,1360,1354,1355,1356,1358,
1359,1360,
igr2=1286,1287,
&end
#
# 55 PHE HA 59 GLY HA- 5.50 (# 4457:20 Unique 1.86, 2.84 A)
&rst
ixpk= 4457, nxpk= 20, iat= 846, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 912, 913,
&end
#
# 0 AMB 20-2:4458 59 GLY HA- 5.50 (# 4458:20 Single Ambig)
&rst
ixpk= 4458, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 854, 858, 894,
igr2= 912, 913,
&end
#
# 0 AMB 20-2:4459 0 AMB 20-1:4459 5.50 (# 4459:20 Double Ambig)
&rst
ixpk= 4459, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 854, 858, 894,
igr2= 912, 913, 912, 913,
&end
#
# 0 AMB 20-2:4464 102 LEU HB- 5.50 (# 4464:20 Single Ambig)
&rst
ixpk= 4464, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1009, 202,
igr2=1688,1689,
&end
#
# 0 AMB 20-2:4468 0 AMB 20-1:4468 4.40 (# 4468:20 Double Ambig)
&rst
ixpk= 4468, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1408,1409,2566,
igr2=1390,1391, 268, 269,
&end
#
# 0 AMB 20-2:4469 8 ARG HD- 4.40 (# 4469:20 Single Ambig)
&rst
ixpk= 4469, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1510,1511, 11, 12,
igr2= 114, 115,
&end
#
# 41 ASN HD2- 52 ARG HD+ 5.50 (# 4474:20 Unique 2.13, 4.69 A)
&rst
ixpk= 4474, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 644, 645,
igr2= 796, 797,
&end
#
# 56 GLU HG+ 52 ARG HD+ 4.40 (# 4476:20 Unique 3.73, 5.72 A)
&rst
ixpk= 4476, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 871, 872,
igr2= 796, 797,
&end
#
# 41 ASN HB+ 52 ARG HD+ 4.40 (# 4477:20 Unique 3.23, 5.35 A)
&rst
ixpk= 4477, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 639, 640,
igr2= 796, 797,
&end
#
# 0 AMB 20-2:4478 0 AMB 20-1:4478 3.50 (# 4478:20 Double Ambig)
&rst
ixpk= 4478, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 871, 872, 725, 726,
igr2= 796, 797, 796, 797,
&end
#
# 0 AMB 20-2:4480 0 AMB 20-1:4480 2.60 (# 4480:20 Double Ambig)
&rst
ixpk= 4480, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2708,2709,2304,2305,1461,1462,
igr2=2714,2715,2307,2308,1467,1468,
&end
#
# 89 LYS HD+ 89 LYS HE+ 2.60 (# 4481:20 Unique 2.23, 2.70 A)
&rst
ixpk= 4481, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1464,1465,
igr2=1467,1468,
&end
#
# 0 AMB 20-2:4482 0 AMB 20-1:4482 2.60 (# 4482:20 Double Ambig)
&rst
ixpk= 4482, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 975, 976,1494,1480,1481,
igr2= 984, 985,1467,1468,1467,1468,
&end
#
# 141 ARG HN 140 LYS HE- 4.40 (# 4485:20 Unique 4.91, 5.92 A)
&rst
ixpk= 4485, nxpk= 20, iat=2316, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2307,2308,
&end
#
# 140 LYS HD- 140 LYS HE- 3.50 (# 4486:20 Unique 2.22, 2.68 A)
&rst
ixpk= 4486, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2304,2305,
igr2=2307,2308,
&end
#
# 140 LYS HD+ 140 LYS HE- 3.50 (# 4487:20 Unique 2.22, 2.68 A)
&rst
ixpk= 4487, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2304,2305,
igr2=2307,2308,
&end
#
# 140 LYS HG+ 140 LYS HE- 2.60 (# 4488:20 Unique 1.95, 3.27 A)
&rst
ixpk= 4488, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2301,2302,
igr2=2307,2308,
&end
#
# 0 AMB 20-2:4489 140 LYS HE- 5.50 (# 4489:20 Single Ambig)
&rst
ixpk= 4489, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=2301,2302,2253,2254,2255,2257,2258,2259,
igr2=2307,2308,
&end
#
# 141 ARG HN 140 LYS HE- 4.40 (# 4490:20 Unique 4.91, 5.92 A)
&rst
ixpk= 4490, nxpk= 20, iat=2316, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2307,2308,
&end
#
# 140 LYS HD- 140 LYS HE- 4.40 (# 4491:20 Unique 2.22, 2.68 A)
&rst
ixpk= 4491, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2304,2305,
igr2=2307,2308,
&end
#
# 41 ASN HD2- 52 ARG HD+ 5.50 (# 4493:20 Unique 2.13, 4.69 A)
&rst
ixpk= 4493, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 644, 645,
igr2= 796, 797,
&end
#
# 28 PHE HA 122 ASP HB+ 5.50 (# 4497:20 Unique 7.01, 9.30 A)
&rst
ixpk= 4497, nxpk= 20, iat= 440, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1980,1981,
&end
#
# 52 ARG HE 52 ARG HD- 3.50 (# 4499:20 Unique 2.28, 2.66 A)
&rst
ixpk= 4499, nxpk= 20, iat= 799, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 796, 797,
&end
#
# 52 ARG HG- 52 ARG HD- 3.50 (# 4501:20 Unique 2.22, 2.60 A)
&rst
ixpk= 4501, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 793, 794,
igr2= 796, 797,
&end
#
# 98 LYS HE- 96 LYS HE+ 4.40 (# 4504:20 Unique 2.20, 8.20 A)
&rst
ixpk= 4504, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1612,1613,
igr2=1573,1574,
&end
#
# 0 AMB 20-2:4505 0 AMB 20-1:4505 3.50 (# 4505:20 Double Ambig)
&rst
ixpk= 4505, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1570,1571,1206,1207,
igr2=1573,1574,1573,1574,
&end
#
# 23 MET HB+ 15 ILE HB 5.50 (# 4508:20 Unique 1.96, 3.01 A)
&rst
ixpk= 4508, nxpk= 20, iat= -1, 218, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 343, 344,
&end
#
# 48 GLN HA 51 TYR HB- 5.50 (# 4512:20 Unique 2.74, 3.70 A)
&rst
ixpk= 4512, nxpk= 20, iat= 723, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 769, 770,
&end
#
# 51 TYR HD 51 TYR HB- 5.50 (# 4513:20 Unique 2.30, 3.06 A)
&rst
ixpk= 4513, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 773, 782,
igr2= 769, 770,
&end
#
# 0 AMB 20-2:4514 0 AMB 20-1:4514 5.50 (# 4514:20 Double Ambig)
&rst
ixpk= 4514, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1160,1161, 87, 88,
igr2=1564,1565,1564,1565,
&end
#
# 98 LYS HN 11 VAL HB 5.50 (# 4515:20 Unique 4.89, 5.21 A)
&rst
ixpk= 4515, nxpk= 20, iat=1599, 160, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 107 GLY HN 110 GLU HG- 5.50 (# 4517:20 Unique 2.58, 3.81 A)
&rst
ixpk= 4517, nxpk= 20, iat=1766, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1802,1803,
&end
#
# 110 GLU HA 110 GLU HG- 2.60 (# 4518:20 Unique 2.58, 3.27 A)
&rst
ixpk= 4518, nxpk= 20, iat=1797, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1802,1803,
&end
#
# 106 SER HB- 110 GLU HG- 5.50 (# 4519:20 Unique 2.00, 2.99 A)
&rst
ixpk= 4519, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1759,1760,
igr2=1802,1803,
&end
#
# 0 AMB 20-2:4520 110 GLU HG- 4.40 (# 4520:20 Single Ambig)
&rst
ixpk= 4520, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
igr2=1802,1803,
&end
#
# 109 ALA MB 110 GLU HG- 5.50 (# 4521:20 Unique 3.43, 5.54 A)
&rst
ixpk= 4521, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1789,1790,1791,
igr2=1802,1803,
&end
#
# 110 GLU HB- 110 GLU HG- 2.60 (# 4522:20 Unique 2.25, 2.58 A)
&rst
ixpk= 4522, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1799,1800,
igr2=1802,1803,
&end
#
# 110 GLU HB+ 110 GLU HG- 2.60 (# 4523:20 Unique 2.25, 2.58 A)
&rst
ixpk= 4523, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1799,1800,
igr2=1802,1803,
&end
#
# 57 GLU HB- 57 GLU HG- 4.40 (# 4528:20 Unique 2.21, 2.64 A)
&rst
ixpk= 4528, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 883, 884,
igr2= 886, 887,
&end
#
# 57 GLU HN 57 GLU HG- 4.40 (# 4530:20 Unique 1.72, 3.01 A)
&rst
ixpk= 4530, nxpk= 20, iat= 879, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 886, 887,
&end
#
# 40 ILE QD1 9 PRO HB- 3.50 (# 4531:20 Unique 2.00, 3.74 A)
&rst
ixpk= 4531, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 629, 630, 631,
igr2= 135, 136,
&end
#
# 133 VAL MGY 148 MET HG+ 4.40 (# 4532:20 Unique 1.99, 4.42 A)
&rst
ixpk= 4532, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2180,2181,2182,2184,2185,2186,
igr2=2460,2461,
&end
#
# 148 MET ME 148 MET HG+ 5.50 (# 4533:20 Unique 2.38, 3.71 A)
&rst
ixpk= 4533, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2464,2465,2466,
igr2=2460,2461,
&end
#
# 144 TYR HB- 148 MET HG+ 4.40 (# 4535:20 Unique 3.08, 4.93 A)
&rst
ixpk= 4535, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2372,2373,
igr2=2460,2461,
&end
#
# 11 VAL MGY 9 PRO HB- 5.50 (# 4536:20 Unique 4.41, 6.99 A)
&rst
ixpk= 4536, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 162, 163, 164, 166, 167, 168,
igr2= 135, 136,
&end
#
# 0 AMB 20-2:4537 9 PRO HB- 3.50 (# 4537:20 Single Ambig)
&rst
ixpk= 4537, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 626, 627,1567,1568,
igr2= 135, 136,
&end
#
# 9 PRO HD+ 9 PRO HB- 5.50 (# 4538:20 Unique 2.98, 3.70 A)
&rst
ixpk= 4538, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 129, 130,
igr2= 135, 136,
&end
#
# 62 ARG HN 62 ARG HB- 3.50 (# 4546:20 Unique 2.53, 3.15 A)
&rst
ixpk= 4546, nxpk= 20, iat= 947, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 951, 952,
&end
#
# 11 VAL MGY 50 MET HB+ 3.50 (# 4574:20 Unique 1.99, 4.71 A)
&rst
ixpk= 4574, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 162, 163, 164, 166, 167, 168,
igr2= 752, 753,
&end
#
# 13 ILE HG1- 50 MET HB+ 4.40 (# 4575:20 Unique 3.64, 6.14 A)
&rst
ixpk= 4575, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 189, 190,
igr2= 752, 753,
&end
#
# 0 AMB 20-2:4586 0 AMB 20-1:4586 3.50 (# 4586:20 Double Ambig)
&rst
ixpk= 4586, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=2694,2695,2691,2692,
igr2=2708,2709,2708,2709,
&end
#
# 0 AMB 20-2:4587 0 AMB 20-1:4587 5.50 (# 4587:20 Double Ambig)
&rst
ixpk= 4587, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2697,1442,
igr2=2708,2709,1461,1462,
&end
#
# 101 LEU MDY 155 VAL MGY 2.60 (# 4589:20 Unique 3.02, 6.76 A)
&rst
ixpk= 4589, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1674,1675,1676,1678,1679,1680,
igr2=2570,2571,2572,2574,2575,2576,
&end
#
# 91 VAL MGY 89 LYS HG- 5.50 (# 4590:20 Unique 5.25, 6.41 A)
&rst
ixpk= 4590, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1496,1497,1498,1500,1501,1502,
igr2=1461,1462,
&end
#
# 0 AMB 20-2:4591 89 LYS HG- 5.50 (# 4591:20 Single Ambig)
&rst
ixpk= 4591, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1442,1406,
igr2=1461,1462,
&end
#
# 145 ARG HN 0 AMB 20-1:4592 5.50 (# 4592:20 Single Ambig)
&rst
ixpk= 4592, nxpk= 20, iat=2389, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr2=2180,2181,2182,2184,2185,2186,2358,2359,2360,2362,
2363,2364,
&end
#
# 145 ARG HN 143 VAL MGY 5.50 (# 4593:20 Unique 4.13, 5.54 A)
&rst
ixpk= 4593, nxpk= 20, iat=2389, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 145 ARG HA 133 VAL MGY 3.50 (# 4594:20 Unique 1.99, 3.72 A)
&rst
ixpk= 4594, nxpk= 20, iat=2391, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2180,2181,2182,2184,2185,2186,
&end
#
# 148 MET HG+ 133 VAL MGY 4.40 (# 4595:20 Unique 1.99, 4.42 A)
&rst
ixpk= 4595, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2460,2461,
igr2=2180,2181,2182,2184,2185,2186,
&end
#
# 0 AMB 20-2:4597 60 LEU MDY 5.50 (# 4597:20 Single Ambig)
&rst
ixpk= 4597, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1775, 846,
igr2= 926, 927, 928, 930, 931, 932,
&end
#
# 111 ILE QG2 58 VAL MGX 4.40 (# 4600:20 Unique 1.99, 5.01 A)
&rst
ixpk= 4600, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1=1816,1817,1818,
igr2= 900, 901, 902, 904, 905, 906,
&end
#
# 0 AMB 20-2:4602 155 VAL MGX 4.40 (# 4602:20 Single Ambig)
&rst
ixpk= 4602, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1=2587,2588, 237, 238,
igr2=2570,2571,2572,2574,2575,2576,
&end
#
# 0 AMB 20-2:4603 136 VAL MGY 2.60 (# 4603:20 Single Ambig)
&rst
ixpk= 4603, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=2378,2383,2174,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 135 GLN HN 136 VAL MGY 4.40 (# 4604:20 Unique 3.31, 5.30 A)
&rst
ixpk= 4604, nxpk= 20, iat=2214, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 144 TYR HD 136 VAL MGY 3.50 (# 4605:20 Unique 1.98, 4.84 A)
&rst
ixpk= 4605, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2376,2385,
igr2=2237,2238,2239,2241,2242,2243,
&end
#
# 0 AMB 20-2:4609 88 THR MG2 5.50 (# 4609:20 Single Ambig)
&rst
ixpk= 4609, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1=1477,1478,1408,1409,1366,
igr2=1446,1447,1448,
&end
#
# 85 ARG HB+ 88 THR MG2 2.60 (# 4611:20 Unique 1.96, 3.19 A)
&rst
ixpk= 4611, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1384,1385,
igr2=1446,1447,1448,
&end
#
# 85 ARG HB- 88 THR MG2 2.60 (# 4612:20 Unique 1.96, 3.19 A)
&rst
ixpk= 4612, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1384,1385,
igr2=1446,1447,1448,
&end
#
# 111 ILE QD1 113 MET ME 5.50 (# 4616:20 Unique 2.82, 5.20 A)
&rst
ixpk= 4616, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1823,1824,1825,
igr2=1854,1855,1856,
&end
#
# 111 ILE QG2 113 MET ME 2.60 (# 4617:20 Unique 2.00, 3.44 A)
&rst
ixpk= 4617, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.75, r4= 4.50,
igr1=1816,1817,1818,
igr2=1854,1855,1856,
&end
#
# 25 ALA MB 113 MET ME 3.50 (# 4618:20 Unique 2.00, 3.72 A)
&rst
ixpk= 4618, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 384, 385, 386,
igr2=1854,1855,1856,
&end
#
# 0 AMB 20-2:4619 113 MET ME 3.50 (# 4619:20 Single Ambig)
&rst
ixpk= 4619, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1= 900, 901, 902, 904, 905, 906, 900, 901, 902, 904,
905, 906,
igr2=1854,1855,1856,
&end
#
# 23 MET ME 113 MET ME 5.50 (# 4620:20 Unique 3.63, 5.86 A)
&rst
ixpk= 4620, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 350, 351, 352,
igr2=1854,1855,1856,
&end
#
# 0 AMB 20-2:4621 113 MET ME 4.40 (# 4621:20 Single Ambig)
&rst
ixpk= 4621, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=1814, 418, 419,
igr2=1854,1855,1856,
&end
#
# 113 MET HG+ 113 MET ME 2.60 (# 4622:20 Unique 2.06, 3.29 A)
&rst
ixpk= 4622, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=1850,1851,
igr2=1854,1855,1856,
&end
#
# 0 AMB 20-2:4623 113 MET ME 5.50 (# 4623:20 Single Ambig)
&rst
ixpk= 4623, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 898, 883, 884,
igr2=1854,1855,1856,
&end
#
# 0 AMB 20-2:4624 113 MET ME 3.50 (# 4624:20 Single Ambig)
&rst
ixpk= 4624, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1960,1961,1999,2000,
igr2=1854,1855,1856,
&end
#
# 124 TRP HB- 113 MET ME 3.50 (# 4625:20 Unique 2.83, 4.60 A)
&rst
ixpk= 4625, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1999,2000,
igr2=1854,1855,1856,
&end
#
# 121 PHE HB+ 113 MET ME 3.50 (# 4626:20 Unique 2.14, 4.41 A)
&rst
ixpk= 4626, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1960,1961,
igr2=1854,1855,1856,
&end
#
# 58 VAL HA 113 MET ME 3.50 (# 4627:20 Unique 2.05, 3.38 A)
&rst
ixpk= 4627, nxpk= 20, iat= 896, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1854,1855,1856,
&end
#
# 25 ALA HA 113 MET ME 5.50 (# 4628:20 Unique 4.16, 5.68 A)
&rst
ixpk= 4628, nxpk= 20, iat= 382, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1854,1855,1856,
&end
#
# 124 TRP HA 113 MET ME 5.50 (# 4630:20 Unique 3.01, 5.31 A)
&rst
ixpk= 4630, nxpk= 20, iat=1997, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1854,1855,1856,
&end
#
# 121 PHE HE 113 MET ME 3.50 (# 4632:20 Unique 2.40, 5.25 A)
&rst
ixpk= 4632, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1966,1970,
igr2=1854,1855,1856,
&end
#
# 0 AMB 20-2:4634 113 MET ME 5.50 (# 4634:20 Single Ambig)
&rst
ixpk= 4634, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1988, 910,2056,
igr2=1854,1855,1856,
&end
#
# 0 AMB 20-2:4635 113 MET ME 5.50 (# 4635:20 Single Ambig)
&rst
ixpk= 4635, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 390, 380,
igr2=1854,1855,1856,
&end
#
# 0 AMB 20-2:4637 113 MET ME 4.40 (# 4637:20 Single Ambig)
&rst
ixpk= 4637, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1843,1976,
igr2=1854,1855,1856,
&end
#
# 151 PHE HD 148 MET ME 5.50 (# 4640:20 Unique 2.42, 5.68 A)
&rst
ixpk= 4640, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2515,2523,
igr2=2464,2465,2466,
&end
#
# 35 PHE HD 148 MET ME 5.50 (# 4641:20 Unique 5.33, 7.52 A)
&rst
ixpk= 4641, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 559, 567,
igr2=2464,2465,2466,
&end
#
# 148 MET HN 148 MET ME 4.40 (# 4643:20 Unique 4.46, 5.46 A)
&rst
ixpk= 4643, nxpk= 20, iat=2453, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=2464,2465,2466,
&end
#
# 129 TYR HD 148 MET ME 5.50 (# 4644:20 Unique 2.02, 5.28 A)
&rst
ixpk= 4644, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2102,2111,
igr2=2464,2465,2466,
&end
#
# 148 MET HA 148 MET ME 3.50 (# 4645:20 Unique 2.00, 3.39 A)
&rst
ixpk= 4645, nxpk= 20, iat=2455, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=2464,2465,2466,
&end
#
# 129 TYR HA 148 MET ME 4.40 (# 4646:20 Unique 1.98, 3.18 A)
&rst
ixpk= 4646, nxpk= 20, iat=2096, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=2464,2465,2466,
&end
#
# 129 TYR HB+ 148 MET ME 5.50 (# 4647:20 Unique 2.00, 3.67 A)
&rst
ixpk= 4647, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2098,2099,
igr2=2464,2465,2466,
&end
#
# 151 PHE HB+ 148 MET ME 5.50 (# 4648:20 Unique 2.73, 4.47 A)
&rst
ixpk= 4648, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2511,2512,
igr2=2464,2465,2466,
&end
#
# 0 AMB 20-2:4649 148 MET ME 3.50 (# 4649:20 Single Ambig)
&rst
ixpk= 4649, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2098,2099,2460,2461,
igr2=2464,2465,2466,
&end
#
# 148 MET HG- 148 MET ME 3.50 (# 4650:20 Unique 2.38, 3.71 A)
&rst
ixpk= 4650, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2460,2461,
igr2=2464,2465,2466,
&end
#
# 22 VAL MGX 148 MET ME 2.60 (# 4652:20 Unique 1.99, 4.56 A)
&rst
ixpk= 4652, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1= 329, 330, 331, 333, 334, 335,
igr2=2464,2465,2466,
&end
#
# 14 VAL MGY 148 MET ME 2.60 (# 4653:20 Unique 2.91, 5.57 A)
&rst
ixpk= 4653, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1= 204, 205, 206, 208, 209, 210,
igr2=2464,2465,2466,
&end
#
# 14 VAL MGX 148 MET ME 3.50 (# 4654:20 Unique 2.91, 5.57 A)
&rst
ixpk= 4654, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 204, 205, 206, 208, 209, 210,
igr2=2464,2465,2466,
&end
#
# 0 AMB 20-2:4655 148 MET ME 5.50 (# 4655:20 Single Ambig)
&rst
ixpk= 4655, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.53, r4=10.28,
igr1=2180,2181,2182,2184,2185,2186,1672,2167,2168,
igr2=2464,2465,2466,
&end
#
# 147 VAL MGX 148 MET ME 5.50 (# 4656:20 Unique 4.03, 7.03 A)
&rst
ixpk= 4656, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=2443,2444,2445,2447,2448,2449,
igr2=2464,2465,2466,
&end
#
# 16 CYS HN 15 ILE QG2 3.50 (# 4657:20 Unique 2.01, 3.22 A)
&rst
ixpk= 4657, nxpk= 20, iat= 233, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 220, 221, 222,
&end
#
# 15 ILE HN 15 ILE QG2 5.50 (# 4658:20 Unique 4.41, 4.60 A)
&rst
ixpk= 4658, nxpk= 20, iat= 214, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 220, 221, 222,
&end
#
# 104 LEU HN 15 ILE QG2 3.50 (# 4659:20 Unique 2.39, 3.13 A)
&rst
ixpk= 4659, nxpk= 20, iat=1720, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 220, 221, 222,
&end
#
# 103 GLN HN 15 ILE QG2 5.50 (# 4660:20 Unique 4.21, 5.59 A)
&rst
ixpk= 4660, nxpk= 20, iat=1703, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 220, 221, 222,
&end
#
# 126 TRP HZ2 15 ILE QG2 5.50 (# 4661:20 Unique 4.25, 6.38 A)
&rst
ixpk= 4661, nxpk= 20, iat=2056, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 220, 221, 222,
&end
#
# 103 GLN HE2+ 15 ILE QG2 4.40 (# 4662:20 Unique 5.23, 7.62 A)
&rst
ixpk= 4662, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1715,1716,
igr2= 220, 221, 222,
&end
#
# 103 GLN HA 15 ILE QG2 4.40 (# 4664:20 Unique 2.38, 3.71 A)
&rst
ixpk= 4664, nxpk= 20, iat=1705, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2= 220, 221, 222,
&end
#
# 15 ILE HA 15 ILE QG2 2.60 (# 4665:20 Unique 2.28, 3.02 A)
&rst
ixpk= 4665, nxpk= 20, iat= 216, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2= 220, 221, 222,
&end
#
# 104 LEU HB+ 15 ILE QG2 3.50 (# 4666:20 Unique 1.98, 3.52 A)
&rst
ixpk= 4666, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1724,1725,
igr2= 220, 221, 222,
&end
#
# 15 ILE HB 15 ILE QG2 2.60 (# 4667:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4667, nxpk= 20, iat= 218, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2= 220, 221, 222,
&end
#
# 15 ILE HG1+ 15 ILE QG2 2.60 (# 4668:20 Unique 2.24, 3.45 A)
&rst
ixpk= 4668, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 224, 225,
igr2= 220, 221, 222,
&end
#
# 15 ILE HG1+ 15 ILE QG2 2.60 (# 4669:20 Unique 2.24, 3.45 A)
&rst
ixpk= 4669, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 224, 225,
igr2= 220, 221, 222,
&end
#
# 0 AMB 20-2:4670 15 ILE QG2 2.60 (# 4670:20 Single Ambig)
&rst
ixpk= 4670, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.08, r4= 4.83,
igr1=1724,1725, 350, 351, 352,
igr2= 220, 221, 222,
&end
#
# 0 AMB 20-2:4671 15 ILE QG2 3.50 (# 4671:20 Single Ambig)
&rst
ixpk= 4671, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,1674,1675,1676,1678,1679,1680,
igr2= 220, 221, 222,
&end
#
# 0 AMB 20-2:4672 15 ILE QG2 2.60 (# 4672:20 Single Ambig)
&rst
ixpk= 4672, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.08, r4= 4.83,
igr1= 227, 228, 229, 224, 225,
igr2= 220, 221, 222,
&end
#
# 110 GLU HG- 109 ALA MB 5.50 (# 4673:20 Unique 3.43, 5.54 A)
&rst
ixpk= 4673, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1802,1803,
igr2=1789,1790,1791,
&end
#
# 110 GLU HB+ 109 ALA MB 5.50 (# 4675:20 Unique 4.51, 6.23 A)
&rst
ixpk= 4675, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1799,1800,
igr2=1789,1790,1791,
&end
#
# 111 ILE QD1 23 MET ME 3.50 (# 4676:20 Unique 1.99, 4.66 A)
&rst
ixpk= 4676, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1823,1824,1825,
igr2= 350, 351, 352,
&end
#
# 111 ILE QG2 23 MET ME 3.50 (# 4677:20 Unique 2.80, 6.00 A)
&rst
ixpk= 4677, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1816,1817,1818,
igr2= 350, 351, 352,
&end
#
# 0 AMB 20-2:4678 23 MET ME 3.50 (# 4678:20 Single Ambig)
&rst
ixpk= 4678, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1=1820,1821, 384, 385, 386,
igr2= 350, 351, 352,
&end
#
# 0 AMB 20-2:4679 23 MET ME 4.40 (# 4679:20 Single Ambig)
&rst
ixpk= 4679, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
igr2= 350, 351, 352,
&end
#
# 0 AMB 20-2:4680 23 MET ME 2.60 (# 4680:20 Single Ambig)
&rst
ixpk= 4680, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 900, 901, 902, 904, 905, 906, 900, 901, 902, 904,
905, 906,
igr2= 350, 351, 352,
&end
#
# 104 LEU MDX 23 MET ME 3.50 (# 4681:20 Unique 2.50, 5.60 A)
&rst
ixpk= 4681, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1729,1730,1731,1733,1734,1735,
igr2= 350, 351, 352,
&end
#
# 104 LEU MDY 23 MET ME 3.50 (# 4682:20 Unique 2.50, 5.60 A)
&rst
ixpk= 4682, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1729,1730,1731,1733,1734,1735,
igr2= 350, 351, 352,
&end
#
# 15 ILE HG1+ 23 MET ME 3.50 (# 4683:20 Unique 2.22, 3.61 A)
&rst
ixpk= 4683, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 224, 225,
igr2= 350, 351, 352,
&end
#
# 15 ILE HB 23 MET ME 4.40 (# 4684:20 Unique 2.18, 3.50 A)
&rst
ixpk= 4684, nxpk= 20, iat= 218, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2= 350, 351, 352,
&end
#
# 124 TRP HB- 23 MET ME 5.50 (# 4685:20 Unique 4.26, 6.29 A)
&rst
ixpk= 4685, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1999,2000,
igr2= 350, 351, 352,
&end
#
# 126 TRP HZ2 23 MET ME 5.50 (# 4689:20 Unique 2.09, 5.11 A)
&rst
ixpk= 4689, nxpk= 20, iat=2056, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 350, 351, 352,
&end
#
# 126 TRP HD1 23 MET ME 5.50 (# 4690:20 Unique 4.46, 6.06 A)
&rst
ixpk= 4690, nxpk= 20, iat=2051, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 350, 351, 352,
&end
#
# 155 VAL MGX 156 MET ME 3.50 (# 4694:20 Unique 2.00, 5.15 A)
&rst
ixpk= 4694, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2570,2571,2572,2574,2575,2576,
igr2=2591,2592,2593,
&end
#
# 155 VAL MGY 156 MET ME 3.50 (# 4695:20 Unique 2.00, 5.15 A)
&rst
ixpk= 4695, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2570,2571,2572,2574,2575,2576,
igr2=2591,2592,2593,
&end
#
# 152 ALA HA 156 MET ME 5.50 (# 4696:20 Unique 3.35, 4.45 A)
&rst
ixpk= 4696, nxpk= 20, iat=2529, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2591,2592,2593,
&end
#
# 0 AMB 20-2:4697 156 MET ME 4.40 (# 4697:20 Single Ambig)
&rst
ixpk= 4697, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1= 301, 302,2541,2542,2601,2602,
igr2=2591,2592,2593,
&end
#
# 153 SER HA 156 MET ME 4.40 (# 4698:20 Unique 3.44, 4.89 A)
&rst
ixpk= 4698, nxpk= 20, iat=2539, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=2591,2592,2593,
&end
#
# 156 MET HA 156 MET ME 4.40 (# 4699:20 Unique 2.72, 4.22 A)
&rst
ixpk= 4699, nxpk= 20, iat=2582, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=2591,2592,2593,
&end
#
# 129 TYR HD 156 MET ME 4.40 (# 4700:20 Unique 4.17, 5.67 A)
&rst
ixpk= 4700, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=2102,2111,
igr2=2591,2592,2593,
&end
#
# 0 AMB 20-2:4702 156 MET ME 5.50 (# 4702:20 Single Ambig)
&rst
ixpk= 4702, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2597,2527,2627,2115,
igr2=2591,2592,2593,
&end
#
# 156 MET HN 156 MET ME 3.50 (# 4703:20 Unique 2.39, 4.02 A)
&rst
ixpk= 4703, nxpk= 20, iat=2580, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=2591,2592,2593,
&end
#
# 130 TRP HE1 156 MET ME 5.50 (# 4704:20 Unique 3.02, 6.17 A)
&rst
ixpk= 4704, nxpk= 20, iat=2125, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=2591,2592,2593,
&end
#
# 43 GLY HN 1 MET ME 5.50 (# 4705:20 Unique 3.28, 5.31 A)
&rst
ixpk= 4705, nxpk= 20, iat= 663, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 15, 16, 17,
&end
#
# 3 ASP HN 1 MET ME 3.50 (# 4706:20 Unique 2.23, 3.55 A)
&rst
ixpk= 4706, nxpk= 20, iat= 40, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 15, 16, 17,
&end
#
# 3 ASP HA 1 MET ME 3.50 (# 4708:20 Unique 2.07, 3.24 A)
&rst
ixpk= 4708, nxpk= 20, iat= 42, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 15, 16, 17,
&end
#
# 42 PRO HA 1 MET ME 3.50 (# 4709:20 Unique 2.00, 3.35 A)
&rst
ixpk= 4709, nxpk= 20, iat= 659, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 15, 16, 17,
&end
#
# 0 AMB 20-2:4710 1 MET ME 4.40 (# 4710:20 Single Ambig)
&rst
ixpk= 4710, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 6, 23,
igr2= 15, 16, 17,
&end
#
# 9 PRO HD+ 1 MET ME 4.40 (# 4711:20 Unique 1.99, 4.21 A)
&rst
ixpk= 4711, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 129, 130,
igr2= 15, 16, 17,
&end
#
# 40 ILE QG2 1 MET ME 5.50 (# 4712:20 Unique 4.56, 7.46 A)
&rst
ixpk= 4712, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 622, 623, 624,
igr2= 15, 16, 17,
&end
#
# 0 AMB 20-2:4715 156 MET ME 5.50 (# 4715:20 Single Ambig)
&rst
ixpk= 4715, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2098,2099,2119,2120,
igr2=2591,2592,2593,
&end
#
# 50 MET HB- 50 MET ME 2.60 (# 4716:20 Unique 1.99, 3.49 A)
&rst
ixpk= 4716, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 752, 753,
igr2= 759, 760, 761,
&end
#
# 67 ILE QG2 50 MET ME 4.40 (# 4717:20 Unique 3.91, 5.69 A)
&rst
ixpk= 4717, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=1051,1052,1053,
igr2= 759, 760, 761,
&end
#
# 0 AMB 20-2:4718 50 MET ME 2.60 (# 4718:20 Single Ambig)
&rst
ixpk= 4718, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,
igr1=1058,1059,1060,1693,1694,1695,1697,1698,1699,
igr2= 759, 760, 761,
&end
#
# 0 AMB 20-2:4719 50 MET ME 3.50 (# 4719:20 Single Ambig)
&rst
ixpk= 4719, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1693,1694,1695,1697,1698,1699,1055,1056,
igr2= 759, 760, 761,
&end
#
# 0 AMB 20-2:4720 50 MET ME 2.60 (# 4720:20 Single Ambig)
&rst
ixpk= 4720, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1= 752, 753, 755, 756,1055,1056,
igr2= 759, 760, 761,
&end
#
# 0 AMB 20-2:4721 50 MET ME 4.40 (# 4721:20 Single Ambig)
&rst
ixpk= 4721, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 710, 711,1049, 160,
igr2= 759, 760, 761,
&end
#
# 47 GLU HG- 50 MET ME 2.60 (# 4722:20 Unique 2.39, 4.09 A)
&rst
ixpk= 4722, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 713, 714,
igr2= 759, 760, 761,
&end
#
# 0 AMB 20-2:4723 50 MET ME 3.50 (# 4723:20 Single Ambig)
&rst
ixpk= 4723, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 713, 714, 710, 711,
igr2= 759, 760, 761,
&end
#
# 100 PHE HB+ 50 MET ME 4.40 (# 4724:20 Unique 2.12, 3.74 A)
&rst
ixpk= 4724, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1649,1650,
igr2= 759, 760, 761,
&end
#
# 47 GLU HA 50 MET ME 3.50 (# 4725:20 Unique 2.01, 3.13 A)
&rst
ixpk= 4725, nxpk= 20, iat= 708, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 759, 760, 761,
&end
#
# 50 MET HA 50 MET ME 5.50 (# 4726:20 Unique 4.77, 5.63 A)
&rst
ixpk= 4726, nxpk= 20, iat= 750, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 759, 760, 761,
&end
#
# 51 TYR HB+ 50 MET ME 5.50 (# 4727:20 Unique 4.75, 6.74 A)
&rst
ixpk= 4727, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 769, 770,
igr2= 759, 760, 761,
&end
#
# 0 AMB 20-2:4728 50 MET ME 4.40 (# 4728:20 Single Ambig)
&rst
ixpk= 4728, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 767,1047,
igr2= 759, 760, 761,
&end
#
# 51 TYR HE 50 MET ME 3.50 (# 4729:20 Unique 2.03, 5.11 A)
&rst
ixpk= 4729, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 775, 780,
igr2= 759, 760, 761,
&end
#
# 0 AMB 20-2:4730 50 MET ME 3.50 (# 4730:20 Single Ambig)
&rst
ixpk= 4730, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 773, 782,1653,1661,
igr2= 759, 760, 761,
&end
#
# 51 TYR HN 50 MET ME 3.50 (# 4731:20 Unique 3.48, 4.98 A)
&rst
ixpk= 4731, nxpk= 20, iat= 765, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 759, 760, 761,
&end
#
# 0 AMB 20-2:4732 50 MET ME 4.40 (# 4732:20 Single Ambig)
&rst
ixpk= 4732, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 748, 786,
igr2= 759, 760, 761,
&end
#
# 68 LEU HN 67 ILE QD1 5.50 (# 4736:20 Unique 5.49, 6.20 A)
&rst
ixpk= 4736, nxpk= 20, iat=1064, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2=1058,1059,1060,
&end
#
# 16 CYS HN 15 ILE QD1 4.40 (# 4737:20 Unique 3.75, 4.78 A)
&rst
ixpk= 4737, nxpk= 20, iat= 233, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2= 227, 228, 229,
&end
#
# 15 ILE HN 15 ILE QD1 5.50 (# 4738:20 Unique 2.85, 3.92 A)
&rst
ixpk= 4738, nxpk= 20, iat= 214, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 227, 228, 229,
&end
#
# 0 AMB 20-2:4739 15 ILE QD1 5.50 (# 4739:20 Single Ambig)
&rst
ixpk= 4739, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 339, 825,
igr2= 227, 228, 229,
&end
#
# 15 ILE HA 15 ILE QD1 3.50 (# 4740:20 Unique 2.01, 2.90 A)
&rst
ixpk= 4740, nxpk= 20, iat= 216, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 227, 228, 229,
&end
#
# 15 ILE HB 15 ILE QD1 3.50 (# 4741:20 Unique 3.58, 3.92 A)
&rst
ixpk= 4741, nxpk= 20, iat= 218, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2= 227, 228, 229,
&end
#
# 102 LEU HG 15 ILE QD1 4.40 (# 4742:20 Unique 1.97, 2.86 A)
&rst
ixpk= 4742, nxpk= 20, iat=1691, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2= 227, 228, 229,
&end
#
# 0 AMB 20-2:4743 15 ILE QD1 5.50 (# 4743:20 Single Ambig)
&rst
ixpk= 4743, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1724,1725, 575, 576,
igr2= 227, 228, 229,
&end
#
# 0 AMB 20-2:4744 15 ILE QD1 4.40 (# 4744:20 Single Ambig)
&rst
ixpk= 4744, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1009, 202, 829, 830,
igr2= 227, 228, 229,
&end
#
# 0 AMB 20-2:4745 15 ILE QD1 5.50 (# 4745:20 Single Ambig)
&rst
ixpk= 4745, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 898, 886, 887, 327,
igr2= 227, 228, 229,
&end
#
# 0 AMB 20-2:4746 15 ILE QD1 3.50 (# 4746:20 Single Ambig)
&rst
ixpk= 4746, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
igr1= 350, 351, 352,1724,1725, 189, 190,
igr2= 227, 228, 229,
&end
#
# 104 LEU MDY 15 ILE QD1 3.50 (# 4747:20 Unique 3.41, 6.62 A)
&rst
ixpk= 4747, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1729,1730,1731,1733,1734,1735,
igr2= 227, 228, 229,
&end
#
# 0 AMB 20-2:4748 15 ILE QD1 2.60 (# 4748:20 Single Ambig)
&rst
ixpk= 4748, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1688,1689, 224, 225,
igr2= 227, 228, 229,
&end
#
# 0 AMB 20-2:4749 15 ILE QD1 5.50 (# 4749:20 Single Ambig)
&rst
ixpk= 4749, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 204, 205, 206, 208, 209, 210,1820,1821,
igr2= 227, 228, 229,
&end
#
# 147 VAL MGX 14 VAL MGY 5.50 (# 4750:20 Unique 3.99, 7.22 A)
&rst
ixpk= 4750, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=2443,2444,2445,2447,2448,2449,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 99 TRP HE1 147 VAL MGY 5.50 (# 4751:20 Unique 2.45, 4.51 A)
&rst
ixpk= 4751, nxpk= 20, iat=1631, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 20-2:4752 0 AMB 20-1:4752 3.50 (# 4752:20 Double Ambig)
&rst
ixpk= 4752, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.32, r4= 8.07,
igr1=2304,2305,2464,2465,2466,2167,2168,
igr2=2358,2359,2360,2362,2363,2364,2180,2181,2182,2184,
2185,2186,
&end
#
# 133 VAL HA 133 VAL MGY 3.50 (# 4753:20 Unique 1.99, 3.13 A)
&rst
ixpk= 4753, nxpk= 20, iat=2176, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2180,2181,2182,2184,2185,2186,
&end
#
# 0 AMB 20-2:4754 0 AMB 20-1:4754 4.40 (# 4754:20 Double Ambig)
&rst
ixpk= 4754, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.97, r4= 9.72,
igr1=2372,2373,2372,2373,2326,2327,
igr2=2180,2181,2182,2184,2185,2186,2358,2359,2360,2362,
2363,2364,
&end
#
# 0 AMB 20-2:4755 0 AMB 20-1:4755 5.50 (# 4755:20 Double Ambig)
&rst
ixpk= 4755, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.37, r4=11.12,
igr1=2340,2453,1093,
igr2=2358,2359,2360,2362,2363,2364,2180,2181,2182,2184,
2185,2186,1110,1111,1112,
&end
#
# 144 TYR HB- 0 AMB 20-1:4756 5.50 (# 4756:20 Single Ambig)
&rst
ixpk= 4756, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=2372,2373,
igr2=2180,2181,2182,2184,2185,2186,2358,2359,2360,2362,
2363,2364,
&end
#
# 0 AMB 20-2:4757 158 LEU MDY 3.50 (# 4757:20 Single Ambig)
&rst
ixpk= 4757, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1068,1069,1724,1725,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 0 AMB 20-2:4758 158 LEU MDY 4.40 (# 4758:20 Single Ambig)
&rst
ixpk= 4758, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1=1028,1029,1727,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 101 LEU MDY 158 LEU MDY 3.50 (# 4761:20 Unique 4.37, 7.50 A)
&rst
ixpk= 4761, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
igr1=1674,1675,1676,1678,1679,1680,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 0 AMB 20-2:4763 0 AMB 20-1:4763 5.50 (# 4763:20 Double Ambig)
&rst
ixpk= 4763, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2130, 852, 860,
igr2=2477,2478, 793, 794,
&end
#
# 54 LEU HN 54 LEU MDX 4.40 (# 4764:20 Unique 3.98, 5.13 A)
&rst
ixpk= 4764, nxpk= 20, iat= 825, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2= 834, 835, 836, 838, 839, 840,
&end
#
# 50 MET HG+ 13 ILE HG1+ 4.40 (# 4767:20 Unique 1.96, 4.37 A)
&rst
ixpk= 4767, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 755, 756,
igr2= 189, 190,
&end
#
# 27 ARG HN 27 ARG HG+ 5.50 (# 4768:20 Unique 2.20, 3.01 A)
&rst
ixpk= 4768, nxpk= 20, iat= 414, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 421, 422,
&end
#
# 0 AMB 20-2:4770 0 AMB 20-1:4770 3.50 (# 4770:20 Double Ambig)
&rst
ixpk= 4770, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 424, 425,1160,1161,
igr2= 421, 422,1206,1207,
&end
#
# 27 ARG HN 27 ARG HG- 5.50 (# 4772:20 Unique 2.20, 3.01 A)
&rst
ixpk= 4772, nxpk= 20, iat= 414, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 421, 422,
&end
#
# 0 AMB 20-2:4774 27 ARG HG- 5.50 (# 4774:20 Single Ambig)
&rst
ixpk= 4774, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 446, 454, 559, 567,
igr2= 421, 422,
&end
#
# 0 AMB 20-2:4775 27 ARG HG- 5.50 (# 4775:20 Single Ambig)
&rst
ixpk= 4775, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 458, 609,
igr2= 421, 422,
&end
#
# 0 AMB 20-2:4776 0 AMB 20-1:4776 4.40 (# 4776:20 Double Ambig)
&rst
ixpk= 4776, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1199,1223,
igr2=1206,1207,1206,1207,
&end
#
# 76 ARG HD+ 76 ARG HG+ 5.50 (# 4777:20 Unique 2.22, 2.71 A)
&rst
ixpk= 4777, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1209,1210,
igr2=1206,1207,
&end
#
# 0 AMB 20-2:4778 0 AMB 20-1:4778 5.50 (# 4778:20 Double Ambig)
&rst
ixpk= 4778, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1209,1210,1550,1551,1586,1587,
igr2=1206,1207,1206,1207,1206,1207,
&end
#
# 0 AMB 20-2:4779 0 AMB 20-1:4779 5.50 (# 4779:20 Double Ambig)
&rst
ixpk= 4779, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.00, r4=11.75,
igr1= 472, 473,1209,1210,1550,1551,1586,1587,
igr2= 421, 422,1206,1207,1206,1207,1206,1207,
&end
#
# 77 TYR HN 76 ARG HG- 5.50 (# 4781:20 Unique 2.36, 4.60 A)
&rst
ixpk= 4781, nxpk= 20, iat=1223, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1206,1207,
&end
#
# 103 GLN HN 103 GLN HB- 5.50 (# 4796:20 Unique 2.09, 2.73 A)
&rst
ixpk= 4796, nxpk= 20, iat=1703, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1707,1708,
&end
#
# 0 AMB 20-2:4797 0 AMB 20-1:4797 5.50 (# 4797:20 Double Ambig)
&rst
ixpk= 4797, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 900, 901, 902, 904, 905, 906, 185, 186, 187,
igr2= 578, 579, 578, 579,
&end
#
# 83 LEU HN 80 PRO HB- 5.50 (# 4800:20 Unique 3.37, 4.45 A)
&rst
ixpk= 4800, nxpk= 20, iat=1345, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1292,1293,
&end
#
# 9 PRO HG+ 9 PRO HB- 2.60 (# 4801:20 Unique 2.32, 2.58 A)
&rst
ixpk= 4801, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 132, 133,
igr2= 135, 136,
&end
#
# 147 VAL MGX 99 TRP HB+ 5.50 (# 4802:20 Unique 1.99, 4.09 A)
&rst
ixpk= 4802, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2443,2444,2445,2447,2448,2449,
igr2=1625,1626,
&end
#
# 99 TRP HE3 99 TRP HB+ 5.50 (# 4803:20 Unique 2.59, 3.51 A)
&rst
ixpk= 4803, nxpk= 20, iat=1640, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1625,1626,
&end
#
# 9 PRO HA 9 PRO HB- 5.50 (# 4804:20 Unique 2.30, 2.51 A)
&rst
ixpk= 4804, nxpk= 20, iat= 138, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 135, 136,
&end
#
# 148 MET HN 148 MET HG- 4.40 (# 4806:20 Unique 2.20, 3.04 A)
&rst
ixpk= 4806, nxpk= 20, iat=2453, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2460,2461,
&end
#
# 148 MET HN 148 MET HG+ 2.60 (# 4807:20 Unique 2.20, 3.04 A)
&rst
ixpk= 4807, nxpk= 20, iat=2453, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2460,2461,
&end
#
# 10 ASN HN 9 PRO HB- 5.50 (# 4811:20 Unique 3.05, 3.58 A)
&rst
ixpk= 4811, nxpk= 20, iat= 142, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 135, 136,
&end
#
# 0 AMB 20-2:4812 0 AMB 20-1:4812 4.40 (# 4812:20 Double Ambig)
&rst
ixpk= 4812, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.80, r4= 9.55,
igr1=2417,2418,2496,2497,2420,2421,1586,1587,
igr2=2460,2461,2460,2461,2460,2461,2460,2461,
&end
#
# 0 AMB 20-2:4814 97 GLN HB- 5.50 (# 4814:20 Single Ambig)
&rst
ixpk= 4814, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1631,1582,
igr2=1586,1587,
&end
#
# 17 ASN HD2+ 21 GLN HG- 3.50 (# 4815:20 Unique 1.95, 3.97 A)
&rst
ixpk= 4815, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 253, 254,
igr2= 313, 314,
&end
#
# 21 GLN HN 21 GLN HG- 4.40 (# 4816:20 Unique 1.94, 3.20 A)
&rst
ixpk= 4816, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 313, 314,
&end
#
# 22 VAL HN 21 GLN HG- 5.50 (# 4817:20 Unique 3.90, 4.76 A)
&rst
ixpk= 4817, nxpk= 20, iat= 323, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 313, 314,
&end
#
# 0 AMB 20-2:4818 0 AMB 20-1:4818 4.40 (# 4818:20 Double Ambig)
&rst
ixpk= 4818, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.45, r4=10.20,
igr1=1937,1406,2697,1442,2085,1915, 846,
igr2=1867,1868,1483,1484,2634,2635,1483,1484,2634,2635,
1867,1868,1867,1868,
&end
#
# 0 AMB 20-2:4819 0 AMB 20-1:4819 2.60 (# 4819:20 Double Ambig)
&rst
ixpk= 4819, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 689, 690, 723,
igr2= 728, 729, 728, 729,
&end
#
# 48 GLN HE2- 48 GLN HG+ 2.60 (# 4820:20 Unique 2.12, 3.26 A)
&rst
ixpk= 4820, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 733, 734,
igr2= 728, 729,
&end
#
# 48 GLN HE2+ 48 GLN HG+ 2.60 (# 4821:20 Unique 2.12, 3.26 A)
&rst
ixpk= 4821, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 733, 734,
igr2= 728, 729,
&end
#
# 48 GLN HN 48 GLN HG+ 3.50 (# 4822:20 Unique 1.98, 2.93 A)
&rst
ixpk= 4822, nxpk= 20, iat= 721, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 728, 729,
&end
#
# 45 SER HN 48 GLN HG+ 4.40 (# 4823:20 Unique 2.55, 3.33 A)
&rst
ixpk= 4823, nxpk= 20, iat= 685, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 728, 729,
&end
#
# 48 GLN HB+ 48 GLN HG+ 2.60 (# 4824:20 Unique 2.34, 2.57 A)
&rst
ixpk= 4824, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 725, 726,
igr2= 728, 729,
&end
#
# 47 GLU HB- 48 GLN HG+ 3.50 (# 4825:20 Unique 3.35, 5.13 A)
&rst
ixpk= 4825, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 710, 711,
igr2= 728, 729,
&end
#
# 111 ILE HN 110 GLU HG- 5.50 (# 4826:20 Unique 4.06, 5.02 A)
&rst
ixpk= 4826, nxpk= 20, iat=1810, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1802,1803,
&end
#
# 127 VAL MGY 127 VAL HB 3.50 (# 4827:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4827, nxpk= 20, iat= -1,2071, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2073,2074,2075,2077,2078,2079,
&end
#
# 127 VAL MGX 127 VAL HB 3.50 (# 4828:20 Unique 2.22, 2.63 A)
&rst
ixpk= 4828, nxpk= 20, iat= -1,2071, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2073,2074,2075,2077,2078,2079,
&end
#
# 41 ASN HD2+ 41 ASN HB- 5.50 (# 4831:20 Unique 2.12, 3.15 A)
&rst
ixpk= 4831, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 644, 645,
igr2= 639, 640,
&end
#
# 65 VAL HA 65 VAL HB 3.50 (# 4834:20 Unique 2.48, 2.63 A)
&rst
ixpk= 4834, nxpk= 20, iat=1007,1009, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 LYS HD+ 7 TYR HB+ 5.50 (# 4836:20 Unique 2.45, 5.53 A)
&rst
ixpk= 4836, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1570,1571,
igr2= 87, 88,
&end
#
# 84 VAL MGX 93 ILE HB 5.50 (# 4838:20 Unique 4.87, 6.13 A)
&rst
ixpk= 4838, nxpk= 20, iat= -1,1521, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1370,1371,1372,1374,1375,1376,
&end
#
# 86 TRP HN 87 ASP HB- 5.50 (# 4839:20 Unique 3.83, 4.63 A)
&rst
ixpk= 4839, nxpk= 20, iat=1404, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1432,1433,
&end
#
# 0 AMB 20-2:4842 0 AMB 20-1:4842 5.50 (# 4842:20 Double Ambig)
&rst
ixpk= 4842, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1883,1884,1885, 900, 901, 902, 904, 905, 906,
igr2=1833,1834,1833,1834,
&end
#
# 59 GLY HA+ 112 ASN HB+ 4.40 (# 4844:20 Unique 1.98, 3.28 A)
&rst
ixpk= 4844, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 912, 913,
igr2=1833,1834,
&end
#
# 112 ASN HD2- 112 ASN HB+ 5.50 (# 4846:20 Unique 2.14, 3.30 A)
&rst
ixpk= 4846, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1838,1839,
igr2=1833,1834,
&end
#
# 5 ASP HN 4 ASP HB+ 4.40 (# 4854:20 Unique 1.74, 3.78 A)
&rst
ixpk= 4854, nxpk= 20, iat= 64, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 56, 57,
&end
#
# 72 ARG HN 73 ASN HB- 5.50 (# 4859:20 Unique 4.22, 5.26 A)
&rst
ixpk= 4859, nxpk= 20, iat=1118, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1146,1147,
&end
#
# 0 AMB 20-2:4860 0 AMB 20-1:4860 5.50 (# 4860:20 Double Ambig)
&rst
ixpk= 4860, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1= 15, 16, 17, 87, 88,
igr2= 44, 45, 44, 45,
&end
#
# 96 LYS HE+ 98 LYS HE- 4.40 (# 4862:20 Unique 2.20, 8.20 A)
&rst
ixpk= 4862, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1573,1574,
igr2=1612,1613,
&end
#
# 52 ARG HE 52 ARG HD+ 5.50 (# 4865:20 Unique 2.28, 2.66 A)
&rst
ixpk= 4865, nxpk= 20, iat= 799, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 796, 797,
&end
#
# 52 ARG HB- 52 ARG HD- 5.50 (# 4867:20 Unique 1.99, 3.24 A)
&rst
ixpk= 4867, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 790, 791,
igr2= 796, 797,
&end
#
# 52 ARG HA 52 ARG HD- 5.50 (# 4868:20 Unique 3.73, 4.71 A)
&rst
ixpk= 4868, nxpk= 20, iat= 788, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 796, 797,
&end
#
# 87 ASP HB+ 85 ARG HD+ 5.50 (# 4869:20 Unique 3.45, 4.60 A)
&rst
ixpk= 4869, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1432,1433,
igr2=1390,1391,
&end
#
# 27 ARG HG+ 27 ARG HD- 5.50 (# 4870:20 Unique 2.22, 2.71 A)
&rst
ixpk= 4870, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 421, 422,
igr2= 424, 425,
&end
#
# 104 LEU HA 104 LEU HB- 5.50 (# 4871:20 Unique 2.51, 2.80 A)
&rst
ixpk= 4871, nxpk= 20, iat=1722, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1724,1725,
&end
#
# 7 TYR HE 76 ARG HD- 5.50 (# 4872:20 Unique 2.49, 6.13 A)
&rst
ixpk= 4872, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 93, 98,
igr2=1209,1210,
&end
#
# 99 TRP HD1 75 LEU HB- 5.50 (# 4877:20 Unique 3.58, 4.65 A)
&rst
ixpk= 4877, nxpk= 20, iat=1629, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1184,1185,
&end
#
# 0 AMB 20-2:4880 0 AMB 20-1:4880 5.50 (# 4880:20 Double Ambig)
&rst
ixpk= 4880, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 589, 590, 589, 590,
igr2= 174, 175, 174, 175,
&end
#
# 77 TYR HE 75 LEU HB+ 5.50 (# 4882:20 Unique 5.53, 8.85 A)
&rst
ixpk= 4882, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1233,1238,
igr2=1184,1185,
&end
#
# 60 LEU HN 60 LEU HB- 5.50 (# 4883:20 Unique 2.12, 2.74 A)
&rst
ixpk= 4883, nxpk= 20, iat= 917, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 921, 922,
&end
#
# 33 TRP HZ2 125 ARG HD- 5.50 (# 4884:20 Unique 2.45, 4.72 A)
&rst
ixpk= 4884, nxpk= 20, iat= 523, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2029,2030,
&end
#
# 33 TRP HH2 125 ARG HD+ 4.40 (# 4885:20 Unique 2.03, 3.48 A)
&rst
ixpk= 4885, nxpk= 20, iat= 525, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2029,2030,
&end
#
# 125 ARG HE 125 ARG HD+ 5.50 (# 4886:20 Unique 2.27, 2.64 A)
&rst
ixpk= 4886, nxpk= 20, iat=2032, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2029,2030,
&end
#
# 2 ILE QG2 6 GLY HA+ 3.50 (# 4888:20 Unique 1.96, 3.39 A)
&rst
ixpk= 4888, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 27, 28, 29,
igr2= 78, 79,
&end
#
# 0 AMB 20-2:4890 39 GLY HA- 5.50 (# 4890:20 Single Ambig)
&rst
ixpk= 4890, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 626, 627, 620, 742, 743, 744,
igr2= 611, 612,
&end
#
# 0 AMB 20-2:4891 0 AMB 20-1:4891 5.50 (# 4891:20 Double Ambig)
&rst
ixpk= 4891, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.17, r4=10.92,
igr1= 626, 627, 742, 743, 744,
igr2= 611, 612, 611, 612, 604, 605, 604, 605,
&end
#
# 30 GLN HB- 29 GLY HA- 5.50 (# 4892:20 Unique 4.46, 5.50 A)
&rst
ixpk= 4892, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 469, 470,
igr2= 460, 461,
&end
#
# 78 LYS HA 94 GLY HA- 3.50 (# 4896:20 Unique 2.99, 3.53 A)
&rst
ixpk= 4896, nxpk= 20, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1538,1539,
&end
#
# 79 LEU HG 94 GLY HA- 5.50 (# 4897:20 Unique 3.84, 4.74 A)
&rst
ixpk= 4897, nxpk= 20, iat=1273, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1538,1539,
&end
#
# 0 AMB 20-2:4898 20 GLY HA- 3.50 (# 4898:20 Single Ambig)
&rst
ixpk= 4898, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2570,2571,2572,2574,2575,2576,2617,2618,2619,2621,
2622,2623,
igr2= 301, 302,
&end
#
# 0 AMB 20-2:4899 0 AMB 20-1:4899 2.60 (# 4899:20 Double Ambig)
&rst
ixpk= 4899, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.96, r4= 5.71,
igr1=2570,2571,2572,2574,2575,2576,2617,2618,2619,2621,
2622,2623,
igr2= 301, 302, 301, 302,
&end
#
# 42 PRO HD+ 41 ASN HA 2.60 (# 4905:20 Unique 2.35, 2.45 A)
&rst
ixpk= 4905, nxpk= 20, iat= -1, 637, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 650, 651,
&end
#
# 42 PRO HD- 41 ASN HA 3.50 (# 4906:20 Unique 2.35, 2.45 A)
&rst
ixpk= 4906, nxpk= 20, iat= -1, 637, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 650, 651,
&end
#
# 41 ASN HB+ 41 ASN HA 3.50 (# 4907:20 Unique 2.25, 2.82 A)
&rst
ixpk= 4907, nxpk= 20, iat= -1, 637, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 639, 640,
&end
#
# 41 ASN HB- 41 ASN HA 3.50 (# 4908:20 Unique 2.25, 2.82 A)
&rst
ixpk= 4908, nxpk= 20, iat= -1, 637, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 639, 640,
&end
#
# 0 AMB 20-2:4909 41 ASN HA 3.50 (# 4909:20 Single Ambig)
&rst
ixpk= 4909, nxpk= 20, iat= -1, 637, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 8, 9, 674, 675, 653, 654, 677, 678,
&end
#
# 0 AMB 20-2:4910 41 ASN HA 5.50 (# 4910:20 Single Ambig)
&rst
ixpk= 4910, nxpk= 20, iat= -1, 637, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 656, 657, 135, 136,
&end
#
# 98 LYS HD+ 98 LYS HA 5.50 (# 4918:20 Unique 2.58, 4.05 A)
&rst
ixpk= 4918, nxpk= 20, iat= -1,1601, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1609,1610,
&end
#
# 99 TRP HD1 98 LYS HA 5.50 (# 4919:20 Unique 3.84, 4.41 A)
&rst
ixpk= 4919, nxpk= 20, iat=1629,1601, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 1 MET ME 1 MET HA 5.50 (# 4921:20 Unique 2.24, 4.50 A)
&rst
ixpk= 4921, nxpk= 20, iat= -1, 6, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 15, 16, 17,
&end
#
# 97 GLN HN 76 ARG HA 5.50 (# 4922:20 Unique 2.47, 3.92 A)
&rst
ixpk= 4922, nxpk= 20, iat=1582,1201, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:4923 76 ARG HA 2.60 (# 4923:20 Single Ambig)
&rst
ixpk= 4923, nxpk= 20, iat= -1,1201, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1223,1199,
&end
#
# 96 LYS HA 76 ARG HA 5.50 (# 4924:20 Unique 1.98, 4.12 A)
&rst
ixpk= 4924, nxpk= 20, iat=1562,1201, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 76 ARG HB- 76 ARG HA 5.50 (# 4925:20 Unique 2.31, 2.49 A)
&rst
ixpk= 4925, nxpk= 20, iat= -1,1201, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1203,1204,
&end
#
# 76 ARG HG- 76 ARG HA 5.50 (# 4926:20 Unique 2.35, 3.74 A)
&rst
ixpk= 4926, nxpk= 20, iat= -1,1201, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1206,1207,
&end
#
# 0 AMB 20-2:4927 142 ASP HA 5.50 (# 4927:20 Single Ambig)
&rst
ixpk= 4927, nxpk= 20, iat= -1,2342, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2323,2324,2320,2321,2396,2397,
&end
#
# 131 TYR HN 131 TYR HA 5.50 (# 4928:20 Unique 2.73, 2.83 A)
&rst
ixpk= 4928, nxpk= 20, iat=2139,2141, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 138 SER HA 138 SER HB- 2.60 (# 4929:20 Unique 2.24, 2.66 A)
&rst
ixpk= 4929, nxpk= 20, iat=2265, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2267,2268,
&end
#
# 120 GLU HN 119 PRO HA 2.60 (# 4930:20 Unique 2.15, 2.22 A)
&rst
ixpk= 4930, nxpk= 20, iat=1941,1937, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 116 SER HB- 119 PRO HA 5.50 (# 4931:20 Unique 3.62, 4.34 A)
&rst
ixpk= 4931, nxpk= 20, iat= -1,1937, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1895,1896,
&end
#
# 119 PRO HB- 119 PRO HA 2.60 (# 4932:20 Unique 2.30, 2.51 A)
&rst
ixpk= 4932, nxpk= 20, iat= -1,1937, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1934,1935,
&end
#
# 119 PRO HB+ 119 PRO HA 2.60 (# 4933:20 Unique 2.30, 2.51 A)
&rst
ixpk= 4933, nxpk= 20, iat= -1,1937, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1934,1935,
&end
#
# 0 AMB 20-2:4934 119 PRO HA 5.50 (# 4934:20 Single Ambig)
&rst
ixpk= 4934, nxpk= 20, iat= -1,1937, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1931,1932,1948,1949,
&end
#
# 119 PRO HG+ 119 PRO HA 3.50 (# 4935:20 Unique 3.85, 3.94 A)
&rst
ixpk= 4935, nxpk= 20, iat= -1,1937, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1931,1932,
&end
#
# 129 TYR HB+ 128 SER HB+ 5.50 (# 4938:20 Unique 4.20, 6.17 A)
&rst
ixpk= 4938, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2098,2099,
igr2=2087,2088,
&end
#
# 0 AMB 20-2:4941 116 SER HB- 5.50 (# 4941:20 Single Ambig)
&rst
ixpk= 4941, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1934,1935, 868, 869,1864,1865,
igr2=1895,1896,
&end
#
# 0 AMB 20-2:4945 88 THR HB 5.50 (# 4945:20 Single Ambig)
&rst
ixpk= 4945, nxpk= 20, iat= -1,1444, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1456,1382,
&end
#
# 23 MET HN 23 MET HA 5.50 (# 4946:20 Unique 2.80, 2.91 A)
&rst
ixpk= 4946, nxpk= 20, iat= 339, 341, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 GLN HB+ 34 GLN HA 5.50 (# 4948:20 Unique 2.37, 2.79 A)
&rst
ixpk= 4948, nxpk= 20, iat= -1, 536, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 538, 539,
&end
#
# 126 TRP HD1 0 AMB 20-1:4949 5.50 (# 4949:20 Single Ambig)
&rst
ixpk= 4949, nxpk= 20, iat=2051, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1999,2000,2047,2048,
&end
#
# 124 TRP HA 124 TRP HB+ 5.50 (# 4950:20 Unique 2.37, 2.54 A)
&rst
ixpk= 4950, nxpk= 20, iat=1997, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1999,2000,
&end
#
# 113 MET ME 124 TRP HB+ 5.50 (# 4952:20 Unique 2.83, 4.60 A)
&rst
ixpk= 4952, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1854,1855,1856,
igr2=1999,2000,
&end
#
# 124 TRP HN 124 TRP HB+ 5.50 (# 4953:20 Unique 2.26, 3.25 A)
&rst
ixpk= 4953, nxpk= 20, iat=1995, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1999,2000,
&end
#
# 1 MET ME 1 MET HB+ 2.60 (# 4954:20 Unique 2.07, 4.69 A)
&rst
ixpk= 4954, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 15, 16, 17,
igr2= 8, 9,
&end
#
# 0 AMB 20-2:4955 0 AMB 20-1:4955 4.40 (# 4955:20 Double Ambig)
&rst
ixpk= 4955, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
igr1=2358,2359,2360,2362,2363,2364, 629, 630, 631, 622,
623, 624,
igr2=1589,1590, 8, 9,
&end
#
# 0 AMB 20-2:4956 0 AMB 20-1:4956 4.40 (# 4956:20 Double Ambig)
&rst
ixpk= 4956, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.28, r4=10.03,
igr1= 34, 35, 36,1567,1568, 626, 627, 626, 627, 626,
627,
igr2= 8, 9,1589,1590, 592, 593, 8, 9,
&end
#
# 2 ILE HN 1 MET HB+ 5.50 (# 4957:20 Unique 2.16, 4.03 A)
&rst
ixpk= 4957, nxpk= 20, iat= 21, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 8, 9,
&end
#
# 1 MET HG+ 1 MET ME 4.40 (# 4958:20 Unique 2.08, 3.43 A)
&rst
ixpk= 4958, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 11, 12,
igr2= 15, 16, 17,
&end
#
# 1 MET HG- 1 MET ME 3.50 (# 4959:20 Unique 2.08, 3.43 A)
&rst
ixpk= 4959, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 11, 12,
igr2= 15, 16, 17,
&end
#
# 3 ASP HB+ 1 MET ME 4.40 (# 4960:20 Unique 2.35, 4.63 A)
&rst
ixpk= 4960, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 44, 45,
igr2= 15, 16, 17,
&end
#
# 0 AMB 20-2:4962 2 ILE HB 3.50 (# 4962:20 Single Ambig)
&rst
ixpk= 4962, nxpk= 20, iat= -1, 25, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1483,1484,1480,1481,
&end
#
# 2 ILE QD1 2 ILE HB 3.50 (# 4963:20 Unique 2.04, 2.86 A)
&rst
ixpk= 4963, nxpk= 20, iat= -1, 25, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 34, 35, 36,
&end
#
# 3 ASP HA 4 ASP HA 5.50 (# 4964:20 Unique 4.30, 4.42 A)
&rst
ixpk= 4964, nxpk= 20, iat= 42, 54, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 5 ASP HN 5 ASP HB- 3.50 (# 4965:20 Unique 2.11, 2.79 A)
&rst
ixpk= 4965, nxpk= 20, iat= 64, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 68, 69,
&end
#
# 5 ASP HN 5 ASP HB- 3.50 (# 4966:20 Unique 2.11, 2.79 A)
&rst
ixpk= 4966, nxpk= 20, iat= 64, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 68, 69,
&end
#
# 108 ASP HA 108 ASP HB+ 3.50 (# 4967:20 Unique 2.30, 2.47 A)
&rst
ixpk= 4967, nxpk= 20, iat=1775, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1777,1778,
&end
#
# 93 ILE QD1 6 GLY HA+ 4.40 (# 4968:20 Unique 1.98, 3.26 A)
&rst
ixpk= 4968, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1530,1531,1532,
igr2= 78, 79,
&end
#
# 7 TYR HN 6 GLY HA- 5.50 (# 4969:20 Unique 2.95, 3.25 A)
&rst
ixpk= 4969, nxpk= 20, iat= 83, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 78, 79,
&end
#
# 7 TYR HN 6 GLY HA+ 5.50 (# 4970:20 Unique 2.95, 3.25 A)
&rst
ixpk= 4970, nxpk= 20, iat= 83, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 78, 79,
&end
#
# 0 AMB 20-2:4971 0 AMB 20-1:4971 5.50 (# 4971:20 Double Ambig)
&rst
ixpk= 4971, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1=1527,1528,1530,1531,1532,1606,1607,
igr2= 85,1158,
&end
#
# 7 TYR HN 7 TYR HA 5.50 (# 4973:20 Unique 2.84, 2.93 A)
&rst
ixpk= 4973, nxpk= 20, iat= 83, 85, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 163 PRO HD+ 163 PRO HB- 4.40 (# 4974:20 Unique 2.98, 3.70 A)
&rst
ixpk= 4974, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2688,2689,
igr2=2694,2695,
&end
#
# 0 AMB 20-2:4975 0 AMB 20-1:4975 4.40 (# 4975:20 Double Ambig)
&rst
ixpk= 4975, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.98, r4= 7.73,
igr1=2703, 665, 666,2610,
igr2=2691,2692, 132, 133,
&end
#
# 9 PRO HA 9 PRO HB- 5.50 (# 4976:20 Unique 2.30, 2.51 A)
&rst
ixpk= 4976, nxpk= 20, iat= 138, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 135, 136,
&end
#
# 11 VAL MGX 9 PRO HB- 4.40 (# 4977:20 Unique 4.41, 6.99 A)
&rst
ixpk= 4977, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 162, 163, 164, 166, 167, 168,
igr2= 135, 136,
&end
#
# 9 PRO HB+ 9 PRO HG- 2.60 (# 4979:20 Unique 2.32, 2.58 A)
&rst
ixpk= 4979, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 135, 136,
igr2= 132, 133,
&end
#
# 10 ASN HN 10 ASN HA 5.50 (# 4980:20 Unique 2.92, 2.94 A)
&rst
ixpk= 4980, nxpk= 20, iat= 142, 144, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:4981 11 VAL HA 4.40 (# 4981:20 Single Ambig)
&rst
ixpk= 4981, nxpk= 20, iat= -1, 158, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1623, 138,
&end
#
# 11 VAL HB 11 VAL MGX 2.60 (# 4983:20 Unique 2.26, 2.63 A)
&rst
ixpk= 4983, nxpk= 20, iat= 160, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 20-2:4984 12 GLY HA- 5.50 (# 4984:20 Single Ambig)
&rst
ixpk= 4984, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.58, r4=10.33,
igr1= 185, 186, 187, 227, 228, 229, 834, 835, 836, 838,
839, 840,1609,1610,
igr2= 174, 175,
&end
#
# 13 ILE HN 0 AMB 20-1:4985 4.40 (# 4985:20 Single Ambig)
&rst
ixpk= 4985, nxpk= 20, iat= 179, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr2= 174, 175, 174, 175,
&end
#
# 13 ILE HN 0 AMB 20-1:4986 3.50 (# 4986:20 Single Ambig)
&rst
ixpk= 4986, nxpk= 20, iat= 179, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 174, 175, 174, 175,
&end
#
# 36 PRO HB- 13 ILE HB 3.50 (# 4987:20 Unique 2.67, 3.89 A)
&rst
ixpk= 4987, nxpk= 20, iat= -1, 183, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 578, 579,
&end
#
# 0 AMB 20-2:4988 13 ILE HB 5.50 (# 4988:20 Single Ambig)
&rst
ixpk= 4988, nxpk= 20, iat= -1, 183, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 189, 190, 350, 351, 352,
&end
#
# 17 ASN HN 17 ASN HA 3.50 (# 4990:20 Unique 2.90, 2.94 A)
&rst
ixpk= 4990, nxpk= 20, iat= 244, 246, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:4991 0 AMB 20-1:4991 4.40 (# 4991:20 Double Ambig)
&rst
ixpk= 4991, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1028,1029, 265, 266,
igr2=1066, 284,
&end
#
# 0 AMB 20-2:4992 0 AMB 20-1:4992 2.60 (# 4992:20 Double Ambig)
&rst
ixpk= 4992, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1= 677, 678, 289, 290, 674, 675,
igr2= 725, 726, 286, 287,
&end
#
# 19 GLN HG+ 19 GLN HB- 2.60 (# 4993:20 Unique 2.26, 2.58 A)
&rst
ixpk= 4993, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 289, 290,
igr2= 286, 287,
&end
#
# 95 GLN HN 94 GLY HA+ 3.50 (# 4994:20 Unique 2.19, 2.61 A)
&rst
ixpk= 4994, nxpk= 20, iat=1543, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1538,1539,
&end
#
# 0 AMB 20-2:4996 25 ALA HA 5.50 (# 4996:20 Single Ambig)
&rst
ixpk= 4996, nxpk= 20, iat= -1, 382, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1999,2000,1980,1981,
&end
#
# 0 AMB 20-2:4997 25 ALA HA 5.50 (# 4997:20 Single Ambig)
&rst
ixpk= 4997, nxpk= 20, iat= -1, 382, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1960,1961, 514, 515, 392,
&end
#
# 0 AMB 20-2:4998 0 AMB 20-1:4998 3.50 (# 4998:20 Double Ambig)
&rst
ixpk= 4998, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 871, 872, 442, 443,
igr2= 866, 440,
&end
#
# 28 PHE HB+ 28 PHE HA 5.50 (# 4999:20 Unique 2.58, 2.82 A)
&rst
ixpk= 4999, nxpk= 20, iat= -1, 440, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 442, 443,
&end
#
# 28 PHE HD 28 PHE HA 5.50 (# 5000:20 Unique 2.14, 3.33 A)
&rst
ixpk= 5000, nxpk= 20, iat= -1, 440, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 446, 454,
&end
#
# 35 PHE HN 35 PHE HB- 5.50 (# 5001:20 Unique 2.16, 3.07 A)
&rst
ixpk= 5001, nxpk= 20, iat= 551, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 555, 556,
&end
#
# 35 PHE HN 35 PHE HB+ 5.50 (# 5002:20 Unique 2.16, 3.07 A)
&rst
ixpk= 5002, nxpk= 20, iat= 551, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 555, 556,
&end
#
# 42 PRO HB- 42 PRO HD+ 5.50 (# 5003:20 Unique 2.98, 3.70 A)
&rst
ixpk= 5003, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 656, 657,
igr2= 650, 651,
&end
#
# 0 AMB 20-2:5004 0 AMB 20-1:5004 3.50 (# 5004:20 Double Ambig)
&rst
ixpk= 5004, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 653, 654, 15, 16, 17,
igr2= 650, 651, 650, 651,
&end
#
# 0 AMB 20-2:5005 0 AMB 20-1:5005 3.50 (# 5005:20 Double Ambig)
&rst
ixpk= 5005, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 653, 654, 8, 9,
igr2= 650, 651, 650, 651,
&end
#
# 42 PRO HA 42 PRO HG- 3.50 (# 5009:20 Unique 3.85, 3.94 A)
&rst
ixpk= 5009, nxpk= 20, iat= 659, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 653, 654,
&end
#
# 41 ASN HB- 42 PRO HD+ 5.50 (# 5013:20 Unique 1.83, 3.47 A)
&rst
ixpk= 5013, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 639, 640,
igr2= 650, 651,
&end
#
# 41 ASN HD2+ 42 PRO HD+ 5.50 (# 5017:20 Unique 1.97, 3.69 A)
&rst
ixpk= 5017, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 644, 645,
igr2= 650, 651,
&end
#
# 0 AMB 20-2:5018 37 GLN HA 5.50 (# 5018:20 Single Ambig)
&rst
ixpk= 5018, nxpk= 20, iat= -1, 587, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 185, 186, 187, 834, 835, 836, 838, 839, 840, 227,
228, 229,
&end
#
# 37 GLN HB- 37 GLN HA 4.40 (# 5019:20 Unique 2.32, 2.73 A)
&rst
ixpk= 5019, nxpk= 20, iat= -1, 587, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1= 589, 590,
&end
#
# 57 GLU HG+ 37 GLN HA 5.50 (# 5020:20 Unique 3.13, 5.44 A)
&rst
ixpk= 5020, nxpk= 20, iat= -1, 587, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 886, 887,
&end
#
# 13 ILE HN 37 GLN HA 4.40 (# 5022:20 Unique 3.28, 3.79 A)
&rst
ixpk= 5022, nxpk= 20, iat= 179, 587, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 104 LEU HN 103 GLN HG+ 3.50 (# 5023:20 Unique 2.16, 3.18 A)
&rst
ixpk= 5023, nxpk= 20, iat=1720, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1710,1711,
&end
#
# 0 AMB 20-2:5024 0 AMB 20-1:5024 3.50 (# 5024:20 Double Ambig)
&rst
ixpk= 5024, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 604, 605, 604, 605, 611, 612, 611, 612,
igr2= 589, 590, 589, 590, 589, 590,
&end
#
# 0 AMB 20-2:5025 0 AMB 20-1:5025 5.50 (# 5025:20 Double Ambig)
&rst
ixpk= 5025, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 587,1201,
igr2= 592, 593,1586,1587,1550,1551,
&end
#
# 0 AMB 20-2:5026 0 AMB 20-1:5026 3.50 (# 5026:20 Double Ambig)
&rst
ixpk= 5026, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 499,1233,1238,
igr2= 472, 473,1586,1587,1550,1551,1589,1590,
&end
#
# 0 AMB 20-2:5027 0 AMB 20-1:5027 5.50 (# 5027:20 Double Ambig)
&rst
ixpk= 5027, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 559, 567, 446, 454,
igr2= 592, 593, 472, 473,
&end
#
# 13 ILE HN 0 AMB 20-1:5028 5.50 (# 5028:20 Single Ambig)
&rst
ixpk= 5028, nxpk= 20, iat= 179, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 592, 593, 886, 887,
&end
#
# 38 GLY HN 0 AMB 20-1:5029 3.50 (# 5029:20 Single Ambig)
&rst
ixpk= 5029, nxpk= 20, iat= 602, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr2= 604, 605, 611, 612,
&end
#
# 39 GLY HN 0 AMB 20-1:5030 2.60 (# 5030:20 Single Ambig)
&rst
ixpk= 5030, nxpk= 20, iat= 609, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr2= 611, 612, 604, 605,
&end
#
# 39 GLY HN 38 GLY HA- 3.50 (# 5031:20 Unique 2.74, 3.25 A)
&rst
ixpk= 5031, nxpk= 20, iat= 609, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 604, 605,
&end
#
# 40 ILE HA 40 ILE HG1- 5.50 (# 5032:20 Unique 2.45, 2.76 A)
&rst
ixpk= 5032, nxpk= 20, iat= 618, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 626, 627,
&end
#
# 46 ALA HA 40 ILE HG1- 5.50 (# 5033:20 Unique 3.02, 4.14 A)
&rst
ixpk= 5033, nxpk= 20, iat= 698, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 626, 627,
&end
#
# 40 ILE QD1 40 ILE QG2 2.60 (# 5034:20 Unique 1.99, 3.62 A)
&rst
ixpk= 5034, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.75, r4= 4.50,
igr1= 629, 630, 631,
igr2= 622, 623, 624,
&end
#
# 42 PRO HD+ 41 ASN HB- 5.50 (# 5035:20 Unique 1.83, 3.47 A)
&rst
ixpk= 5035, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 650, 651,
igr2= 639, 640,
&end
#
# 0 AMB 20-2:5036 0 AMB 20-1:5036 3.50 (# 5036:20 Double Ambig)
&rst
ixpk= 5036, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1= 192, 193, 194,1071,
igr2= 578, 579,1707,1708,
&end
#
# 51 TYR HD 51 TYR HB+ 4.40 (# 5037:20 Unique 2.30, 3.06 A)
&rst
ixpk= 5037, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 773, 782,
igr2= 769, 770,
&end
#
# 51 TYR HN 51 TYR HB+ 4.40 (# 5038:20 Unique 2.17, 2.86 A)
&rst
ixpk= 5038, nxpk= 20, iat= 765, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 769, 770,
&end
#
# 53 GLU HN 53 GLU HB+ 5.50 (# 5039:20 Unique 2.14, 2.86 A)
&rst
ixpk= 5039, nxpk= 20, iat= 810, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 814, 815,
&end
#
# 60 LEU HN 60 LEU HA 4.40 (# 5040:20 Unique 2.90, 2.91 A)
&rst
ixpk= 5040, nxpk= 20, iat= 917, 919, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 0 AMB 20-2:5041 0 AMB 20-1:5041 5.50 (# 5041:20 Double Ambig)
&rst
ixpk= 5041, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 834, 835, 836, 838, 839, 840,1745,1746,1747,1749,
1750,1751,
igr2= 954, 955, 954, 955,
&end
#
# 63 LYS HD+ 63 LYS HB- 3.50 (# 5042:20 Unique 2.00, 3.23 A)
&rst
ixpk= 5042, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 981, 982,
igr2= 975, 976,
&end
#
# 63 LYS HD+ 63 LYS HB+ 3.50 (# 5043:20 Unique 2.00, 3.23 A)
&rst
ixpk= 5043, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 981, 982,
igr2= 975, 976,
&end
#
# 66 ARG HB+ 66 ARG HA 2.60 (# 5044:20 Unique 2.31, 2.45 A)
&rst
ixpk= 5044, nxpk= 20, iat= -1,1023, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1025,1026,
&end
#
# 0 AMB 20-2:5045 0 AMB 20-1:5045 2.60 (# 5045:20 Double Ambig)
&rst
ixpk= 5045, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1028,1029,1461,1462,
igr2=1025,1026,1458,1459,
&end
#
# 68 LEU HG 68 LEU MDY 2.60 (# 5047:20 Unique 2.21, 2.63 A)
&rst
ixpk= 5047, nxpk= 20, iat=1071, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=1073,1074,1075,1077,1078,1079,
&end
#
# 103 GLN HB- 68 LEU MDY 2.60 (# 5048:20 Unique 2.00, 3.40 A)
&rst
ixpk= 5048, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1707,1708,
igr2=1073,1074,1075,1077,1078,1079,
&end
#
# 73 ASN HN 71 THR HA 4.40 (# 5049:20 Unique 3.48, 3.57 A)
&rst
ixpk= 5049, nxpk= 20, iat=1142,1106, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 136 VAL HB 136 VAL HA 2.60 (# 5050:20 Unique 2.39, 2.54 A)
&rst
ixpk= 5050, nxpk= 20, iat=2235,2233, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 0 AMB 20-2:5051 71 THR HA 4.40 (# 5051:20 Single Ambig)
&rst
ixpk= 5051, nxpk= 20, iat= -1,1106, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1122,1123,2480,2481,
&end
#
# 75 LEU MDY 71 THR HB 5.50 (# 5052:20 Unique 3.70, 5.18 A)
&rst
ixpk= 5052, nxpk= 20, iat= -1,1108, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1189,1190,1191,1193,1194,1195,
&end
#
# 71 THR HN 71 THR HB 5.50 (# 5053:20 Unique 3.65, 3.67 A)
&rst
ixpk= 5053, nxpk= 20, iat=1104,1108, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:5055 0 AMB 20-1:5055 2.60 (# 5055:20 Double Ambig)
&rst
ixpk= 5055, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,
igr1=1110,1111,1112,2358,2359,2360,2362,2363,2364,
igr2=2496,2497,1187,
&end
#
# 75 LEU HB+ 75 LEU MDX 2.60 (# 5057:20 Unique 1.99, 3.28 A)
&rst
ixpk= 5057, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1184,1185,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 7 TYR HE 76 ARG HD+ 5.50 (# 5058:20 Unique 2.49, 6.13 A)
&rst
ixpk= 5058, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 93, 98,
igr2=1209,1210,
&end
#
# 77 TYR HE 77 TYR HB+ 5.50 (# 5059:20 Unique 4.62, 5.05 A)
&rst
ixpk= 5059, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1233,1238,
igr2=1227,1228,
&end
#
# 78 LYS HE+ 78 LYS HB+ 5.50 (# 5060:20 Unique 2.29, 3.75 A)
&rst
ixpk= 5060, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1257,1258,
igr2=1248,1249,
&end
#
# 79 LEU HB- 79 LEU HA 5.50 (# 5061:20 Unique 2.23, 2.46 A)
&rst
ixpk= 5061, nxpk= 20, iat= -1,1268, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1270,1271,
&end
#
# 79 LEU HA 79 LEU HB- 5.50 (# 5062:20 Unique 2.23, 2.46 A)
&rst
ixpk= 5062, nxpk= 20, iat=1268, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1270,1271,
&end
#
# 79 LEU HB+ 79 LEU HG 4.40 (# 5063:20 Unique 2.41, 2.76 A)
&rst
ixpk= 5063, nxpk= 20, iat= -1,1273, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1270,1271,
&end
#
# 0 AMB 20-2:5064 80 PRO HA 3.50 (# 5064:20 Single Ambig)
&rst
ixpk= 5064, nxpk= 20, iat= -1,1295, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1289,1290,1248,1249,
&end
#
# 82 ARG HG- 82 ARG HD+ 3.50 (# 5066:20 Unique 2.22, 2.62 A)
&rst
ixpk= 5066, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1328,1329,
igr2=1331,1332,
&end
#
# 83 LEU HG 83 LEU HB+ 3.50 (# 5067:20 Unique 2.36, 2.76 A)
&rst
ixpk= 5067, nxpk= 20, iat=1352, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1349,1350,
&end
#
# 83 LEU HG 83 LEU HB- 3.50 (# 5068:20 Unique 2.36, 2.76 A)
&rst
ixpk= 5068, nxpk= 20, iat=1352, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1349,1350,
&end
#
# 0 AMB 20-2:5069 83 LEU MDX 2.60 (# 5069:20 Single Ambig)
&rst
ixpk= 5069, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=1328,1329,1349,1350,
igr2=1354,1355,1356,1358,1359,1360,
&end
#
# 0 AMB 20-2:5070 84 VAL MGY 3.50 (# 5070:20 Single Ambig)
&rst
ixpk= 5070, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1364,1419,
igr2=1370,1371,1372,1374,1375,1376,
&end
#
# 86 TRP HA 85 ARG HA 4.40 (# 5071:20 Unique 4.39, 4.41 A)
&rst
ixpk= 5071, nxpk= 20, iat=1406,1382, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 85 ARG HG- 85 ARG HB+ 2.60 (# 5072:20 Unique 2.35, 2.59 A)
&rst
ixpk= 5072, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1387,1388,
igr2=1384,1385,
&end
#
# 0 AMB 20-2:5074 0 AMB 20-1:5074 2.60 (# 5074:20 Double Ambig)
&rst
ixpk= 5074, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1= 268, 269,1390,1391,
igr2= 262, 263,1384,1385,
&end
#
# 85 ARG HN 85 ARG HB+ 4.40 (# 5075:20 Unique 2.24, 2.94 A)
&rst
ixpk= 5075, nxpk= 20, iat=1380, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1384,1385,
&end
#
# 87 ASP HN 86 TRP HB- 5.50 (# 5077:20 Unique 3.14, 3.87 A)
&rst
ixpk= 5077, nxpk= 20, iat=1428, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1408,1409,
&end
#
# 87 ASP HN 86 TRP HB+ 5.50 (# 5078:20 Unique 3.14, 3.87 A)
&rst
ixpk= 5078, nxpk= 20, iat=1428, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1408,1409,
&end
#
# 0 AMB 20-2:5079 0 AMB 20-1:5079 2.60 (# 5079:20 Double Ambig)
&rst
ixpk= 5079, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.68, r4= 4.43,
igr1=1432,1433, 68, 69,
igr2=1430, 66,
&end
#
# 89 LYS HN 89 LYS HB- 3.50 (# 5080:20 Unique 2.13, 2.79 A)
&rst
ixpk= 5080, nxpk= 20, iat=1454, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1458,1459,
&end
#
# 89 LYS HN 89 LYS HB+ 3.50 (# 5081:20 Unique 2.13, 2.79 A)
&rst
ixpk= 5081, nxpk= 20, iat=1454, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1458,1459,
&end
#
# 78 LYS HA 78 LYS HB- 3.50 (# 5082:20 Unique 2.35, 2.71 A)
&rst
ixpk= 5082, nxpk= 20, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1248,1249,
&end
#
# 0 AMB 20-2:5083 0 AMB 20-1:5083 2.60 (# 5083:20 Double Ambig)
&rst
ixpk= 5083, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2705,2706,1458,1459,
igr2=2708,2709,1461,1462,
&end
#
# 89 LYS HB+ 89 LYS HG- 2.60 (# 5084:20 Unique 2.32, 2.71 A)
&rst
ixpk= 5084, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1458,1459,
igr2=1461,1462,
&end
#
# 0 AMB 20-2:5086 0 AMB 20-1:5086 2.60 (# 5086:20 Double Ambig)
&rst
ixpk= 5086, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2298,2299, 978, 979,
igr2=2307,2308, 984, 985,
&end
#
# 0 AMB 20-2:5087 0 AMB 20-1:5087 2.60 (# 5087:20 Double Ambig)
&rst
ixpk= 5087, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2420,2421,1306,1307,2705,2706,
igr2=2483,2484,1312,1313,2714,2715,
&end
#
# 0 AMB 20-2:5088 0 AMB 20-1:5088 5.50 (# 5088:20 Double Ambig)
&rst
ixpk= 5088, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.22, r4=11.97,
igr1=1456,1382,1108, 85,2675,2117,
igr2=1467,1468,1467,1468,2483,2484,1257,1258,2714,2715,
2483,2484,
&end
#
# 91 VAL MGY 90 PRO HA 5.50 (# 5089:20 Unique 3.88, 5.77 A)
&rst
ixpk= 5089, nxpk= 20, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1496,1497,1498,1500,1501,1502,
&end
#
# 89 LYS HG- 90 PRO HA 5.50 (# 5090:20 Unique 3.87, 4.65 A)
&rst
ixpk= 5090, nxpk= 20, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1461,1462,
&end
#
# 90 PRO HB+ 90 PRO HA 5.50 (# 5092:20 Unique 2.30, 2.51 A)
&rst
ixpk= 5092, nxpk= 20, iat= -1,1486, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1483,1484,
&end
#
# 89 LYS HA 90 PRO HA 4.40 (# 5093:20 Unique 4.39, 4.39 A)
&rst
ixpk= 5093, nxpk= 20, iat=1456,1486, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 160 GLU HN 0 AMB 20-1:5095 4.40 (# 5095:20 Single Ambig)
&rst
ixpk= 5095, nxpk= 20, iat=2644, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr2=2634,2635,2634,2635,
&end
#
# 0 AMB 20-2:5096 0 AMB 20-1:5096 4.40 (# 5096:20 Double Ambig)
&rst
ixpk= 5096, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1= 27, 28, 29,1883,1884,1885,
igr2=1483,1484,1867,1868,
&end
#
# 0 AMB 20-2:5099 91 VAL MGY 4.40 (# 5099:20 Single Ambig)
&rst
ixpk= 5099, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1=1440,1555,1556,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 6 GLY HA- 93 ILE HG1- 5.50 (# 5100:20 Unique 3.87, 4.98 A)
&rst
ixpk= 5100, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 78, 79,
igr2=1527,1528,
&end
#
# 0 AMB 20-2:5101 0 AMB 20-1:5101 4.40 (# 5101:20 Double Ambig)
&rst
ixpk= 5101, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.76, r4= 8.51,
igr1= 31, 32,1251,1252, 924,
igr2=1530,1531,1532, 192, 193, 194,
&end
#
# 6 GLY HA+ 93 ILE QD1 4.40 (# 5102:20 Unique 1.98, 3.26 A)
&rst
ixpk= 5102, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 78, 79,
igr2=1530,1531,1532,
&end
#
# 93 ILE HA 93 ILE QD1 4.40 (# 5103:20 Unique 3.85, 4.61 A)
&rst
ixpk= 5103, nxpk= 20, iat=1519, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=1530,1531,1532,
&end
#
# 0 AMB 20-2:5104 13 ILE QD1 5.50 (# 5104:20 Single Ambig)
&rst
ixpk= 5104, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 748, 786,
igr2= 192, 193, 194,
&end
#
# 78 LYS HA 94 GLY HA+ 3.50 (# 5106:20 Unique 2.99, 3.53 A)
&rst
ixpk= 5106, nxpk= 20, iat=1246, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1538,1539,
&end
#
# 10 ASN HD2+ 95 GLN HB- 5.50 (# 5107:20 Unique 3.26, 4.96 A)
&rst
ixpk= 5107, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 151, 152,
igr2=1547,1548,
&end
#
# 0 AMB 20-2:5108 0 AMB 20-1:5108 4.40 (# 5108:20 Double Ambig)
&rst
ixpk= 5108, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.76, r4= 8.51,
igr1=2515,2523,1233,1238,1872,1873,
igr2= 202,1547,1548,1934,1935,
&end
#
# 80 PRO HD- 80 PRO HB- 5.50 (# 5109:20 Unique 2.98, 3.70 A)
&rst
ixpk= 5109, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1286,1287,
igr2=1292,1293,
&end
#
# 0 AMB 20-2:5110 95 GLN HB- 4.40 (# 5110:20 Single Ambig)
&rst
ixpk= 5110, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.83, r4= 7.58,
igr1=1567,1568, 34, 35, 36, 626, 627,
igr2=1547,1548,
&end
#
# 95 GLN HB+ 95 GLN HG+ 2.60 (# 5111:20 Unique 2.21, 2.66 A)
&rst
ixpk= 5111, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1547,1548,
igr2=1550,1551,
&end
#
# 0 AMB 20-2:5112 0 AMB 20-1:5112 2.60 (# 5112:20 Double Ambig)
&rst
ixpk= 5112, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1547,1548, 589, 590,
igr2=1550,1551, 592, 593,
&end
#
# 0 AMB 20-2:5114 0 AMB 20-1:5114 4.40 (# 5114:20 Double Ambig)
&rst
ixpk= 5114, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,
igr1= 460, 461, 503, 504, 503, 504,
igr2= 472, 473, 472, 473, 472, 473,
&end
#
# 0 AMB 20-2:5115 0 AMB 20-1:5115 5.50 (# 5115:20 Double Ambig)
&rst
ixpk= 5115, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1631,1582,
igr2=1586,1587,1586,1587,
&end
#
# 98 LYS HD- 98 LYS HA 5.50 (# 5116:20 Unique 2.58, 4.05 A)
&rst
ixpk= 5116, nxpk= 20, iat= -1,1601, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1609,1610,
&end
#
# 98 LYS HG+ 98 LYS HD+ 3.50 (# 5117:20 Unique 2.22, 2.63 A)
&rst
ixpk= 5117, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1606,1607,
igr2=1609,1610,
&end
#
# 98 LYS HG- 98 LYS HD- 3.50 (# 5118:20 Unique 2.22, 2.63 A)
&rst
ixpk= 5118, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1606,1607,
igr2=1609,1610,
&end
#
# 99 TRP HB+ 99 TRP HA 5.50 (# 5119:20 Unique 2.37, 2.72 A)
&rst
ixpk= 5119, nxpk= 20, iat= -1,1623, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1625,1626,
&end
#
# 99 TRP HB- 99 TRP HA 5.50 (# 5120:20 Unique 2.37, 2.72 A)
&rst
ixpk= 5120, nxpk= 20, iat= -1,1623, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1625,1626,
&end
#
# 102 LEU MDX 100 PHE HB+ 5.50 (# 5121:20 Unique 1.97, 4.34 A)
&rst
ixpk= 5121, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1693,1694,1695,1697,1698,1699,
igr2=1649,1650,
&end
#
# 0 AMB 20-2:5122 0 AMB 20-1:5122 3.50 (# 5122:20 Double Ambig)
&rst
ixpk= 5122, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.32, r4= 8.07,
igr1=1729,1730,1731,1733,1734,1735,1672,
igr2= 926, 927, 928, 930, 931, 932,1674,1675,1676,1678,
1679,1680,
&end
#
# 68 LEU HB- 101 LEU MDY 3.50 (# 5123:20 Unique 2.00, 4.99 A)
&rst
ixpk= 5123, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1068,1069,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 102 LEU HB- 102 LEU HG 2.60 (# 5124:20 Unique 2.25, 2.76 A)
&rst
ixpk= 5124, nxpk= 20, iat= -1,1691, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1=1688,1689,
&end
#
# 0 AMB 20-2:5125 0 AMB 20-1:5125 4.40 (# 5125:20 Double Ambig)
&rst
ixpk= 5125, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
igr1=1021,1665,2368,
igr2=1693,1694,1695,1697,1698,1699,2301,2302,
&end
#
# 104 LEU HB+ 104 LEU HG 4.40 (# 5126:20 Unique 2.35, 2.72 A)
&rst
ixpk= 5126, nxpk= 20, iat= -1,1727, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1724,1725,
&end
#
# 105 VAL HN 105 VAL HB 3.50 (# 5129:20 Unique 2.65, 2.91 A)
&rst
ixpk= 5129, nxpk= 20, iat=1739,1743, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:5130 0 AMB 20-1:5130 4.40 (# 5130:20 Double Ambig)
&rst
ixpk= 5130, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.62, r4= 8.37,
igr1=1720,1645, 864,
igr2=1745,1746,1747,1749,1750,1751, 185, 186, 187,
&end
#
# 104 LEU MDX 106 SER HB+ 5.50 (# 5131:20 Unique 3.78, 5.79 A)
&rst
ixpk= 5131, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1729,1730,1731,1733,1734,1735,
igr2=1759,1760,
&end
#
# 0 AMB 20-2:5134 110 GLU HB- 3.50 (# 5134:20 Single Ambig)
&rst
ixpk= 5134, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
igr2=1799,1800,
&end
#
# 0 AMB 20-2:5135 0 AMB 20-1:5135 4.40 (# 5135:20 Double Ambig)
&rst
ixpk= 5135, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.98, r4= 7.73,
igr1=1789,1790,1791,1814,
igr2=1799,1800,1799,1800,
&end
#
# 110 GLU HA 110 GLU HB+ 3.50 (# 5136:20 Unique 2.40, 2.79 A)
&rst
ixpk= 5136, nxpk= 20, iat=1797, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1799,1800,
&end
#
# 0 AMB 20-2:5137 111 ILE HA 3.50 (# 5137:20 Single Ambig)
&rst
ixpk= 5137, nxpk= 20, iat= -1,1812, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
&end
#
# 111 ILE HG1+ 111 ILE HB 5.50 (# 5138:20 Unique 2.43, 2.75 A)
&rst
ixpk= 5138, nxpk= 20, iat= -1,1814, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1820,1821,
&end
#
# 0 AMB 20-2:5139 0 AMB 20-1:5139 5.50 (# 5139:20 Double Ambig)
&rst
ixpk= 5139, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
igr2=1820,1821,1820,1821,
&end
#
# 111 ILE HN 111 ILE HG1+ 5.50 (# 5141:20 Unique 1.90, 2.63 A)
&rst
ixpk= 5141, nxpk= 20, iat=1810, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1820,1821,
&end
#
# 126 TRP HZ2 111 ILE QD1 4.40 (# 5142:20 Unique 2.35, 4.03 A)
&rst
ixpk= 5142, nxpk= 20, iat=2056, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=1823,1824,1825,
&end
#
# 113 MET HG- 113 MET HA 3.50 (# 5144:20 Unique 2.46, 3.06 A)
&rst
ixpk= 5144, nxpk= 20, iat= -1,1845, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1850,1851,
&end
#
# 113 MET HG- 113 MET ME 3.50 (# 5145:20 Unique 2.06, 3.29 A)
&rst
ixpk= 5145, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1850,1851,
igr2=1854,1855,1856,
&end
#
# 0 AMB 20-2:5146 113 MET ME 3.50 (# 5146:20 Single Ambig)
&rst
ixpk= 5146, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1845, 416,
igr2=1854,1855,1856,
&end
#
# 115 THR HN 114 GLN HB- 5.50 (# 5148:20 Unique 4.41, 4.45 A)
&rst
ixpk= 5148, nxpk= 20, iat=1877, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1864,1865,
&end
#
# 0 AMB 20-2:5149 0 AMB 20-1:5149 3.50 (# 5149:20 Double Ambig)
&rst
ixpk= 5149, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2608,2548,
igr2=2601,2602,2601,2602,
&end
#
# 0 AMB 20-2:5150 0 AMB 20-1:5150 2.60 (# 5150:20 Double Ambig)
&rst
ixpk= 5150, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2668,2669,2597,
igr2=2601,2602,2601,2602,
&end
#
# 115 THR HA 115 THR MG2 2.60 (# 5151:20 Unique 1.99, 2.81 A)
&rst
ixpk= 5151, nxpk= 20, iat=1879, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2=1883,1884,1885,
&end
#
# 0 AMB 20-2:5152 0 AMB 20-1:5152 5.50 (# 5152:20 Double Ambig)
&rst
ixpk= 5152, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1= 997, 998, 997, 998,
igr2=1011,1012,1013,1015,1016,1017,1745,1746,1747,1749,
1750,1751,
&end
#
# 118 THR HN 116 SER HB- 4.40 (# 5153:20 Unique 2.76, 3.83 A)
&rst
ixpk= 5153, nxpk= 20, iat=1913, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1895,1896,
&end
#
# 118 THR HN 116 SER HB+ 4.40 (# 5154:20 Unique 2.76, 3.83 A)
&rst
ixpk= 5154, nxpk= 20, iat=1913, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1895,1896,
&end
#
# 117 SER HA 117 SER HB+ 2.60 (# 5156:20 Unique 2.29, 2.72 A)
&rst
ixpk= 5156, nxpk= 20, iat=1904, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1906,1907,
&end
#
# 117 SER HA 117 SER HB+ 2.60 (# 5157:20 Unique 2.29, 2.72 A)
&rst
ixpk= 5157, nxpk= 20, iat=1904, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1906,1907,
&end
#
# 117 SER HA 117 SER HB- 2.60 (# 5158:20 Unique 2.29, 2.72 A)
&rst
ixpk= 5158, nxpk= 20, iat=1904, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1906,1907,
&end
#
# 118 THR HB 118 THR HA 2.60 (# 5159:20 Unique 2.56, 2.65 A)
&rst
ixpk= 5159, nxpk= 20, iat=1917,1915, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 117 SER HB- 118 THR MG2 4.40 (# 5164:20 Unique 2.94, 4.85 A)
&rst
ixpk= 5164, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1906,1907,
igr2=1919,1920,1921,
&end
#
# 120 GLU HA 120 GLU HG+ 4.40 (# 5165:20 Unique 2.27, 3.17 A)
&rst
ixpk= 5165, nxpk= 20, iat=1943, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1948,1949,
&end
#
# 122 ASP HN 121 PHE HA 5.50 (# 5166:20 Unique 2.22, 2.77 A)
&rst
ixpk= 5166, nxpk= 20, iat=1976,1958, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 HIS HD2 122 ASP HB+ 5.50 (# 5168:20 Unique 3.32, 8.58 A)
&rst
ixpk= 5168, nxpk= 20, iat= 495, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1980,1981,
&end
#
# 124 TRP HB+ 124 TRP HA 5.50 (# 5170:20 Unique 2.37, 2.54 A)
&rst
ixpk= 5170, nxpk= 20, iat= -1,1997, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1999,2000,
&end
#
# 125 ARG HB- 125 ARG HA 4.40 (# 5172:20 Unique 2.36, 2.75 A)
&rst
ixpk= 5172, nxpk= 20, iat= -1,2021, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2023,2024,
&end
#
# 66 ARG HA 66 ARG HB+ 3.50 (# 5173:20 Unique 2.31, 2.45 A)
&rst
ixpk= 5173, nxpk= 20, iat=1023, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1025,1026,
&end
#
# 0 AMB 20-2:5174 125 ARG HG- 5.50 (# 5174:20 Single Ambig)
&rst
ixpk= 5174, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1995,2083,
igr2=2026,2027,
&end
#
# 0 AMB 20-2:5176 127 VAL MGX 5.50 (# 5176:20 Single Ambig)
&rst
ixpk= 5176, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 369,2149,2154,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 129 TYR HB- 129 TYR HA 4.40 (# 5177:20 Unique 2.33, 2.51 A)
&rst
ixpk= 5177, nxpk= 20, iat= -1,2096, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2098,2099,
&end
#
# 128 SER HA 129 TYR HA 5.50 (# 5178:20 Unique 4.29, 4.32 A)
&rst
ixpk= 5178, nxpk= 20, iat=2085,2096, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 129 TYR HN 129 TYR HA 3.50 (# 5179:20 Unique 2.80, 2.87 A)
&rst
ixpk= 5179, nxpk= 20, iat=2094,2096, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 129 TYR HA 129 TYR HB- 5.50 (# 5180:20 Unique 2.33, 2.51 A)
&rst
ixpk= 5180, nxpk= 20, iat=2096, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2098,2099,
&end
#
# 129 TYR HA 129 TYR HB+ 5.50 (# 5181:20 Unique 2.33, 2.51 A)
&rst
ixpk= 5181, nxpk= 20, iat=2096, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2098,2099,
&end
#
# 131 TYR HB+ 131 TYR HA 4.40 (# 5182:20 Unique 2.30, 2.76 A)
&rst
ixpk= 5182, nxpk= 20, iat= -1,2141, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2143,2144,
&end
#
# 0 AMB 20-2:5184 91 VAL MGY 5.50 (# 5184:20 Single Ambig)
&rst
ixpk= 5184, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1=1408,1409,1467,1468,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 130 TRP HE3 133 VAL MGX 3.50 (# 5186:20 Unique 3.72, 6.77 A)
&rst
ixpk= 5186, nxpk= 20, iat=2134, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2180,2181,2182,2184,2185,2186,
&end
#
# 0 AMB 20-2:5187 91 VAL MGY 2.60 (# 5187:20 Single Ambig)
&rst
ixpk= 5187, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1=1490,1506,1380,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 133 VAL HN 133 VAL MGY 2.60 (# 5188:20 Unique 1.93, 3.67 A)
&rst
ixpk= 5188, nxpk= 20, iat=2174, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2180,2181,2182,2184,2185,2186,
&end
#
# 0 AMB 20-2:5189 0 AMB 20-1:5189 2.60 (# 5189:20 Double Ambig)
&rst
ixpk= 5189, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2178,1586,1587,
igr2=2180,2181,2182,2184,2185,2186,2358,2359,2360,2362,
2363,2364,
&end
#
# 160 GLU HN 158 LEU HA 4.40 (# 5190:20 Unique 3.79, 4.17 A)
&rst
ixpk= 5190, nxpk= 20, iat=2644,2610, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 0 AMB 20-2:5191 0 AMB 20-1:5191 5.50 (# 5191:20 Double Ambig)
&rst
ixpk= 5191, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2378,2383,2174,
igr2=2167,2168,2167,2168,
&end
#
# 138 SER HN 137 VAL HB 2.60 (# 5192:20 Unique 2.38, 3.79 A)
&rst
ixpk= 5192, nxpk= 20, iat=2263,2251, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 137 VAL MGX 138 SER HB+ 4.40 (# 5195:20 Unique 3.30, 6.13 A)
&rst
ixpk= 5195, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2253,2254,2255,2257,2258,2259,
igr2=2267,2268,
&end
#
# 141 ARG HB+ 141 ARG HD+ 3.50 (# 5197:20 Unique 1.96, 3.11 A)
&rst
ixpk= 5197, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2320,2321,
igr2=2326,2327,
&end
#
# 141 ARG HN 141 ARG HD+ 4.40 (# 5198:20 Unique 3.94, 4.84 A)
&rst
ixpk= 5198, nxpk= 20, iat=2316, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2326,2327,
&end
#
# 143 VAL MGX 143 VAL HA 2.60 (# 5199:20 Unique 2.38, 3.53 A)
&rst
ixpk= 5199, nxpk= 20, iat= -1,2354, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2358,2359,2360,2362,2363,2364,
&end
#
# 141 ARG HD+ 138 SER HA 3.50 (# 5202:20 Unique 2.04, 4.10 A)
&rst
ixpk= 5202, nxpk= 20, iat= -1,2265, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2326,2327,
&end
#
# 149 LYS HB+ 146 ARG HA 3.50 (# 5203:20 Unique 1.98, 2.67 A)
&rst
ixpk= 5203, nxpk= 20, iat= -1,2415, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2474,2475,
&end
#
# 146 ARG HA 146 ARG HG+ 4.40 (# 5204:20 Unique 2.09, 2.86 A)
&rst
ixpk= 5204, nxpk= 20, iat=2415, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2420,2421,
&end
#
# 146 ARG HA 146 ARG HG- 3.50 (# 5205:20 Unique 2.09, 2.86 A)
&rst
ixpk= 5205, nxpk= 20, iat=2415, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2420,2421,
&end
#
# 0 AMB 20-2:5206 0 AMB 20-1:5206 3.50 (# 5206:20 Double Ambig)
&rst
ixpk= 5206, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1=2464,2465,2466,2221,2222,
igr2=2457,2458,2194,2195,
&end
#
# 149 LYS HA 149 LYS HD+ 4.40 (# 5210:20 Unique 2.19, 4.05 A)
&rst
ixpk= 5210, nxpk= 20, iat=2472, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2480,2481,
&end
#
# 151 PHE HN 150 GLU HB- 4.40 (# 5211:20 Unique 2.63, 3.23 A)
&rst
ixpk= 5211, nxpk= 20, iat=2507, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2496,2497,
&end
#
# 151 PHE HN 150 GLU HB+ 4.40 (# 5212:20 Unique 2.63, 3.23 A)
&rst
ixpk= 5212, nxpk= 20, iat=2507, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2496,2497,
&end
#
# 150 GLU HA 150 GLU HG+ 2.60 (# 5213:20 Unique 2.05, 3.07 A)
&rst
ixpk= 5213, nxpk= 20, iat=2494, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=2499,2500,
&end
#
# 0 AMB 20-2:5214 152 ALA MB 3.50 (# 5214:20 Single Ambig)
&rst
ixpk= 5214, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2474,2475,2584,2585,2499,2500,
igr2=2531,2532,2533,
&end
#
# 154 VAL HN 152 ALA MB 4.40 (# 5215:20 Unique 5.24, 5.64 A)
&rst
ixpk= 5215, nxpk= 20, iat=2548, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=2531,2532,2533,
&end
#
# 95 GLN HA 0 AMB 20-1:5216 5.50 (# 5216:20 Single Ambig)
&rst
ixpk= 5216, nxpk= 20, iat=1545, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2= 108, 109, 108, 109,
&end
#
# 155 VAL HN 154 VAL HB 2.60 (# 5217:20 Unique 2.36, 2.73 A)
&rst
ixpk= 5217, nxpk= 20, iat=2564,2552, r1= 0.00, r2= 1.80, r3= 2.60, r4= 3.35, &end
#
# 101 LEU HB- 154 VAL MGX 5.50 (# 5218:20 Unique 3.14, 5.83 A)
&rst
ixpk= 5218, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1669,1670,
igr2=2554,2555,2556,2558,2559,2560,
&end
#
# 158 LEU HB- 154 VAL MGY 2.60 (# 5219:20 Unique 2.71, 5.85 A)
&rst
ixpk= 5219, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2612,2613,
igr2=2554,2555,2556,2558,2559,2560,
&end
#
# 0 AMB 20-2:5220 154 VAL MGY 2.60 (# 5220:20 Single Ambig)
&rst
ixpk= 5220, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=2612,2613,1707,1708,
igr2=2554,2555,2556,2558,2559,2560,
&end
#
# 0 AMB 20-2:5221 154 VAL MGY 2.60 (# 5221:20 Single Ambig)
&rst
ixpk= 5221, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1087,1088,1089,1068,1069,
igr2=2554,2555,2556,2558,2559,2560,
&end
#
# 68 LEU HB- 154 VAL MGY 2.60 (# 5222:20 Unique 2.00, 3.71 A)
&rst
ixpk= 5222, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1068,1069,
igr2=2554,2555,2556,2558,2559,2560,
&end
#
# 151 PHE HA 154 VAL MGY 5.50 (# 5223:20 Unique 2.16, 4.83 A)
&rst
ixpk= 5223, nxpk= 20, iat=2509, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2554,2555,2556,2558,2559,2560,
&end
#
# 0 AMB 20-2:5224 155 VAL HA 4.40 (# 5224:20 Single Ambig)
&rst
ixpk= 5224, nxpk= 20, iat= -1,2566, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2627,2597,
&end
#
# 101 LEU MDX 155 VAL MGY 2.60 (# 5225:20 Unique 3.02, 6.76 A)
&rst
ixpk= 5225, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1674,1675,1676,1678,1679,1680,
igr2=2570,2571,2572,2574,2575,2576,
&end
#
# 20 GLY HA- 155 VAL MGY 3.50 (# 5226:20 Unique 2.00, 4.17 A)
&rst
ixpk= 5226, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 301, 302,
igr2=2570,2571,2572,2574,2575,2576,
&end
#
# 0 AMB 20-2:5227 0 AMB 20-1:5227 3.50 (# 5227:20 Double Ambig)
&rst
ixpk= 5227, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 793, 794,2568,2612,2613,
igr2= 812,2582,
&end
#
# 156 MET HG- 156 MET ME 3.50 (# 5228:20 Unique 2.15, 3.33 A)
&rst
ixpk= 5228, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2587,2588,
igr2=2591,2592,2593,
&end
#
# 156 MET HG+ 156 MET ME 3.50 (# 5229:20 Unique 2.15, 3.33 A)
&rst
ixpk= 5229, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2587,2588,
igr2=2591,2592,2593,
&end
#
# 0 AMB 20-2:5230 156 MET ME 4.40 (# 5230:20 Single Ambig)
&rst
ixpk= 5230, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=2128,2564,
igr2=2591,2592,2593,
&end
#
# 0 AMB 20-2:5231 157 SER HA 3.50 (# 5231:20 Single Ambig)
&rst
ixpk= 5231, nxpk= 20, iat= -1,2599, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=2668,2669,2597,
&end
#
# 158 LEU MDX 158 LEU HA 2.60 (# 5233:20 Unique 2.10, 3.92 A)
&rst
ixpk= 5233, nxpk= 20, iat= -1,2610, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1=2617,2618,2619,2621,2622,2623,
&end
#
# 0 AMB 20-2:5234 158 LEU HB- 2.60 (# 5234:20 Single Ambig)
&rst
ixpk= 5234, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.42, r4= 5.17,
igr1=2617,2618,2619,2621,2622,2623,2554,2555,2556,2558,
2559,2560,
igr2=2612,2613,
&end
#
# 162 THR MG2 0 AMB 20-1:5236 5.50 (# 5236:20 Single Ambig)
&rst
ixpk= 5236, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2679,2680,2681,
igr2=2629,2646,
&end
#
# 161 ASN HN 159 GLN HA 4.40 (# 5237:20 Unique 4.13, 4.35 A)
&rst
ixpk= 5237, nxpk= 20, iat=2659,2629, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 130 TRP HH2 148 MET HA 5.50 (# 5238:20 Unique 8.51,11.87 A)
&rst
ixpk= 5238, nxpk= 20, iat=2130,2455, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:5239 0 AMB 20-1:5239 2.60 (# 5239:20 Double Ambig)
&rst
ixpk= 5239, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2631,2632,2631,2632,
igr2=2634,2635,2634,2635,
&end
#
# 0 AMB 20-2:5240 0 AMB 20-1:5240 2.60 (# 5240:20 Double Ambig)
&rst
ixpk= 5240, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=2631,2632,2631,2632,
igr2=2634,2635,2634,2635,
&end
#
# 155 VAL HA 159 GLN HG+ 5.50 (# 5241:20 Unique 4.53, 5.97 A)
&rst
ixpk= 5241, nxpk= 20, iat=2566, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2634,2635,
&end
#
# 110 GLU HN 110 GLU HG- 3.50 (# 5242:20 Unique 1.97, 3.36 A)
&rst
ixpk= 5242, nxpk= 20, iat=1795, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1802,1803,
&end
#
# 0 AMB 20-2:5243 0 AMB 20-1:5243 5.50 (# 5243:20 Double Ambig)
&rst
ixpk= 5243, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=2705,2706, 262, 263, 286, 287,
igr2=2651,2652,2651,2652,2651,2652,
&end
#
# 0 AMB 20-2:5244 162 THR MG2 5.50 (# 5244:20 Single Ambig)
&rst
ixpk= 5244, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2644, 258,
igr2=2679,2680,2681,
&end
#
# 8 ARG HA 0 AMB 20-1:5248 4.40 (# 5248:20 Single Ambig)
&rst
ixpk= 5248, nxpk= 20, iat= 106, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr2= 108, 109, 108, 109,
&end
#
# 163 PRO HG+ 163 PRO HB+ 2.60 (# 5249:20 Unique 2.32, 2.58 A)
&rst
ixpk= 5249, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2691,2692,
igr2=2694,2695,
&end
#
# 163 PRO HG+ 163 PRO HB- 2.60 (# 5250:20 Unique 2.32, 2.58 A)
&rst
ixpk= 5250, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2691,2692,
igr2=2694,2695,
&end
#
# 164 LYS HN 163 PRO HB- 4.40 (# 5251:20 Unique 2.11, 3.42 A)
&rst
ixpk= 5251, nxpk= 20, iat=2701, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=2694,2695,
&end
#
# 78 LYS HN 0 AMB 20-1:5253 5.50 (# 5253:20 Single Ambig)
&rst
ixpk= 5253, nxpk= 20, iat=1244, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr2=1257,1258,2307,2308,
&end
#
# 144 TYR HD 140 LYS HE+ 5.50 (# 5254:20 Unique 4.83, 8.09 A)
&rst
ixpk= 5254, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2376,2385,
igr2=2307,2308,
&end
#
# 118 THR HN 119 PRO HA 5.50 (# 5255:20 Unique 4.92, 4.95 A)
&rst
ixpk= 5255, nxpk= 20, iat=1913,1937, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 101 LEU MDY 101 LEU HB- 5.50 (# 5256:20 Unique 1.98, 3.36 A)
&rst
ixpk= 5256, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1674,1675,1676,1678,1679,1680,
igr2=1669,1670,
&end
#
# 0 AMB 20-2:5257 101 LEU HB- 5.50 (# 5257:20 Single Ambig)
&rst
ixpk= 5257, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 329, 330, 331, 333, 334, 335,1011,1012,1013,1015,
1016,1017,
igr2=1669,1670,
&end
#
# 69 ALA MB 101 LEU HB- 5.50 (# 5258:20 Unique 1.98, 4.28 A)
&rst
ixpk= 5258, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1087,1088,1089,
igr2=1669,1670,
&end
#
# 101 LEU MDX 101 LEU HB- 4.40 (# 5259:20 Unique 1.98, 3.36 A)
&rst
ixpk= 5259, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1674,1675,1676,1678,1679,1680,
igr2=1669,1670,
&end
#
# 0 AMB 20-2:5261 0 AMB 20-1:5261 2.60 (# 5261:20 Double Ambig)
&rst
ixpk= 5261, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1=1306,1307,1931,1932,1368,
igr2=1303,1304,1934,1935,1303,1304,
&end
#
# 0 AMB 20-2:5262 0 AMB 20-1:5262 2.60 (# 5262:20 Double Ambig)
&rst
ixpk= 5262, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1309,1310,2477,2478, 814, 815,1931,1932, 793, 794,
igr2=1303,1304,2474,2475, 817, 818,1934,1935,
&end
#
# 120 GLU HN 119 PRO HB- 3.50 (# 5263:20 Unique 2.72, 3.55 A)
&rst
ixpk= 5263, nxpk= 20, iat=1941, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1934,1935,
&end
#
# 38 GLY HA+ 53 GLU HB+ 3.50 (# 5264:20 Unique 1.99, 4.33 A)
&rst
ixpk= 5264, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 604, 605,
igr2= 814, 815,
&end
#
# 119 PRO HD+ 119 PRO HG+ 2.60 (# 5265:20 Unique 2.30, 2.58 A)
&rst
ixpk= 5265, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1928,1929,
igr2=1931,1932,
&end
#
# 82 ARG HD+ 82 ARG HG+ 2.60 (# 5266:20 Unique 2.22, 2.62 A)
&rst
ixpk= 5266, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1331,1332,
igr2=1328,1329,
&end
#
# 119 PRO HB- 119 PRO HG+ 3.50 (# 5267:20 Unique 2.32, 2.58 A)
&rst
ixpk= 5267, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1934,1935,
igr2=1931,1932,
&end
#
# 0 AMB 20-2:5268 0 AMB 20-1:5268 3.50 (# 5268:20 Double Ambig)
&rst
ixpk= 5268, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1934,1935,2393,2394,
igr2=1931,1932,2323,2324,
&end
#
# 0 AMB 20-2:5269 0 AMB 20-1:5269 2.60 (# 5269:20 Double Ambig)
&rst
ixpk= 5269, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 817, 818,1934,1935, 868, 869,
igr2= 814, 815,1931,1932, 814, 815,
&end
#
# 80 PRO HD- 80 PRO HG- 2.60 (# 5270:20 Unique 2.30, 2.58 A)
&rst
ixpk= 5270, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1286,1287,
igr2=1289,1290,
&end
#
# 80 PRO HD- 80 PRO HG+ 3.50 (# 5271:20 Unique 2.30, 2.58 A)
&rst
ixpk= 5271, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1286,1287,
igr2=1289,1290,
&end
#
# 80 PRO HD+ 80 PRO HG+ 4.40 (# 5272:20 Unique 2.30, 2.58 A)
&rst
ixpk= 5272, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1286,1287,
igr2=1289,1290,
&end
#
# 80 PRO HD+ 80 PRO HG- 3.50 (# 5273:20 Unique 2.30, 2.58 A)
&rst
ixpk= 5273, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1286,1287,
igr2=1289,1290,
&end
#
# 0 AMB 20-2:5274 80 PRO HD- 5.50 (# 5274:20 Single Ambig)
&rst
ixpk= 5274, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1295,1347,
igr2=1286,1287,
&end
#
# 80 PRO HB+ 80 PRO HD- 5.50 (# 5275:20 Unique 2.98, 3.70 A)
&rst
ixpk= 5275, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1292,1293,
igr2=1286,1287,
&end
#
# 80 PRO HB+ 80 PRO HD+ 5.50 (# 5276:20 Unique 2.98, 3.70 A)
&rst
ixpk= 5276, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1292,1293,
igr2=1286,1287,
&end
#
# 0 AMB 20-2:5277 80 PRO HD- 3.50 (# 5277:20 Single Ambig)
&rst
ixpk= 5277, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1349,1350,1292,1293,
igr2=1286,1287,
&end
#
# 80 PRO HG+ 80 PRO HD- 4.40 (# 5278:20 Unique 2.30, 2.58 A)
&rst
ixpk= 5278, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1289,1290,
igr2=1286,1287,
&end
#
# 80 PRO HG+ 80 PRO HD+ 3.50 (# 5279:20 Unique 2.30, 2.58 A)
&rst
ixpk= 5279, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1289,1290,
igr2=1286,1287,
&end
#
# 139 PHE HB+ 138 SER HB- 5.50 (# 5280:20 Unique 4.14, 6.25 A)
&rst
ixpk= 5280, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2278,2279,
igr2=2267,2268,
&end
#
# 0 AMB 20-2:5282 0 AMB 20-1:5282 5.50 (# 5282:20 Double Ambig)
&rst
ixpk= 5282, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.14, r4= 9.89,
igr1=2194,2195,2071,2323,2324,2320,2321,
igr2=2141,2267,2268,
&end
#
# 140 LYS HG+ 140 LYS HD- 2.60 (# 5283:20 Unique 2.22, 2.63 A)
&rst
ixpk= 5283, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=2301,2302,
igr2=2304,2305,
&end
#
# 0 AMB 20-2:5284 0 AMB 20-1:5284 3.50 (# 5284:20 Double Ambig)
&rst
ixpk= 5284, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.58, r4= 7.33,
igr1=2301,2302, 220, 221, 222,2253,2254,2255,2257,2258,
2259,
igr2=2304,2305, 224, 225,
&end
#
# 0 AMB 20-2:5285 0 AMB 20-1:5285 4.40 (# 5285:20 Double Ambig)
&rst
ixpk= 5285, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.71, r4= 9.46,
igr1=2301,2302,2253,2254,2255,2257,2258,2259, 954, 955,
igr2=2304,2305,2304,2305, 951, 952,
&end
#
# 140 LYS HE- 140 LYS HD- 5.50 (# 5287:20 Unique 2.22, 2.68 A)
&rst
ixpk= 5287, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2307,2308,
igr2=2304,2305,
&end
#
# 140 LYS HE+ 140 LYS HD- 4.40 (# 5288:20 Unique 2.22, 2.68 A)
&rst
ixpk= 5288, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2307,2308,
igr2=2304,2305,
&end
#
# 0 AMB 20-2:5289 0 AMB 20-1:5289 2.60 (# 5289:20 Double Ambig)
&rst
ixpk= 5289, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.20, r4= 5.95,
igr1=2477,2478,1306,1307,2304,2305, 981, 982,
igr2=2483,2484,1312,1313,2307,2308, 984, 985,
&end
#
# 140 LYS HD- 140 LYS HG+ 3.50 (# 5290:20 Unique 2.22, 2.63 A)
&rst
ixpk= 5290, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2304,2305,
igr2=2301,2302,
&end
#
# 0 AMB 20-2:5291 0 AMB 20-1:5291 5.50 (# 5291:20 Double Ambig)
&rst
ixpk= 5291, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
igr1=2301,2302,2253,2254,2255,2257,2258,2259,
igr2=2307,2308,2307,2308,
&end
#
# 140 LYS HG- 140 LYS HA 5.50 (# 5292:20 Unique 2.03, 2.89 A)
&rst
ixpk= 5292, nxpk= 20, iat= -1,2296, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2301,2302,
&end
#
# 52 ARG HN 52 ARG HB- 5.50 (# 5293:20 Unique 2.07, 2.58 A)
&rst
ixpk= 5293, nxpk= 20, iat= 786, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 790, 791,
&end
#
# 52 ARG HG- 52 ARG HB+ 2.60 (# 5294:20 Unique 2.21, 2.71 A)
&rst
ixpk= 5294, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 793, 794,
igr2= 790, 791,
&end
#
# 52 ARG HB- 52 ARG HD+ 4.40 (# 5295:20 Unique 1.99, 3.24 A)
&rst
ixpk= 5295, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 790, 791,
igr2= 796, 797,
&end
#
# 134 ARG HE 134 ARG HD+ 3.50 (# 5297:20 Unique 2.28, 2.74 A)
&rst
ixpk= 5297, nxpk= 20, iat=2203, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2200,2201,
&end
#
# 53 GLU HA 57 GLU HG- 5.50 (# 5298:20 Unique 3.78, 5.00 A)
&rst
ixpk= 5298, nxpk= 20, iat= 812, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 886, 887,
&end
#
# 0 AMB 20-2:5299 57 GLU HG- 5.50 (# 5299:20 Single Ambig)
&rst
ixpk= 5299, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 817, 818, 868, 869,
igr2= 886, 887,
&end
#
# 57 GLU HG+ 57 GLU HB- 3.50 (# 5301:20 Unique 2.21, 2.64 A)
&rst
ixpk= 5301, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 886, 887,
igr2= 883, 884,
&end
#
# 121 PHE HE 57 GLU HB- 5.50 (# 5302:20 Unique 2.89, 5.42 A)
&rst
ixpk= 5302, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1966,1970,
igr2= 883, 884,
&end
#
# 57 GLU HN 57 GLU HB- 5.50 (# 5303:20 Unique 2.31, 3.11 A)
&rst
ixpk= 5303, nxpk= 20, iat= 879, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 883, 884,
&end
#
# 147 VAL MGX 148 MET HG+ 5.50 (# 5304:20 Unique 2.12, 5.16 A)
&rst
ixpk= 5304, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2443,2444,2445,2447,2448,2449,
igr2=2460,2461,
&end
#
# 0 AMB 20-2:5305 148 MET HA 5.50 (# 5305:20 Single Ambig)
&rst
ixpk= 5305, nxpk= 20, iat= -1,2455, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2460,2461,2098,2099,
&end
#
# 148 MET HA 148 MET HG+ 3.50 (# 5306:20 Unique 2.29, 3.36 A)
&rst
ixpk= 5306, nxpk= 20, iat=2455, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2460,2461,
&end
#
# 148 MET ME 148 MET HG- 3.50 (# 5307:20 Unique 2.38, 3.71 A)
&rst
ixpk= 5307, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2464,2465,2466,
igr2=2460,2461,
&end
#
# 148 MET HB- 148 MET HG- 5.50 (# 5308:20 Unique 2.20, 2.59 A)
&rst
ixpk= 5308, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2457,2458,
igr2=2460,2461,
&end
#
# 133 VAL MGY 148 MET HG- 2.60 (# 5309:20 Unique 1.99, 4.42 A)
&rst
ixpk= 5309, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2180,2181,2182,2184,2185,2186,
igr2=2460,2461,
&end
#
# 148 MET HG- 148 MET HB- 5.50 (# 5311:20 Unique 2.20, 2.59 A)
&rst
ixpk= 5311, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2460,2461,
igr2=2457,2458,
&end
#
# 0 AMB 20-2:5312 0 AMB 20-1:5312 4.40 (# 5312:20 Double Ambig)
&rst
ixpk= 5312, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 129, 130,2267,2268,
igr2= 135, 136,2251,
&end
#
# 80 PRO HG+ 80 PRO HB- 2.60 (# 5313:20 Unique 2.32, 2.58 A)
&rst
ixpk= 5313, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1289,1290,
igr2=1292,1293,
&end
#
# 81 LYS HE+ 81 LYS HB- 5.50 (# 5314:20 Unique 1.92, 3.05 A)
&rst
ixpk= 5314, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1312,1313,
igr2=1303,1304,
&end
#
# 84 VAL MGY 81 LYS HB- 3.50 (# 5315:20 Unique 4.10, 6.32 A)
&rst
ixpk= 5315, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1370,1371,1372,1374,1375,1376,
igr2=1303,1304,
&end
#
# 0 AMB 20-2:5316 0 AMB 20-1:5316 2.60 (# 5316:20 Double Ambig)
&rst
ixpk= 5316, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2483,2484,1312,1313, 796, 797,
igr2=2477,2478,1306,1307, 793, 794,
&end
#
# 81 LYS HB+ 81 LYS HG+ 2.60 (# 5317:20 Unique 2.21, 2.67 A)
&rst
ixpk= 5317, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1303,1304,
igr2=1306,1307,
&end
#
# 81 LYS HB- 81 LYS HG+ 2.60 (# 5318:20 Unique 2.21, 2.67 A)
&rst
ixpk= 5318, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1303,1304,
igr2=1306,1307,
&end
#
# 0 AMB 20-2:5319 81 LYS HG- 3.50 (# 5319:20 Single Ambig)
&rst
ixpk= 5319, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1303,1304,1325,1326,
igr2=1306,1307,
&end
#
# 0 AMB 20-2:5320 0 AMB 20-1:5320 2.60 (# 5320:20 Double Ambig)
&rst
ixpk= 5320, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1306,1307,1328,1329,
igr2=1309,1310,1309,1310,
&end
#
# 0 AMB 20-2:5321 0 AMB 20-1:5321 2.60 (# 5321:20 Double Ambig)
&rst
ixpk= 5321, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1306,1307,1292,1293,
igr2=1309,1310,1309,1310,
&end
#
# 76 ARG HD+ 78 LYS HD+ 4.40 (# 5322:20 Unique 2.74, 4.80 A)
&rst
ixpk= 5322, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1209,1210,
igr2=1254,1255,
&end
#
# 7 TYR HE 76 ARG HG+ 5.50 (# 5323:20 Unique 2.84, 7.68 A)
&rst
ixpk= 5323, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 93, 98,
igr2=1206,1207,
&end
#
# 76 ARG HA 76 ARG HG+ 5.50 (# 5324:20 Unique 2.35, 3.74 A)
&rst
ixpk= 5324, nxpk= 20, iat=1201, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1206,1207,
&end
#
# 76 ARG HB+ 76 ARG HG+ 2.60 (# 5325:20 Unique 2.21, 2.65 A)
&rst
ixpk= 5325, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1203,1204,
igr2=1206,1207,
&end
#
# 76 ARG HG+ 76 ARG HD+ 4.40 (# 5326:20 Unique 2.22, 2.71 A)
&rst
ixpk= 5326, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1206,1207,
igr2=1209,1210,
&end
#
# 27 ARG HG+ 27 ARG HA 5.50 (# 5327:20 Unique 2.33, 3.69 A)
&rst
ixpk= 5327, nxpk= 20, iat= -1, 416, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 421, 422,
&end
#
# 0 AMB 20-2:5330 0 AMB 20-1:5330 4.40 (# 5330:20 Double Ambig)
&rst
ixpk= 5330, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.71, r4= 9.46,
igr1=2358,2359,2360,2362,2363,2364,1945,1946,1603,1604,
igr2=1206,1207, 421, 422,1206,1207,
&end
#
# 0 AMB 20-2:5331 0 AMB 20-1:5331 2.60 (# 5331:20 Double Ambig)
&rst
ixpk= 5331, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1= 418, 419,1203,1204,
igr2= 421, 422,1206,1207,
&end
#
# 27 ARG HD- 27 ARG HG+ 3.50 (# 5333:20 Unique 2.22, 2.71 A)
&rst
ixpk= 5333, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 424, 425,
igr2= 421, 422,
&end
#
# 27 ARG HG+ 27 ARG HD+ 3.50 (# 5334:20 Unique 2.22, 2.71 A)
&rst
ixpk= 5334, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 421, 422,
igr2= 424, 425,
&end
#
# 27 ARG HG- 27 ARG HD+ 2.60 (# 5336:20 Unique 2.22, 2.71 A)
&rst
ixpk= 5336, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 421, 422,
igr2= 424, 425,
&end
#
# 27 ARG HG- 27 ARG HD- 3.50 (# 5337:20 Unique 2.22, 2.71 A)
&rst
ixpk= 5337, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 421, 422,
igr2= 424, 425,
&end
#
# 27 ARG HA 27 ARG HD- 5.50 (# 5338:20 Unique 2.22, 4.57 A)
&rst
ixpk= 5338, nxpk= 20, iat= 416, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 424, 425,
&end
#
# 15 ILE HG1+ 15 ILE QG2 2.60 (# 5340:20 Unique 2.24, 3.45 A)
&rst
ixpk= 5340, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr1= 224, 225,
igr2= 220, 221, 222,
&end
#
# 0 AMB 20-2:5341 15 ILE QG2 4.40 (# 5341:20 Single Ambig)
&rst
ixpk= 5341, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=1691, 924, 248, 249,
igr2= 220, 221, 222,
&end
#
# 0 AMB 20-2:5343 0 AMB 20-1:5343 5.50 (# 5343:20 Double Ambig)
&rst
ixpk= 5343, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1=1251,1252, 924, 248, 249,1727, 921, 922, 31, 32,
igr2=1521, 218,
&end
#
# 0 AMB 20-2:5345 15 ILE HG1- 2.60 (# 5345:20 Single Ambig)
&rst
ixpk= 5345, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.21, r4= 4.96,
igr1= 220, 221, 222,1011,1012,1013,1015,1016,1017,
igr2= 224, 225,
&end
#
# 15 ILE HB 15 ILE HG1- 4.40 (# 5346:20 Unique 2.37, 2.46 A)
&rst
ixpk= 5346, nxpk= 20, iat= 218, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 224, 225,
&end
#
# 0 AMB 20-2:5347 0 AMB 20-1:5347 2.60 (# 5347:20 Double Ambig)
&rst
ixpk= 5347, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.28, r4= 5.03,
igr1= 975, 976, 975, 976, 218,
igr2= 981, 982, 224, 225,
&end
#
# 0 AMB 20-2:5348 15 ILE HA 3.50 (# 5348:20 Single Ambig)
&rst
ixpk= 5348, nxpk= 20, iat= -1, 216, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 227, 228, 229, 224, 225,
&end
#
# 0 AMB 20-2:5349 15 ILE HA 3.50 (# 5349:20 Single Ambig)
&rst
ixpk= 5349, nxpk= 20, iat= -1, 216, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 220, 221, 222,1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 20-2:5350 15 ILE QD1 2.60 (# 5350:20 Single Ambig)
&rst
ixpk= 5350, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,
igr1= 220, 221, 222,1011,1012,1013,1015,1016,1017,
igr2= 227, 228, 229,
&end
#
# 0 AMB 20-2:5351 15 ILE QD1 3.50 (# 5351:20 Single Ambig)
&rst
ixpk= 5351, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.60, r4= 7.35,
igr1=1674,1675,1676,1678,1679,1680, 204, 205, 206, 208,
209, 210, 759, 760, 761,
igr2= 227, 228, 229,
&end
#
# 0 AMB 20-2:5352 15 ILE QD1 2.60 (# 5352:20 Single Ambig)
&rst
ixpk= 5352, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.27, r4= 6.02,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932, 192, 193, 194,1674,1675,1676,1678,1679,
1680, 189, 190,
igr2= 227, 228, 229,
&end
#
# 0 AMB 20-2:5353 156 MET ME 2.60 (# 5353:20 Single Ambig)
&rst
ixpk= 5353, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2568,2531,2532,2533,
igr2=2591,2592,2593,
&end
#
# 0 AMB 20-2:5354 1 MET ME 5.50 (# 5354:20 Single Ambig)
&rst
ixpk= 5354, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1= 27, 28, 29,1567,1568,
igr2= 15, 16, 17,
&end
#
# 2 ILE HG1- 1 MET ME 5.50 (# 5355:20 Unique 4.51, 6.31 A)
&rst
ixpk= 5355, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 31, 32,
igr2= 15, 16, 17,
&end
#
# 0 AMB 20-2:5356 148 MET ME 5.50 (# 5356:20 Single Ambig)
&rst
ixpk= 5356, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 202,2474,2475,
igr2=2464,2465,2466,
&end
#
# 147 VAL HB 148 MET ME 4.40 (# 5357:20 Unique 5.77, 7.38 A)
&rst
ixpk= 5357, nxpk= 20, iat=2441, -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
igr2=2464,2465,2466,
&end
#
# 58 VAL HB 23 MET ME 5.50 (# 5359:20 Unique 2.01, 4.52 A)
&rst
ixpk= 5359, nxpk= 20, iat= 898, -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr2= 350, 351, 352,
&end
#
# 0 AMB 20-2:5360 23 MET ME 5.50 (# 5360:20 Single Ambig)
&rst
ixpk= 5360, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1724,1725,1799,1800,
igr2= 350, 351, 352,
&end
#
# 23 MET HB+ 23 MET ME 3.50 (# 5361:20 Unique 2.15, 3.91 A)
&rst
ixpk= 5361, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 343, 344,
igr2= 350, 351, 352,
&end
#
# 0 AMB 20-2:5363 23 MET ME 5.50 (# 5363:20 Single Ambig)
&rst
ixpk= 5363, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 341, 358,
igr2= 350, 351, 352,
&end
#
# 0 AMB 20-2:5366 50 MET ME 3.50 (# 5366:20 Single Ambig)
&rst
ixpk= 5366, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1= 755, 756, 700, 701, 702,
igr2= 759, 760, 761,
&end
#
# 151 PHE HD 101 LEU HB- 5.50 (# 5367:20 Unique 2.55, 3.73 A)
&rst
ixpk= 5367, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2515,2523,
igr2=1669,1670,
&end
#
# 140 LYS HD- 140 LYS HG- 3.50 (# 5370:20 Unique 2.22, 2.63 A)
&rst
ixpk= 5370, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2304,2305,
igr2=2301,2302,
&end
#
# 113 MET ME 124 TRP HB- 5.50 (# 5372:20 Unique 2.83, 4.60 A)
&rst
ixpk= 5372, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1854,1855,1856,
igr2=1999,2000,
&end
#
# 124 TRP HN 124 TRP HB- 5.50 (# 5373:20 Unique 2.26, 3.25 A)
&rst
ixpk= 5373, nxpk= 20, iat=1995, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1999,2000,
&end
#
# 0 AMB 20-2:5375 0 AMB 20-1:5375 4.40 (# 5375:20 Double Ambig)
&rst
ixpk= 5375, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
igr1=1693,1694,1695,1697,1698,1699, 34, 35, 36,1058,
1059,1060,
igr2=1025,1026,1458,1459,1458,1459,1025,1026,
&end
#
# 66 ARG HG+ 66 ARG HB+ 2.60 (# 5376:20 Unique 2.26, 2.61 A)
&rst
ixpk= 5376, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1028,1029,
igr2=1025,1026,
&end
#
# 66 ARG HN 66 ARG HB+ 4.40 (# 5377:20 Unique 2.98, 3.49 A)
&rst
ixpk= 5377, nxpk= 20, iat=1021, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1025,1026,
&end
#
# 21 GLN HN 21 GLN HG+ 3.50 (# 5378:20 Unique 1.94, 3.20 A)
&rst
ixpk= 5378, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 313, 314,
&end
#
# 21 GLN HA 21 GLN HG+ 3.50 (# 5379:20 Unique 2.30, 3.18 A)
&rst
ixpk= 5379, nxpk= 20, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 313, 314,
&end
#
# 17 ASN HD2- 21 GLN HG+ 5.50 (# 5380:20 Unique 1.95, 3.97 A)
&rst
ixpk= 5380, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 253, 254,
igr2= 313, 314,
&end
#
# 17 ASN HD2- 21 GLN HG- 5.50 (# 5381:20 Unique 1.95, 3.97 A)
&rst
ixpk= 5381, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 253, 254,
igr2= 313, 314,
&end
#
# 17 ASN HD2+ 21 GLN HG- 5.50 (# 5382:20 Unique 1.95, 3.97 A)
&rst
ixpk= 5382, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 253, 254,
igr2= 313, 314,
&end
#
# 27 ARG HN 27 ARG HB+ 5.50 (# 5384:20 Unique 2.13, 3.03 A)
&rst
ixpk= 5384, nxpk= 20, iat= 414, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 418, 419,
&end
#
# 27 ARG HA 27 ARG HB+ 5.50 (# 5385:20 Unique 2.29, 2.49 A)
&rst
ixpk= 5385, nxpk= 20, iat= 416, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 418, 419,
&end
#
# 0 AMB 20-2:5386 0 AMB 20-1:5386 5.50 (# 5386:20 Double Ambig)
&rst
ixpk= 5386, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 472, 473, 883, 884,
igr2= 418, 419, 418, 419,
&end
#
# 64 ASP HN 63 LYS HG+ 4.40 (# 5388:20 Unique 2.25, 3.54 A)
&rst
ixpk= 5388, nxpk= 20, iat= 993, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 978, 979,
&end
#
# 64 ASP HN 63 LYS HG- 4.40 (# 5389:20 Unique 2.25, 3.54 A)
&rst
ixpk= 5389, nxpk= 20, iat= 993, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 978, 979,
&end
#
# 0 AMB 20-2:5390 63 LYS HD- 3.50 (# 5390:20 Single Ambig)
&rst
ixpk= 5390, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 978, 979, 978, 979,
igr2= 981, 982,
&end
#
# 0 AMB 20-2:5391 0 AMB 20-1:5391 2.60 (# 5391:20 Double Ambig)
&rst
ixpk= 5391, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 975, 976, 218,1480,1481,
igr2= 981, 982, 224, 225,1464,1465,
&end
#
# 63 LYS HA 63 LYS HD- 5.50 (# 5392:20 Unique 3.72, 4.21 A)
&rst
ixpk= 5392, nxpk= 20, iat= 973, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 981, 982,
&end
#
# 97 GLN HG+ 97 GLN HB- 2.60 (# 5393:20 Unique 2.21, 2.67 A)
&rst
ixpk= 5393, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1589,1590,
igr2=1586,1587,
&end
#
# 97 GLN HB- 97 GLN HG+ 2.60 (# 5394:20 Unique 2.21, 2.67 A)
&rst
ixpk= 5394, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1586,1587,
igr2=1589,1590,
&end
#
# 10 ASN HD2+ 97 GLN HG+ 4.40 (# 5396:20 Unique 4.81, 6.35 A)
&rst
ixpk= 5396, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 151, 152,
igr2=1589,1590,
&end
#
# 0 AMB 20-2:5397 0 AMB 20-1:5397 3.50 (# 5397:20 Double Ambig)
&rst
ixpk= 5397, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1594,1595,1594,1595,1594,1595,1555,1556,
igr2=1586,1587,1589,1590,1550,1551,
&end
#
# 97 GLN HB- 97 GLN HG- 2.60 (# 5398:20 Unique 2.21, 2.67 A)
&rst
ixpk= 5398, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1586,1587,
igr2=1589,1590,
&end
#
# 114 GLN HB- 114 GLN HG- 3.50 (# 5402:20 Unique 2.21, 2.70 A)
&rst
ixpk= 5402, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1864,1865,
igr2=1867,1868,
&end
#
# 103 GLN HG+ 103 GLN HB- 2.60 (# 5403:20 Unique 2.26, 2.69 A)
&rst
ixpk= 5403, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1710,1711,
igr2=1707,1708,
&end
#
# 48 GLN HG+ 48 GLN HA 2.60 (# 5406:20 Unique 2.62, 3.42 A)
&rst
ixpk= 5406, nxpk= 20, iat= -1, 723, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr1= 728, 729,
&end
#
# 48 GLN HB+ 48 GLN HA 3.50 (# 5407:20 Unique 2.41, 2.75 A)
&rst
ixpk= 5407, nxpk= 20, iat= -1, 723, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 725, 726,
&end
#
# 99 TRP HZ2 97 GLN HG+ 5.50 (# 5408:20 Unique 2.30, 3.57 A)
&rst
ixpk= 5408, nxpk= 20, iat=1634, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1589,1590,
&end
#
# 103 GLN HB- 103 GLN HG+ 2.60 (# 5409:20 Unique 2.26, 2.69 A)
&rst
ixpk= 5409, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1707,1708,
igr2=1710,1711,
&end
#
# 0 AMB 20-2:5410 0 AMB 20-1:5410 4.40 (# 5410:20 Double Ambig)
&rst
ixpk= 5410, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.98, r4= 7.73,
igr1= 265, 266,1028,1029,
igr2=1710,1711,1710,1711,
&end
#
# 0 AMB 20-2:5411 0 AMB 20-1:5411 3.50 (# 5411:20 Double Ambig)
&rst
ixpk= 5411, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
igr1=1745,1746,1747,1749,1750,1751,1073,1074,1075,1077,
1078,1079,2617,2618,2619,2621,2622,2623,
igr2=1710,1711,1710,1711,1710,1711,
&end
#
# 0 AMB 20-2:5412 0 AMB 20-1:5412 3.50 (# 5412:20 Double Ambig)
&rst
ixpk= 5412, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 919,1246,
igr2= 924,1251,1252,
&end
#
# 107 GLY HN 110 GLU HB- 4.40 (# 5413:20 Unique 2.66, 4.21 A)
&rst
ixpk= 5413, nxpk= 20, iat=1766, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1799,1800,
&end
#
# 154 VAL MGX 153 SER HB+ 4.40 (# 5414:20 Unique 3.25, 5.99 A)
&rst
ixpk= 5414, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2554,2555,2556,2558,2559,2560,
igr2=2541,2542,
&end
#
# 137 VAL MGY 138 SER HB- 3.50 (# 5415:20 Unique 3.30, 6.13 A)
&rst
ixpk= 5415, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2253,2254,2255,2257,2258,2259,
igr2=2267,2268,
&end
#
# 115 THR HN 114 GLN HG+ 5.50 (# 5417:20 Unique 3.28, 3.90 A)
&rst
ixpk= 5417, nxpk= 20, iat=1877, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1867,1868,
&end
#
# 0 AMB 20-2:5418 0 AMB 20-1:5418 3.50 (# 5418:20 Double Ambig)
&rst
ixpk= 5418, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 879,1560,
igr2= 886, 887,1550,1551,
&end
#
# 141 ARG HE 141 ARG HB- 5.50 (# 5419:20 Unique 2.04, 3.71 A)
&rst
ixpk= 5419, nxpk= 20, iat=2329, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2320,2321,
&end
#
# 0 AMB 20-2:5420 13 ILE HG1- 2.60 (# 5420:20 Single Ambig)
&rst
ixpk= 5420, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.82, r4= 4.57,
igr1= 755, 756, 829, 830, 183,
igr2= 189, 190,
&end
#
# 0 AMB 20-2:5421 0 AMB 20-1:5421 5.50 (# 5421:20 Double Ambig)
&rst
ixpk= 5421, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
igr1= 755, 756, 829, 830, 183,
igr2= 189, 190, 189, 190, 189, 190,
&end
#
# 11 VAL MGY 13 ILE QD1 3.50 (# 5422:20 Unique 1.99, 5.70 A)
&rst
ixpk= 5422, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1= 162, 163, 164, 166, 167, 168,
igr2= 192, 193, 194,
&end
#
# 0 AMB 20-2:5423 0 AMB 20-1:5423 3.50 (# 5423:20 Double Ambig)
&rst
ixpk= 5423, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.98, r4= 7.73,
igr1= 755, 756,1025,1026, 832,1688,1689,
igr2= 185, 186, 187,1745,1746,1747,1749,1750,1751,
&end
#
# 8 ARG HA 8 ARG HG+ 5.50 (# 5424:20 Unique 2.64, 3.01 A)
&rst
ixpk= 5424, nxpk= 20, iat= 106, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 111, 112,
&end
#
# 118 THR MG2 119 PRO HG+ 4.40 (# 5425:20 Unique 5.10, 6.48 A)
&rst
ixpk= 5425, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1=1919,1920,1921,
igr2=1931,1932,
&end
#
# 67 ILE HB 67 ILE QG2 3.50 (# 5426:20 Unique 2.22, 2.63 A)
&rst
ixpk= 5426, nxpk= 20, iat=1049, -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr2=1051,1052,1053,
&end
#
# 56 GLU HB+ 56 GLU HA 3.50 (# 5427:20 Unique 2.39, 2.73 A)
&rst
ixpk= 5427, nxpk= 20, iat= -1, 866, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 868, 869,
&end
#
# 146 ARG HA 146 ARG HG+ 3.50 (# 5428:20 Unique 2.09, 2.86 A)
&rst
ixpk= 5428, nxpk= 20, iat=2415, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2420,2421,
&end
#
# 104 LEU HN 104 LEU HA 3.50 (# 5429:20 Unique 2.80, 2.85 A)
&rst
ixpk= 5429, nxpk= 20, iat=1720,1722, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 79 LEU HN 78 LYS HA 3.50 (# 5430:20 Unique 2.14, 2.22 A)
&rst
ixpk= 5430, nxpk= 20, iat=1266,1246, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 94 GLY HA- 78 LYS HA 3.50 (# 5432:20 Unique 2.99, 3.53 A)
&rst
ixpk= 5432, nxpk= 20, iat= -1,1246, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1538,1539,
&end
#
# 38 GLY HN 37 GLN HB- 5.50 (# 5433:20 Unique 2.37, 3.35 A)
&rst
ixpk= 5433, nxpk= 20, iat= 602, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 589, 590,
&end
#
# 115 THR HB 115 THR MG2 2.60 (# 5434:20 Unique 2.25, 2.64 A)
&rst
ixpk= 5434, nxpk= 20, iat=1881, -1, r1= 0.00, r2= 1.80, r3= 3.12, r4= 3.87,
igr2=1883,1884,1885,
&end
#
# 134 ARG HN 133 VAL MGY 4.40 (# 5435:20 Unique 2.35, 4.76 A)
&rst
ixpk= 5435, nxpk= 20, iat=2190, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=2180,2181,2182,2184,2185,2186,
&end
#
# 130 TRP HA 133 VAL MGY 3.50 (# 5436:20 Unique 1.99, 3.76 A)
&rst
ixpk= 5436, nxpk= 20, iat=2117, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr2=2180,2181,2182,2184,2185,2186,
&end
#
# 0 AMB 20-2:5437 133 VAL MGY 4.40 (# 5437:20 Single Ambig)
&rst
ixpk= 5437, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2123,2231,
igr2=2180,2181,2182,2184,2185,2186,
&end
#
# 0 AMB 20-2:5438 133 VAL MGY 4.40 (# 5438:20 Single Ambig)
&rst
ixpk= 5438, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1=2115,2413,2527,
igr2=2180,2181,2182,2184,2185,2186,
&end
#
# 130 TRP HE3 133 VAL MGY 2.60 (# 5439:20 Unique 3.72, 6.77 A)
&rst
ixpk= 5439, nxpk= 20, iat=2134, -1, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,
igr2=2180,2181,2182,2184,2185,2186,
&end
#
# 0 AMB 20-2:5440 0 AMB 20-1:5440 4.40 (# 5440:20 Double Ambig)
&rst
ixpk= 5440, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 912, 913,1768,1769,1759,1760,
igr2=1845,1775,
&end
#
# 93 ILE HA 91 VAL MGX 4.40 (# 5441:20 Unique 4.12, 5.55 A)
&rst
ixpk= 5441, nxpk= 20, iat=1519, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 0 AMB 20-2:5442 91 VAL MGX 4.40 (# 5442:20 Single Ambig)
&rst
ixpk= 5442, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1=1440,1555,1556,
igr2=1496,1497,1498,1500,1501,1502,
&end
#
# 24 TRP HB+ 125 ARG HD- 4.40 (# 5443:20 Unique 3.52, 7.51 A)
&rst
ixpk= 5443, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 360, 361,
igr2=2029,2030,
&end
#
# 0 AMB 20-2:5444 60 LEU HB- 5.50 (# 5444:20 Single Ambig)
&rst
ixpk= 5444, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 900, 901, 902, 904, 905, 906, 900, 901, 902, 904,
905, 906,
igr2= 921, 922,
&end
#
# 58 VAL MGX 60 LEU HB+ 4.40 (# 5445:20 Unique 1.93, 4.79 A)
&rst
ixpk= 5445, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 900, 901, 902, 904, 905, 906,
igr2= 921, 922,
&end
#
# 0 AMB 20-2:5446 115 THR HB 4.40 (# 5446:20 Single Ambig)
&rst
ixpk= 5446, nxpk= 20, iat= -1,1881, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1893,1862,
&end
#
# 0 AMB 20-2:5447 127 VAL MGY 3.50 (# 5447:20 Single Ambig)
&rst
ixpk= 5447, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=2023,2024, 310, 311,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 124 TRP HB+ 23 MET ME 5.50 (# 5448:20 Unique 4.26, 6.29 A)
&rst
ixpk= 5448, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1999,2000,
igr2= 350, 351, 352,
&end
#
# 74 TRP HA 74 TRP HB- 5.50 (# 5449:20 Unique 2.38, 2.74 A)
&rst
ixpk= 5449, nxpk= 20, iat=1158, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1160,1161,
&end
#
# 74 TRP HD1 74 TRP HB- 5.50 (# 5450:20 Unique 2.56, 3.34 A)
&rst
ixpk= 5450, nxpk= 20, iat=1164, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1160,1161,
&end
#
# 74 TRP HN 74 TRP HB- 5.50 (# 5451:20 Unique 2.45, 3.07 A)
&rst
ixpk= 5451, nxpk= 20, iat=1156, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1160,1161,
&end
#
# 0 AMB 20-2:5452 0 AMB 20-1:5452 3.50 (# 5452:20 Double Ambig)
&rst
ixpk= 5452, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.01, r4= 8.76,
igr1=1510,1511,2587,2588,2587,2588,1850,1851, 237, 238,
11, 12,
igr2=1483,1484,2634,2635,2634,2635,1867,1868,2634,2635,
1483,1484,
&end
#
# 114 GLN HE2+ 114 GLN HG- 5.50 (# 5453:20 Unique 2.22, 3.41 A)
&rst
ixpk= 5453, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1872,1873,
igr2=1867,1868,
&end
#
# 114 GLN HA 114 GLN HG- 5.50 (# 5454:20 Unique 3.56, 3.79 A)
&rst
ixpk= 5454, nxpk= 20, iat=1862, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1867,1868,
&end
#
# 103 GLN HB+ 103 GLN HA 3.50 (# 5455:20 Unique 2.24, 2.62 A)
&rst
ixpk= 5455, nxpk= 20, iat= -1,1705, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1707,1708,
&end
#
# 103 GLN HG+ 103 GLN HB+ 2.60 (# 5456:20 Unique 2.26, 2.69 A)
&rst
ixpk= 5456, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1=1710,1711,
igr2=1707,1708,
&end
#
# 0 AMB 20-2:5457 0 AMB 20-1:5457 2.60 (# 5457:20 Double Ambig)
&rst
ixpk= 5457, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.96, r4= 5.71,
igr1=1073,1074,1075,1077,1078,1079,2617,2618,2619,2621,
2622,2623,
igr2=1707,1708,1707,1708,
&end
#
# 0 AMB 20-2:5458 0 AMB 20-1:5458 2.60 (# 5458:20 Double Ambig)
&rst
ixpk= 5458, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.13, r4= 4.88,
igr1=1028,1029, 418, 419,
igr2=1707,1708, 578, 579,
&end
#
# 0 AMB 20-2:5459 0 AMB 20-1:5459 5.50 (# 5459:20 Double Ambig)
&rst
ixpk= 5459, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 183, 418, 419,
igr2= 578, 579, 578, 579,
&end
#
# 0 AMB 20-2:5460 0 AMB 20-1:5460 5.50 (# 5460:20 Double Ambig)
&rst
ixpk= 5460, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3=14.32, r4=15.07,
igr1= 185, 186, 187, 834, 835, 836, 838, 839, 840, 834,
835, 836, 838, 839, 840, 224, 225, 162, 163, 164,
166, 167, 168, 227, 228, 229,
igr2= 578, 579, 578, 579, 578, 579, 578, 579, 578, 579,
578, 579,
&end
#
# 41 ASN HB- 42 PRO HG- 4.40 (# 5461:20 Unique 3.65, 5.03 A)
&rst
ixpk= 5461, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 639, 640,
igr2= 653, 654,
&end
#
# 0 AMB 20-2:5462 37 GLN HA 5.50 (# 5462:20 Single Ambig)
&rst
ixpk= 5462, nxpk= 20, iat= -1, 587, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 578, 579, 160,
&end
#
# 0 AMB 20-2:5466 0 AMB 20-1:5466 5.50 (# 5466:20 Double Ambig)
&rst
ixpk= 5466, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1= 742, 743, 744, 626, 627,
igr2= 650, 651, 650, 651,
&end
#
# 68 LEU HG 68 LEU HA 3.50 (# 5467:20 Unique 3.13, 3.25 A)
&rst
ixpk= 5467, nxpk= 20, iat=1071,1066, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 66 ARG HG+ 68 LEU HB- 5.50 (# 5468:20 Unique 4.97, 5.86 A)
&rst
ixpk= 5468, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1028,1029,
igr2=1068,1069,
&end
#
# 27 ARG HB+ 30 GLN HG+ 4.40 (# 5469:20 Unique 2.14, 9.67 A)
&rst
ixpk= 5469, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 418, 419,
igr2= 472, 473,
&end
#
# 103 GLN HE2- 103 GLN HG+ 3.50 (# 5470:20 Unique 2.12, 3.35 A)
&rst
ixpk= 5470, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1715,1716,
igr2=1710,1711,
&end
#
# 103 GLN HE2+ 103 GLN HG+ 3.50 (# 5471:20 Unique 2.12, 3.35 A)
&rst
ixpk= 5471, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1715,1716,
igr2=1710,1711,
&end
#
# 2 ILE HG1+ 1 MET ME 5.50 (# 5472:20 Unique 4.51, 6.31 A)
&rst
ixpk= 5472, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 31, 32,
igr2= 15, 16, 17,
&end
#
# 144 TYR HN 143 VAL HB 3.55 (# 5473:20 Unique 3.87, 3.93 A)
&rst
ixpk= 5473, nxpk= 20, iat=2368,2356, r1= 0.00, r2= 1.80, r3= 3.55, r4= 4.30, &end
#
# 83 LEU HN 84 VAL HA 5.50 (# 5474:20 Unique 4.59, 4.68 A)
&rst
ixpk= 5474, nxpk= 20, iat=1345,1366, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 91 VAL MGY 90 PRO HB- 5.50 (# 5475:20 Unique 5.80, 7.40 A)
&rst
ixpk= 5475, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1496,1497,1498,1500,1501,1502,
igr2=1483,1484,
&end
#
# 0 AMB 20-2:5476 90 PRO HB- 4.40 (# 5476:20 Single Ambig)
&rst
ixpk= 5476, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=1490,1506,
igr2=1483,1484,
&end
#
# 0 AMB 20-2:5477 90 PRO HB- 5.50 (# 5477:20 Single Ambig)
&rst
ixpk= 5477, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1461,1462, 31, 32,
igr2=1483,1484,
&end
#
# 2 ILE QG2 90 PRO HB- 4.40 (# 5478:20 Unique 3.51, 5.35 A)
&rst
ixpk= 5478, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr1= 27, 28, 29,
igr2=1483,1484,
&end
#
# 0 AMB 20-2:5479 13 ILE QD1 3.50 (# 5479:20 Single Ambig)
&rst
ixpk= 5479, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 578, 579, 160,
igr2= 192, 193, 194,
&end
#
# 139 PHE HN 138 SER HB+ 3.50 (# 5481:20 Unique 2.75, 3.67 A)
&rst
ixpk= 5481, nxpk= 20, iat=2274, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=2267,2268,
&end
#
# 23 MET HN 22 VAL HB 5.50 (# 5482:20 Unique 2.37, 3.45 A)
&rst
ixpk= 5482, nxpk= 20, iat= 339, 327, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 GLN HN 33 TRP HA 3.50 (# 5483:20 Unique 2.14, 2.18 A)
&rst
ixpk= 5483, nxpk= 20, iat= 534, 512, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 126 TRP HZ2 108 ASP HB+ 5.50 (# 5486:20 Unique 2.33, 3.10 A)
&rst
ixpk= 5486, nxpk= 20, iat=2056, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1777,1778,
&end
#
# 132 PRO HB- 125 ARG HD- 5.50 (# 5487:20 Unique 7.51,10.69 A)
&rst
ixpk= 5487, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2167,2168,
igr2=2029,2030,
&end
#
# 132 PRO HD+ 127 VAL MGX 5.50 (# 5489:20 Unique 1.99, 5.10 A)
&rst
ixpk= 5489, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2161,2162,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 82 ARG HN 81 LYS HA 4.40 (# 5490:20 Unique 3.41, 3.47 A)
&rst
ixpk= 5490, nxpk= 20, iat=1321,1301, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 0 AMB 20-2:5491 0 AMB 20-1:5491 2.80 (# 5491:20 Double Ambig)
&rst
ixpk= 5491, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1913,1345,
igr2=1915,1323,
&end
#
# 0 AMB 20-2:5493 84 VAL HB 5.50 (# 5493:20 Single Ambig)
&rst
ixpk= 5493, nxpk= 20, iat= -1,1368, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1380,1506,
&end
#
# 86 TRP HN 85 ARG HB+ 4.40 (# 5494:20 Unique 3.59, 4.12 A)
&rst
ixpk= 5494, nxpk= 20, iat=1404, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2=1384,1385,
&end
#
# 18 ARG HN 18 ARG HB- 3.50 (# 5495:20 Unique 2.13, 2.95 A)
&rst
ixpk= 5495, nxpk= 20, iat= 258, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 262, 263,
&end
#
# 0 AMB 20-2:5497 123 GLY HA- 5.50 (# 5497:20 Single Ambig)
&rst
ixpk= 5497, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1812, 392,
igr2=1990,1991,
&end
#
# 23 MET HN 126 TRP HA 5.50 (# 5498:20 Unique 4.89, 5.13 A)
&rst
ixpk= 5498, nxpk= 20, iat= 339,2045, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 TRP HA 12 GLY HA+ 5.50 (# 5499:20 Unique 2.93, 4.24 A)
&rst
ixpk= 5499, nxpk= 20, iat=1623, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 174, 175,
&end
#
# 65 VAL HA 104 LEU HA 4.40 (# 5500:20 Unique 2.66, 2.97 A)
&rst
ixpk= 5500, nxpk= 20, iat=1007,1722, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 0 AMB 20-2:5502 120 GLU HA 5.50 (# 5502:20 Single Ambig)
&rst
ixpk= 5502, nxpk= 20, iat= -1,1943, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 416,1915,1845,
&end
#
# 29 GLY HA- 28 PHE HA 5.50 (# 5503:20 Unique 4.35, 4.41 A)
&rst
ixpk= 5503, nxpk= 20, iat= -1, 440, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 460, 461,
&end
#
# 74 TRP HA 98 LYS HA 5.50 (# 5505:20 Unique 3.88, 4.53 A)
&rst
ixpk= 5505, nxpk= 20, iat=1158,1601, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 37 GLN HA 12 GLY HA- 5.50 (# 5508:20 Unique 2.32, 3.76 A)
&rst
ixpk= 5508, nxpk= 20, iat= 587, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 174, 175,
&end
#
# 49 ALA HN 46 ALA HA 5.50 (# 5509:20 Unique 3.88, 3.97 A)
&rst
ixpk= 5509, nxpk= 20, iat= 738, 698, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 49 ALA HN 48 GLN HB+ 4.40 (# 5510:20 Unique 2.47, 3.05 A)
&rst
ixpk= 5510, nxpk= 20, iat= 738, -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr2= 725, 726,
&end
#
# 52 ARG HB- 49 ALA HA 5.50 (# 5511:20 Unique 2.39, 3.49 A)
&rst
ixpk= 5511, nxpk= 20, iat= -1, 740, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 790, 791,
&end
#
# 0 AMB 20-2:5512 0 AMB 20-1:5512 5.50 (# 5512:20 Double Ambig)
&rst
ixpk= 5512, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 748,1995,
igr2= 740,2021,
&end
#
# 53 GLU HN 49 ALA HA 5.50 (# 5513:20 Unique 3.49, 3.80 A)
&rst
ixpk= 5513, nxpk= 20, iat= 810, 740, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 ARG HN 51 TYR HB+ 5.50 (# 5514:20 Unique 2.65, 2.99 A)
&rst
ixpk= 5514, nxpk= 20, iat= 786, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 769, 770,
&end
#
# 55 PHE HN 51 TYR HA 5.50 (# 5515:20 Unique 4.23, 4.67 A)
&rst
ixpk= 5515, nxpk= 20, iat= 844, 767, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:5517 52 ARG HA 5.50 (# 5517:20 Single Ambig)
&rst
ixpk= 5517, nxpk= 20, iat= -1, 788, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 864, 879,
&end
#
# 0 AMB 20-2:5518 53 GLU HA 3.50 (# 5518:20 Single Ambig)
&rst
ixpk= 5518, nxpk= 20, iat= -1, 812, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 864, 879,
&end
#
# 0 AMB 20-2:5519 55 PHE HA 5.50 (# 5519:20 Single Ambig)
&rst
ixpk= 5519, nxpk= 20, iat= -1, 846, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 894, 854, 858,
&end
#
# 0 AMB 20-2:5520 128 SER HA 5.50 (# 5520:20 Single Ambig)
&rst
ixpk= 5520, nxpk= 20, iat= -1,2085, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2115,2128,
&end
#
# 130 TRP HN 129 TYR HA 5.50 (# 5521:20 Unique 3.37, 3.41 A)
&rst
ixpk= 5521, nxpk= 20, iat=2115,2096, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 131 TYR HN 130 TRP HA 5.50 (# 5522:20 Unique 3.07, 3.21 A)
&rst
ixpk= 5522, nxpk= 20, iat=2139,2117, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 136 VAL MGY 133 VAL HA 5.50 (# 5523:20 Unique 1.93, 3.75 A)
&rst
ixpk= 5523, nxpk= 20, iat= -1,2176, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2237,2238,2239,2241,2242,2243,
&end
#
# 141 ARG HN 140 LYS HA 5.50 (# 5524:20 Unique 2.67, 2.97 A)
&rst
ixpk= 5524, nxpk= 20, iat=2316,2296, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 143 VAL HN 140 LYS HA 5.50 (# 5525:20 Unique 3.25, 3.42 A)
&rst
ixpk= 5525, nxpk= 20, iat=2352,2296, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 143 VAL MGY 140 LYS HA 5.50 (# 5526:20 Unique 2.03, 4.40 A)
&rst
ixpk= 5526, nxpk= 20, iat= -1,2296, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2358,2359,2360,2362,2363,2364,
&end
#
# 141 ARG HN 140 LYS HB- 5.50 (# 5527:20 Unique 3.59, 4.21 A)
&rst
ixpk= 5527, nxpk= 20, iat=2316, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2298,2299,
&end
#
# 144 TYR HN 141 ARG HA 5.50 (# 5528:20 Unique 3.48, 3.65 A)
&rst
ixpk= 5528, nxpk= 20, iat=2368,2318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:5529 0 AMB 20-1:5529 5.50 (# 5529:20 Double Ambig)
&rst
ixpk= 5529, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2453,2340,
igr2=2457,2458,2320,2321,
&end
#
# 143 VAL MGY 142 ASP HB+ 3.50 (# 5530:20 Unique 3.82, 6.33 A)
&rst
ixpk= 5530, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2358,2359,2360,2362,2363,2364,
igr2=2344,2345,
&end
#
# 144 TYR HN 143 VAL HA 5.50 (# 5531:20 Unique 3.53, 3.55 A)
&rst
ixpk= 5531, nxpk= 20, iat=2368,2354, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 145 ARG HN 144 TYR HA 5.50 (# 5532:20 Unique 3.49, 3.50 A)
&rst
ixpk= 5532, nxpk= 20, iat=2389,2370, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 20-2:5533 0 AMB 20-1:5533 2.60 (# 5533:20 Double Ambig)
&rst
ixpk= 5533, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2668,2669,2413,
igr2=2648,2649,2393,2394,
&end
#
# 149 LYS HB- 146 ARG HA 3.50 (# 5534:20 Unique 1.98, 2.67 A)
&rst
ixpk= 5534, nxpk= 20, iat= -1,2415, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2474,2475,
&end
#
# 149 LYS HN 148 MET HA 4.40 (# 5535:20 Unique 3.37, 3.42 A)
&rst
ixpk= 5535, nxpk= 20, iat=2470,2455, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 151 PHE HN 148 MET HA 5.50 (# 5536:20 Unique 3.16, 3.26 A)
&rst
ixpk= 5536, nxpk= 20, iat=2507,2455, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 151 PHE HN 150 GLU HA 3.50 (# 5537:20 Unique 3.47, 3.50 A)
&rst
ixpk= 5537, nxpk= 20, iat=2507,2494, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 20-2:5539 0 AMB 20-1:5539 5.50 (# 5539:20 Double Ambig)
&rst
ixpk= 5539, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 788,1106,
igr2= 723,2494,
&end
#
# 155 VAL HN 152 ALA HA 4.40 (# 5540:20 Unique 3.10, 3.33 A)
&rst
ixpk= 5540, nxpk= 20, iat=2564,2529, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 0 AMB 20-2:5541 152 ALA HA 5.50 (# 5541:20 Single Ambig)
&rst
ixpk= 5541, nxpk= 20, iat= -1,2529, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2580,2094,
&end
#
# 21 GLN HA 21 GLN HG- 3.50 (# 5542:20 Unique 2.30, 3.18 A)
&rst
ixpk= 5542, nxpk= 20, iat= 308, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 313, 314,
&end
#
# 17 ASN HD2- 0 AMB 20-1:5543 4.40 (# 5543:20 Single Ambig)
&rst
ixpk= 5543, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 253, 254,
igr2= 313, 314, 289, 290,
&end
#
# 17 ASN HD2- 21 GLN HG- 5.50 (# 5544:20 Unique 1.95, 3.97 A)
&rst
ixpk= 5544, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 253, 254,
igr2= 313, 314,
&end
#
# 21 GLN HN 21 GLN HG+ 3.50 (# 5547:20 Unique 1.94, 3.20 A)
&rst
ixpk= 5547, nxpk= 20, iat= 306, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2= 313, 314,
&end
#
# 103 GLN HN 103 GLN HB+ 5.50 (# 5549:20 Unique 2.09, 2.73 A)
&rst
ixpk= 5549, nxpk= 20, iat=1703, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1707,1708,
&end
#
# 103 GLN HA 103 GLN HB- 5.50 (# 5550:20 Unique 2.24, 2.62 A)
&rst
ixpk= 5550, nxpk= 20, iat=1705, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1707,1708,
&end
#
# 103 GLN HN 103 GLN HB+ 5.50 (# 5551:20 Unique 2.09, 2.73 A)
&rst
ixpk= 5551, nxpk= 20, iat=1703, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1707,1708,
&end
#
# 68 LEU HG 103 GLN HB- 3.50 (# 5552:20 Unique 2.76, 3.55 A)
&rst
ixpk= 5552, nxpk= 20, iat=1071, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1707,1708,
&end
#
# 135 GLN HN 132 PRO HA 5.50 (# 5553:20 Unique 3.04, 3.20 A)
&rst
ixpk= 5553, nxpk= 20, iat=2214,2170, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 133 VAL HN 132 PRO HA 4.40 (# 5554:20 Unique 2.46, 3.42 A)
&rst
ixpk= 5554, nxpk= 20, iat=2174,2170, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15, &end
#
# 0 AMB 20-2:5555 132 PRO HA 4.40 (# 5555:20 Single Ambig)
&rst
ixpk= 5555, nxpk= 20, iat= -1,2170, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1=2221,2222,2167,2168,
&end
#
# 132 PRO HB- 132 PRO HA 4.40 (# 5556:20 Unique 2.30, 2.51 A)
&rst
ixpk= 5556, nxpk= 20, iat= -1,2170, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=2167,2168,
&end
#
# 132 PRO HA 132 PRO HB+ 5.50 (# 5557:20 Unique 2.30, 2.51 A)
&rst
ixpk= 5557, nxpk= 20, iat=2170, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2167,2168,
&end
#
# 127 VAL MGY 132 PRO HB- 5.50 (# 5558:20 Unique 3.19, 6.44 A)
&rst
ixpk= 5558, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2073,2074,2075,2077,2078,2079,
igr2=2167,2168,
&end
#
# 127 VAL MGY 132 PRO HB+ 5.50 (# 5559:20 Unique 3.19, 6.44 A)
&rst
ixpk= 5559, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2073,2074,2075,2077,2078,2079,
igr2=2167,2168,
&end
#
# 0 AMB 20-2:5560 132 PRO HB- 5.50 (# 5560:20 Single Ambig)
&rst
ixpk= 5560, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2378,2383,2174,
igr2=2167,2168,
&end
#
# 33 TRP HN 32 SER HA 3.50 (# 5561:20 Unique 2.14, 2.27 A)
&rst
ixpk= 5561, nxpk= 20, iat= 510, 501, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 SER HN 31 HIS HA 5.50 (# 5562:20 Unique 2.59, 2.96 A)
&rst
ixpk= 5562, nxpk= 20, iat= 499, 484, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 33 TRP HN 33 TRP HA 5.50 (# 5563:20 Unique 2.90, 2.92 A)
&rst
ixpk= 5563, nxpk= 20, iat= 510, 512, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 GLN HN 33 TRP HA 5.50 (# 5564:20 Unique 2.14, 2.18 A)
&rst
ixpk= 5564, nxpk= 20, iat= 534, 512, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 81 LYS HN 81 LYS HB- 2.60 (# 5565:20 Unique 2.18, 3.00 A)
&rst
ixpk= 5565, nxpk= 20, iat=1299, -1, r1= 0.00, r2= 1.80, r3= 2.92, r4= 3.67,
igr2=1303,1304,
&end
#
# 0 AMB 20-2:5566 0 AMB 20-1:5566 3.50 (# 5566:20 Double Ambig)
&rst
ixpk= 5566, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1321,1665,
igr2=1303,1304, 202,
&end
#
# 82 ARG HN 81 LYS HB- 3.50 (# 5567:20 Unique 2.78, 3.48 A)
&rst
ixpk= 5567, nxpk= 20, iat=1321, -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr2=1303,1304,
&end
#
# 80 PRO HG+ 82 ARG HA 5.50 (# 5569:20 Unique 5.18, 5.95 A)
&rst
ixpk= 5569, nxpk= 20, iat= -1,1323, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1289,1290,
&end
#
# 0 AMB 20-2:5570 20 GLY HA- 5.50 (# 5570:20 Single Ambig)
&rst
ixpk= 5570, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 282,2608,
igr2= 301, 302,
&end
#
# 0 AMB 20-2:5571 18 ARG HG- 4.40 (# 5571:20 Single Ambig)
&rst
ixpk= 5571, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 282,2608,
igr2= 265, 266,
&end
#
# 0 AMB 20-2:5572 0 AMB 20-1:5572 3.50 (# 5572:20 Double Ambig)
&rst
ixpk= 5572, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1881,1917,
igr2=1895,1896,1895,1896,
&end
#
# 0 AMB 20-2:5573 115 THR HA 4.40 (# 5573:20 Single Ambig)
&rst
ixpk= 5573, nxpk= 20, iat= -1,1879, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1893,1862,
&end
#
# 84 VAL MGY 85 ARG HA 5.50 (# 5574:20 Unique 4.06, 5.96 A)
&rst
ixpk= 5574, nxpk= 20, iat= -1,1382, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1370,1371,1372,1374,1375,1376,
&end
#
# 100 PHE HD 14 VAL MGY 5.50 (# 5575:20 Unique 5.82, 8.96 A)
&rst
ixpk= 5575, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1653,1661,
igr2= 204, 205, 206, 208, 209, 210,
&end
#
# 32 SER HN 30 GLN HB- 5.50 (# 5577:20 Unique 2.34, 3.31 A)
&rst
ixpk= 5577, nxpk= 20, iat= 499, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 469, 470,
&end
#
# 57 GLU HB- 58 VAL MGY 4.40 (# 5578:20 Unique 2.47, 5.55 A)
&rst
ixpk= 5578, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 883, 884,
igr2= 900, 901, 902, 904, 905, 906,
&end
#
# 0 AMB 20-2:5579 15 ILE QD1 4.40 (# 5579:20 Single Ambig)
&rst
ixpk= 5579, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1= 343, 344, 575, 576,
igr2= 227, 228, 229,
&end
#
# 97 GLN HE2+ 143 VAL MGY 5.50 (# 5580:20 Unique 2.58, 6.24 A)
&rst
ixpk= 5580, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1594,1595,
igr2=2358,2359,2360,2362,2363,2364,
&end
#
# 119 PRO HD- 119 PRO HA 5.50 (# 5581:20 Unique 3.60, 3.85 A)
&rst
ixpk= 5581, nxpk= 20, iat= -1,1937, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1928,1929,
&end
#
# 0 AMB 20-2:5583 0 AMB 20-1:5583 4.40 (# 5583:20 Double Ambig)
&rst
ixpk= 5583, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1= 448, 452, 854, 858,
igr2=1917,1881,
&end
#
# 0 AMB 20-2:5584 42 PRO HA 4.40 (# 5584:20 Single Ambig)
&rst
ixpk= 5584, nxpk= 20, iat= -1, 659, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
igr1= 665, 666, 6, 23,
&end
#
# 0 AMB 20-2:5585 75 LEU MDY 3.50 (# 5585:20 Single Ambig)
&rst
ixpk= 5585, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2413,1634,
igr2=1189,1190,1191,1193,1194,1195,
&end
#
# 103 GLN HE2- 68 LEU MDX 5.50 (# 5586:20 Unique 1.97, 5.74 A)
&rst
ixpk= 5586, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1715,1716,
igr2=1073,1074,1075,1077,1078,1079,
&end
#
# 0 AMB 20-2:5589 116 SER HB- 5.50 (# 5589:20 Single Ambig)
&rst
ixpk= 5589, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1904,1845,
igr2=1895,1896,
&end
#
# 0 AMB 20-2:5590 0 AMB 20-1:5590 4.40 (# 5590:20 Double Ambig)
&rst
ixpk= 5590, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.12, r4= 7.87,
igr1=1904,1915,1845,
igr2=1895,1896,1895,1896,1895,1896,
&end
#
# 0 AMB 20-2:5591 145 ARG HA 5.50 (# 5591:20 Single Ambig)
&rst
ixpk= 5591, nxpk= 20, iat= -1,2391, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2342,2472,
&end
#
# 0 AMB 20-2:5592 89 LYS HA 4.40 (# 5592:20 Single Ambig)
&rst
ixpk= 5592, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
igr1=1442,1406,
&end
#
# 0 AMB 20-2:5593 158 LEU MDY 2.60 (# 5593:20 Single Ambig)
&rst
ixpk= 5593, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=2570,2571,2572,2574,2575,2576,2554,2555,2556,2558,
2559,2560,1073,1074,1075,1077,1078,1079,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 0 AMB 20-2:5594 0 AMB 20-1:5594 4.40 (# 5594:20 Double Ambig)
&rst
ixpk= 5594, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.98, r4= 7.73,
igr1=1206,1207,1570,1571,
igr2=1203,1204,1203,1204,
&end
#
# 0 AMB 20-2:5595 67 ILE QG2 5.50 (# 5595:20 Single Ambig)
&rst
ixpk= 5595, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1691,1028,1029,
igr2=1051,1052,1053,
&end
#
# 102 LEU HB- 67 ILE QG2 5.50 (# 5596:20 Unique 3.46, 5.70 A)
&rst
ixpk= 5596, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1688,1689,
igr2=1051,1052,1053,
&end
#
# 132 PRO HB- 127 VAL MGX 4.40 (# 5597:20 Unique 3.19, 6.44 A)
&rst
ixpk= 5597, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.66, r4= 7.41,
igr1=2167,2168,
igr2=2073,2074,2075,2077,2078,2079,
&end
#
# 65 VAL HB 102 LEU MDX 4.40 (# 5599:20 Unique 1.96, 5.82 A)
&rst
ixpk= 5599, nxpk= 20, iat=1009, -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
igr2=1693,1694,1695,1697,1698,1699,
&end
#
# 0 AMB 20-2:5600 53 GLU HA 2.60 (# 5600:20 Single Ambig)
&rst
ixpk= 5600, nxpk= 20, iat= -1, 812, r1= 0.00, r2= 1.80, r3= 3.28, r4= 4.03,
igr1= 814, 815, 793, 794,
&end
#
# 88 THR MG2 89 LYS HA 5.50 (# 5601:20 Unique 4.25, 5.14 A)
&rst
ixpk= 5601, nxpk= 20, iat= -1,1456, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1446,1447,1448,
&end
#
# 113 MET HG+ 58 VAL HA 5.50 (# 5603:20 Unique 2.56, 3.96 A)
&rst
ixpk= 5603, nxpk= 20, iat= -1, 896, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1850,1851,
&end
#
# 18 ARG HE 158 LEU MDY 5.50 (# 5604:20 Unique 1.93, 6.68 A)
&rst
ixpk= 5604, nxpk= 20, iat= 271, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr2=2617,2618,2619,2621,2622,2623,
&end
#
# 0 AMB 20-2:5605 0 AMB 20-1:5605 5.50 (# 5605:20 Double Ambig)
&rst
ixpk= 5605, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2316,2123,
igr2=2320,2321,2457,2458,
&end
#
# 0 AMB 20-2:5606 47 GLU HA 4.40 (# 5606:20 Single Ambig)
&rst
ixpk= 5606, nxpk= 20, iat= -1, 708, r1= 0.00, r2= 1.80, r3= 6.56, r4= 7.31,
igr1=1058,1059,1060,1693,1694,1695,1697,1698,1699,1609,
1610,
&end
#
# 0 AMB 20-2:5607 0 AMB 20-1:5607 4.40 (# 5607:20 Double Ambig)
&rst
ixpk= 5607, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
igr1=1442,1741,
igr2=1458,1459,1025,1026,
&end
#
# 111 ILE HG1- 109 ALA MB 5.50 (# 5608:20 Unique 6.21, 7.47 A)
&rst
ixpk= 5608, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1820,1821,
igr2=1789,1790,1791,
&end
#
# 127 VAL MGY 22 VAL MGX 2.60 (# 5609:20 Unique 2.06, 6.68 A)
&rst
ixpk= 5609, nxpk= 20, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2073,2074,2075,2077,2078,2079,
igr2= 329, 330, 331, 333, 334, 335,
&end
#
# 0 AMB 10-2:0 0 AMB 10-1:0 3.50 (# 0:10 Double Ambig)
&rst
ixpk= 0, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
igr1= 25,2023,2024,
igr2= 21,2043,
&end
#
# 0 AMB 10-2:1 0 AMB 10-1:1 5.50 (# 1:10 Double Ambig)
&rst
ixpk= 1, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2029,2030, 44, 45,
igr2=2043, 21,
&end
#
# 125 ARG HA 126 TRP HN 2.80 (# 2:10 Unique 2.14, 2.21 A)
&rst
ixpk= 2, nxpk= 10, iat=2021,2043, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 126 TRP HA 126 TRP HN 5.50 (# 3:10 Unique 2.90, 2.94 A)
&rst
ixpk= 3, nxpk= 10, iat=2045,2043, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 126 TRP HD1 126 TRP HN 4.20 (# 4:10 Unique 2.87, 3.32 A)
&rst
ixpk= 4, nxpk= 10, iat=2051,2043, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 127 VAL HN 126 TRP HN 5.50 (# 5:10 Unique 4.30, 4.47 A)
&rst
ixpk= 5, nxpk= 10, iat=2067,2043, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 126 TRP HB+ 126 TRP HN 2.80 (# 6:10 Unique 2.41, 3.12 A)
&rst
ixpk= 6, nxpk= 10, iat= -1,2043, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2047,2048,
&end
#
# 2 ILE QG2 3 ASP HN 2.80 (# 7:10 Unique 2.56, 3.67 A)
&rst
ixpk= 7, nxpk= 10, iat= -1, 40, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 27, 28, 29,
&end
#
# 0 AMB 10-2:8 3 ASP HN 3.00 (# 8:10 Single Ambig)
&rst
ixpk= 8, nxpk= 10, iat= -1, 40, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 108, 109, 108, 109, 132, 133, 111, 112,
&end
#
# 3 ASP HB+ 3 ASP HN 2.80 (# 9:10 Unique 2.15, 2.87 A)
&rst
ixpk= 9, nxpk= 10, iat= -1, 40, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 44, 45,
&end
#
# 9 PRO HD+ 3 ASP HN 4.20 (# 10:10 Unique 3.15, 3.47 A)
&rst
ixpk= 10, nxpk= 10, iat= -1, 40, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 129, 130,
&end
#
# 2 ILE HA 3 ASP HN 2.80 (# 11:10 Unique 2.14, 2.15 A)
&rst
ixpk= 11, nxpk= 10, iat= 23, 40, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 8 ARG HA 3 ASP HN 5.50 (# 13:10 Unique 2.97, 3.42 A)
&rst
ixpk= 13, nxpk= 10, iat= 106, 40, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 5 ASP HN 4 ASP HN 3.50 (# 14:10 Unique 1.77, 2.47 A)
&rst
ixpk= 14, nxpk= 10, iat= 64, 52, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 4 ASP HA 4 ASP HN 2.80 (# 15:10 Unique 2.79, 2.88 A)
&rst
ixpk= 15, nxpk= 10, iat= 54, 52, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 3 ASP HA 4 ASP HN 3.50 (# 16:10 Unique 2.32, 2.88 A)
&rst
ixpk= 16, nxpk= 10, iat= 42, 52, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 4 ASP HB- 4 ASP HN 2.80 (# 17:10 Unique 2.25, 2.68 A)
&rst
ixpk= 17, nxpk= 10, iat= -1, 52, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 56, 57,
&end
#
# 3 ASP HB+ 4 ASP HN 3.50 (# 18:10 Unique 1.83, 2.71 A)
&rst
ixpk= 18, nxpk= 10, iat= -1, 52, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 44, 45,
&end
#
# 4 ASP HB+ 4 ASP HN 2.80 (# 19:10 Unique 2.25, 2.68 A)
&rst
ixpk= 19, nxpk= 10, iat= -1, 52, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 56, 57,
&end
#
# 6 GLY HN 5 ASP HN 2.80 (# 20:10 Unique 2.00, 2.14 A)
&rst
ixpk= 20, nxpk= 10, iat= 76, 64, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 5 ASP HA 5 ASP HN 2.80 (# 21:10 Unique 2.88, 2.93 A)
&rst
ixpk= 21, nxpk= 10, iat= 66, 64, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 4 ASP HA 5 ASP HN 3.50 (# 22:10 Unique 3.17, 3.28 A)
&rst
ixpk= 22, nxpk= 10, iat= 54, 64, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 5 ASP HB- 5 ASP HN 2.80 (# 23:10 Unique 2.11, 2.79 A)
&rst
ixpk= 23, nxpk= 10, iat= -1, 64, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 68, 69,
&end
#
# 5 ASP HB+ 5 ASP HN 2.80 (# 24:10 Unique 2.11, 2.79 A)
&rst
ixpk= 24, nxpk= 10, iat= -1, 64, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 68, 69,
&end
#
# 4 ASP HB- 5 ASP HN 5.50 (# 25:10 Unique 1.74, 3.78 A)
&rst
ixpk= 25, nxpk= 10, iat= -1, 64, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 56, 57,
&end
#
# 5 ASP HN 6 GLY HN 2.80 (# 26:10 Unique 2.00, 2.14 A)
&rst
ixpk= 26, nxpk= 10, iat= 64, 76, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 5 ASP HA 6 GLY HN 5.50 (# 27:10 Unique 3.08, 3.34 A)
&rst
ixpk= 27, nxpk= 10, iat= 66, 76, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 6 GLY HA+ 6 GLY HN 3.50 (# 28:10 Unique 2.30, 2.65 A)
&rst
ixpk= 28, nxpk= 10, iat= -1, 76, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 78, 79,
&end
#
# 6 GLY HA- 6 GLY HN 3.50 (# 29:10 Unique 2.30, 2.65 A)
&rst
ixpk= 29, nxpk= 10, iat= -1, 76, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 78, 79,
&end
#
# 4 ASP HA 6 GLY HN 5.50 (# 30:10 Unique 3.53, 3.83 A)
&rst
ixpk= 30, nxpk= 10, iat= 54, 76, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:32 6 GLY HN 5.50 (# 32:10 Single Ambig)
&rst
ixpk= 32, nxpk= 10, iat= -1, 76, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 68, 69, 87, 88,
&end
#
# 5 ASP HB- 6 GLY HN 4.20 (# 33:10 Unique 3.34, 3.73 A)
&rst
ixpk= 33, nxpk= 10, iat= -1, 76, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 68, 69,
&end
#
# 2 ILE QG2 6 GLY HN 5.50 (# 34:10 Unique 2.37, 3.34 A)
&rst
ixpk= 34, nxpk= 10, iat= -1, 76, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 27, 28, 29,
&end
#
# 7 TYR HD 7 TYR HN 3.50 (# 35:10 Unique 2.67, 4.26 A)
&rst
ixpk= 35, nxpk= 10, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 91, 100,
&end
#
# 0 AMB 10-2:36 7 TYR HN 3.50 (# 36:10 Single Ambig)
&rst
ixpk= 36, nxpk= 10, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 85, 66,
&end
#
# 6 GLY HA- 7 TYR HN 5.50 (# 37:10 Unique 2.95, 3.25 A)
&rst
ixpk= 37, nxpk= 10, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 78, 79,
&end
#
# 0 AMB 10-2:38 7 TYR HN 4.20 (# 38:10 Single Ambig)
&rst
ixpk= 38, nxpk= 10, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1= 87, 88, 68, 69,
&end
#
# 7 TYR HE 7 TYR HN 5.50 (# 40:10 Unique 5.06, 6.32 A)
&rst
ixpk= 40, nxpk= 10, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 93, 98,
&end
#
# 7 TYR HB- 7 TYR HN 4.20 (# 41:10 Unique 2.12, 2.95 A)
&rst
ixpk= 41, nxpk= 10, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 87, 88,
&end
#
# 2 ILE QG2 7 TYR HN 4.20 (# 42:10 Unique 2.50, 3.93 A)
&rst
ixpk= 42, nxpk= 10, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 27, 28, 29,
&end
#
# 0 AMB 10-2:43 0 AMB 10-1:43 4.20 (# 43:10 Double Ambig)
&rst
ixpk= 43, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1=1530,1531,1532,1527,1528, 759, 760, 761,
igr2= 83, 748,
&end
#
# 50 MET HB- 50 MET HN 5.50 (# 44:10 Unique 2.28, 2.53 A)
&rst
ixpk= 44, nxpk= 10, iat= -1, 748, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 752, 753,
&end
#
# 0 AMB 10-2:45 8 ARG HN 2.80 (# 45:10 Single Ambig)
&rst
ixpk= 45, nxpk= 10, iat= -1, 104, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 108, 109, 108, 109,1547,1548,
&end
#
# 7 TYR HA 8 ARG HN 3.50 (# 46:10 Unique 2.14, 2.18 A)
&rst
ixpk= 46, nxpk= 10, iat= 85, 104, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 8 ARG HA 8 ARG HN 5.50 (# 47:10 Unique 2.93, 2.94 A)
&rst
ixpk= 47, nxpk= 10, iat= 106, 104, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 GLN HA 8 ARG HN 4.20 (# 48:10 Unique 2.41, 2.54 A)
&rst
ixpk= 48, nxpk= 10, iat=1545, 104, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:49 10 ASN HN 5.50 (# 49:10 Single Ambig)
&rst
ixpk= 49, nxpk= 10, iat= -1, 142, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1594,1595,1555,1556,
&end
#
# 10 ASN HA 10 ASN HN 4.20 (# 50:10 Unique 2.92, 2.94 A)
&rst
ixpk= 50, nxpk= 10, iat= 144, 142, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 97 GLN HA 10 ASN HN 5.50 (# 51:10 Unique 3.11, 3.44 A)
&rst
ixpk= 51, nxpk= 10, iat=1584, 142, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 9 PRO HA 10 ASN HN 3.50 (# 52:10 Unique 2.15, 2.19 A)
&rst
ixpk= 52, nxpk= 10, iat= 138, 142, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:53 10 ASN HN 5.50 (# 53:10 Single Ambig)
&rst
ixpk= 53, nxpk= 10, iat= -1, 142, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1550,1551, 132, 133,1586,1587,1209,1210,
&end
#
# 0 AMB 10-2:54 10 ASN HN 4.20 (# 54:10 Single Ambig)
&rst
ixpk= 54, nxpk= 10, iat= -1, 142, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
igr1=1589,1590,1573,1574, 15, 16, 17, 87, 88,
&end
#
# 9 PRO HB- 10 ASN HN 4.20 (# 55:10 Unique 3.05, 3.58 A)
&rst
ixpk= 55, nxpk= 10, iat= -1, 142, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 135, 136,
&end
#
# 40 ILE QD1 10 ASN HN 5.50 (# 56:10 Unique 2.98, 4.53 A)
&rst
ixpk= 56, nxpk= 10, iat= -1, 142, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 629, 630, 631,
&end
#
# 10 ASN HB+ 10 ASN HN 5.50 (# 57:10 Unique 2.43, 3.06 A)
&rst
ixpk= 57, nxpk= 10, iat= -1, 142, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 146, 147,
&end
#
# 11 VAL MGY 10 ASN HN 5.50 (# 58:10 Unique 4.19, 6.12 A)
&rst
ixpk= 58, nxpk= 10, iat= -1, 142, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 11 VAL MGX 11 VAL HN 3.50 (# 59:10 Unique 2.21, 3.81 A)
&rst
ixpk= 59, nxpk= 10, iat= -1, 156, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 11 VAL MGY 11 VAL HN 3.50 (# 60:10 Unique 2.21, 3.81 A)
&rst
ixpk= 60, nxpk= 10, iat= -1, 156, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 40 ILE HG1- 11 VAL HN 5.50 (# 61:10 Unique 2.64, 4.11 A)
&rst
ixpk= 61, nxpk= 10, iat= -1, 156, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 626, 627,
&end
#
# 11 VAL HB 11 VAL HN 5.50 (# 62:10 Unique 2.53, 3.36 A)
&rst
ixpk= 62, nxpk= 10, iat= 160, 156, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:63 11 VAL HN 5.50 (# 63:10 Single Ambig)
&rst
ixpk= 63, nxpk= 10, iat= -1, 156, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 817, 818, 111, 112,1547,1548,
&end
#
# 37 GLN HG+ 11 VAL HN 5.50 (# 64:10 Unique 3.20, 5.31 A)
&rst
ixpk= 64, nxpk= 10, iat= -1, 156, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 592, 593,
&end
#
# 10 ASN HB- 11 VAL HN 3.50 (# 65:10 Unique 2.67, 3.49 A)
&rst
ixpk= 65, nxpk= 10, iat= -1, 156, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 146, 147,
&end
#
# 39 GLY HA- 11 VAL HN 5.50 (# 66:10 Unique 2.16, 3.38 A)
&rst
ixpk= 66, nxpk= 10, iat= -1, 156, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 611, 612,
&end
#
# 39 GLY HA+ 11 VAL HN 5.50 (# 67:10 Unique 2.16, 3.38 A)
&rst
ixpk= 67, nxpk= 10, iat= -1, 156, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 611, 612,
&end
#
# 37 GLN HA 11 VAL HN 5.50 (# 68:10 Unique 4.19, 4.63 A)
&rst
ixpk= 68, nxpk= 10, iat= 587, 156, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 10 ASN HA 11 VAL HN 2.80 (# 69:10 Unique 2.20, 2.30 A)
&rst
ixpk= 69, nxpk= 10, iat= 144, 156, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 12 GLY HN 11 VAL HN 5.50 (# 70:10 Unique 4.34, 4.40 A)
&rst
ixpk= 70, nxpk= 10, iat= 172, 156, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 10 ASN HD2+ 11 VAL HN 5.50 (# 71:10 Unique 4.32, 4.96 A)
&rst
ixpk= 71, nxpk= 10, iat= -1, 156, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 151, 152,
&end
#
# 40 ILE HN 11 VAL HN 5.50 (# 72:10 Unique 3.42, 3.91 A)
&rst
ixpk= 72, nxpk= 10, iat= 616, 156, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 38 GLY HN 11 VAL HN 4.20 (# 73:10 Unique 3.22, 3.53 A)
&rst
ixpk= 73, nxpk= 10, iat= 602, 156, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 11 VAL MGX 12 GLY HN 3.50 (# 74:10 Unique 2.38, 4.33 A)
&rst
ixpk= 74, nxpk= 10, iat= -1, 172, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 11 VAL MGY 12 GLY HN 5.50 (# 75:10 Unique 2.38, 4.33 A)
&rst
ixpk= 75, nxpk= 10, iat= -1, 172, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 11 VAL HB 12 GLY HN 5.50 (# 76:10 Unique 2.63, 3.29 A)
&rst
ixpk= 76, nxpk= 10, iat= 160, 172, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 TRP HA 12 GLY HN 3.50 (# 77:10 Unique 2.73, 3.23 A)
&rst
ixpk= 77, nxpk= 10, iat=1623, 172, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 11 VAL HA 12 GLY HN 2.80 (# 78:10 Unique 2.19, 2.25 A)
&rst
ixpk= 78, nxpk= 10, iat= 158, 172, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:79 13 ILE HN 3.50 (# 79:10 Single Ambig)
&rst
ixpk= 79, nxpk= 10, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 174, 175, 174, 175,
&end
#
# 37 GLN HA 13 ILE HN 4.20 (# 81:10 Unique 3.28, 3.79 A)
&rst
ixpk= 81, nxpk= 10, iat= 587, 179, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 13 ILE HB 13 ILE HN 3.50 (# 82:10 Unique 2.50, 2.79 A)
&rst
ixpk= 82, nxpk= 10, iat= 183, 179, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 13 ILE HG1- 13 ILE HN 5.50 (# 83:10 Unique 1.85, 3.22 A)
&rst
ixpk= 83, nxpk= 10, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 189, 190,
&end
#
# 0 AMB 10-2:84 13 ILE HN 3.50 (# 84:10 Single Ambig)
&rst
ixpk= 84, nxpk= 10, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
igr1= 185, 186, 187, 162, 163, 164, 166, 167, 168, 227,
228, 229, 224, 225, 834, 835, 836, 838, 839, 840,
&end
#
# 0 AMB 10-2:85 13 ILE HN 2.80 (# 85:10 Single Ambig)
&rst
ixpk= 85, nxpk= 10, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 189, 190, 192, 193, 194,
&end
#
# 36 PRO HG+ 13 ILE HN 5.50 (# 87:10 Unique 2.18, 3.64 A)
&rst
ixpk= 87, nxpk= 10, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 575, 576,
&end
#
# 14 VAL MGX 14 VAL HN 3.50 (# 88:10 Unique 2.39, 4.03 A)
&rst
ixpk= 88, nxpk= 10, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 14 VAL MGY 14 VAL HN 2.80 (# 89:10 Unique 2.39, 4.03 A)
&rst
ixpk= 89, nxpk= 10, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 0 AMB 10-2:90 14 VAL HN 2.80 (# 90:10 Single Ambig)
&rst
ixpk= 90, nxpk= 10, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1= 185, 186, 187, 227, 228, 229, 224, 225,
&end
#
# 0 AMB 10-2:91 14 VAL HN 5.50 (# 91:10 Single Ambig)
&rst
ixpk= 91, nxpk= 10, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 189, 190, 350, 351, 352,
&end
#
# 0 AMB 10-2:92 14 VAL HN 5.50 (# 92:10 Single Ambig)
&rst
ixpk= 92, nxpk= 10, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1691, 183, 755, 756,
&end
#
# 14 VAL HB 14 VAL HN 4.20 (# 93:10 Unique 2.69, 2.80 A)
&rst
ixpk= 93, nxpk= 10, iat= 202, 198, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 14 VAL HA 14 VAL HN 5.50 (# 94:10 Unique 2.95, 2.95 A)
&rst
ixpk= 94, nxpk= 10, iat= 200, 198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 101 LEU HA 14 VAL HN 5.50 (# 96:10 Unique 3.45, 3.80 A)
&rst
ixpk= 96, nxpk= 10, iat=1667, 198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 151 PHE HD 14 VAL HN 5.50 (# 97:10 Unique 6.49, 7.47 A)
&rst
ixpk= 97, nxpk= 10, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2515,2523,
&end
#
# 102 LEU HN 14 VAL HN 5.50 (# 98:10 Unique 3.58, 4.07 A)
&rst
ixpk= 98, nxpk= 10, iat=1684, 198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 ILE HN 14 VAL HN 5.50 (# 99:10 Unique 3.94, 4.00 A)
&rst
ixpk= 99, nxpk= 10, iat= 214, 198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:100 14 VAL HN 5.50 (# 100:10 Single Ambig)
&rst
ixpk= 100, nxpk= 10, iat= -1, 198, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 559, 567,1653,1661,
&end
#
# 99 TRP HE3 14 VAL HN 5.50 (# 101:10 Unique 5.00, 5.46 A)
&rst
ixpk= 101, nxpk= 10, iat=1640, 198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 VAL HA 15 ILE HN 3.50 (# 103:10 Unique 2.16, 2.20 A)
&rst
ixpk= 103, nxpk= 10, iat= 200, 214, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 15 ILE HB 15 ILE HN 4.20 (# 104:10 Unique 2.56, 2.66 A)
&rst
ixpk= 104, nxpk= 10, iat= 218, 214, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 15 ILE HG1+ 15 ILE HN 4.20 (# 105:10 Unique 2.01, 3.06 A)
&rst
ixpk= 105, nxpk= 10, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 224, 225,
&end
#
# 0 AMB 10-2:106 15 ILE HN 4.20 (# 106:10 Single Ambig)
&rst
ixpk= 106, nxpk= 10, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
igr1= 329, 330, 331, 333, 334, 335, 220, 221, 222,
&end
#
# 0 AMB 10-2:107 15 ILE HN 2.80 (# 107:10 Single Ambig)
&rst
ixpk= 107, nxpk= 10, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 224, 225, 227, 228, 229,
&end
#
# 0 AMB 10-2:108 15 ILE HN 3.50 (# 108:10 Single Ambig)
&rst
ixpk= 108, nxpk= 10, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 204, 205, 206, 208, 209, 210,1674,1675,1676,1678,
1679,1680,
&end
#
# 104 LEU HN 16 CYS HN 5.50 (# 109:10 Unique 3.19, 3.53 A)
&rst
ixpk= 109, nxpk= 10, iat=1720, 233, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 16 CYS HA 16 CYS HN 5.50 (# 110:10 Unique 2.92, 2.94 A)
&rst
ixpk= 110, nxpk= 10, iat= 235, 233, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 ILE HA 16 CYS HN 3.50 (# 111:10 Unique 2.14, 2.19 A)
&rst
ixpk= 111, nxpk= 10, iat= 216, 233, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 103 GLN HA 16 CYS HN 4.20 (# 112:10 Unique 2.14, 2.31 A)
&rst
ixpk= 112, nxpk= 10, iat=1705, 233, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 16 CYS HB+ 16 CYS HN 5.50 (# 113:10 Unique 2.21, 3.18 A)
&rst
ixpk= 113, nxpk= 10, iat= -1, 233, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 237, 238,
&end
#
# 16 CYS HB- 16 CYS HN 5.50 (# 114:10 Unique 2.21, 3.18 A)
&rst
ixpk= 114, nxpk= 10, iat= -1, 233, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 237, 238,
&end
#
# 103 GLN HB- 16 CYS HN 4.20 (# 115:10 Unique 3.74, 4.54 A)
&rst
ixpk= 115, nxpk= 10, iat= -1, 233, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1707,1708,
&end
#
# 15 ILE QG2 16 CYS HN 3.50 (# 116:10 Unique 2.01, 3.22 A)
&rst
ixpk= 116, nxpk= 10, iat= -1, 233, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 220, 221, 222,
&end
#
# 0 AMB 10-2:117 16 CYS HN 3.50 (# 117:10 Single Ambig)
&rst
ixpk= 117, nxpk= 10, iat= -1, 233, r1= 0.00, r2= 1.80, r3= 5.61, r4= 6.36,
igr1= 227, 228, 229,1073,1074,1075,1077,1078,1079,2617,
2618,2619,2621,2622,2623, 224, 225,
&end
#
# 0 AMB 10-2:118 48 GLN HN 3.50 (# 118:10 Single Ambig)
&rst
ixpk= 118, nxpk= 10, iat= -1, 721, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 706, 685,
&end
#
# 49 ALA HN 48 GLN HN 3.50 (# 119:10 Unique 2.71, 2.76 A)
&rst
ixpk= 119, nxpk= 10, iat= 738, 721, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:120 0 AMB 10-1:120 5.50 (# 120:10 Double Ambig)
&rst
ixpk= 120, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 299, 748,
igr2= 244, 721,
&end
#
# 21 GLN HN 17 ASN HN 5.50 (# 121:10 Unique 2.37, 2.74 A)
&rst
ixpk= 121, nxpk= 10, iat= 306, 244, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:122 48 GLN HN 5.50 (# 122:10 Single Ambig)
&rst
ixpk= 122, nxpk= 10, iat= -1, 721, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 773, 782,1653,1661,
&end
#
# 16 CYS HA 17 ASN HN 3.50 (# 123:10 Unique 2.21, 2.34 A)
&rst
ixpk= 123, nxpk= 10, iat= 235, 244, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:125 48 GLN HN 3.50 (# 125:10 Single Ambig)
&rst
ixpk= 125, nxpk= 10, iat= -1, 721, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 689, 690, 723,
&end
#
# 47 GLU HA 48 GLN HN 5.50 (# 126:10 Unique 3.53, 3.55 A)
&rst
ixpk= 126, nxpk= 10, iat= 708, 721, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 48 GLN HG+ 48 GLN HN 2.80 (# 127:10 Unique 1.98, 2.93 A)
&rst
ixpk= 127, nxpk= 10, iat= -1, 721, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 728, 729,
&end
#
# 48 GLN HB+ 48 GLN HN 2.80 (# 128:10 Unique 2.40, 3.05 A)
&rst
ixpk= 128, nxpk= 10, iat= -1, 721, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 725, 726,
&end
#
# 48 GLN HB- 48 GLN HN 2.80 (# 129:10 Unique 2.40, 3.05 A)
&rst
ixpk= 129, nxpk= 10, iat= -1, 721, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 725, 726,
&end
#
# 47 GLU HB- 48 GLN HN 3.50 (# 130:10 Unique 2.45, 3.12 A)
&rst
ixpk= 130, nxpk= 10, iat= -1, 721, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 710, 711,
&end
#
# 0 AMB 10-2:131 0 AMB 10-1:131 4.20 (# 131:10 Double Ambig)
&rst
ixpk= 131, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.13, r4= 7.88,
igr1= 742, 743, 744, 700, 701, 702, 265, 266, 626, 627,
755, 756,
igr2= 721, 244,
&end
#
# 0 AMB 10-2:132 0 AMB 10-1:132 5.50 (# 132:10 Double Ambig)
&rst
ixpk= 132, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
igr1=2570,2571,2572,2574,2575,2576, 162, 163, 164, 166,
167, 168,1073,1074,1075,1077,1078,1079,1729,1730,
1731,1733,1734,1735,
igr2= 244, 721,
&end
#
# 0 AMB 10-2:133 17 ASN HN 5.50 (# 133:10 Single Ambig)
&rst
ixpk= 133, nxpk= 10, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2617,2618,2619,2621,2622,2623,2570,2571,2572,2574,
2575,2576,
&end
#
# 17 ASN HA 17 ASN HN 5.50 (# 134:10 Unique 2.90, 2.94 A)
&rst
ixpk= 134, nxpk= 10, iat= 246, 244, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 117 SER HN 116 SER HN 5.50 (# 135:10 Unique 4.48, 4.59 A)
&rst
ixpk= 135, nxpk= 10, iat=1902,1891, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:136 116 SER HN 5.50 (# 136:10 Single Ambig)
&rst
ixpk= 136, nxpk= 10, iat= -1,1891, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1941, 438,
&end
#
# 115 THR HN 116 SER HN 2.80 (# 137:10 Unique 2.77, 3.03 A)
&rst
ixpk= 137, nxpk= 10, iat=1877,1891, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 19 GLN HN 18 ARG HN 4.20 (# 138:10 Unique 2.62, 2.70 A)
&rst
ixpk= 138, nxpk= 10, iat= 282, 258, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 112 ASN HD2- 116 SER HN 5.50 (# 140:10 Unique 5.02, 5.99 A)
&rst
ixpk= 140, nxpk= 10, iat= -1,1891, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1838,1839,
&end
#
# 17 ASN HA 18 ARG HN 3.50 (# 141:10 Unique 2.46, 2.56 A)
&rst
ixpk= 141, nxpk= 10, iat= 246, 258, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:142 116 SER HN 2.80 (# 142:10 Single Ambig)
&rst
ixpk= 142, nxpk= 10, iat= -1,1891, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1893,1862,
&end
#
# 115 THR HB 116 SER HN 4.20 (# 145:10 Unique 2.10, 2.49 A)
&rst
ixpk= 145, nxpk= 10, iat=1881,1891, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 116 SER HB- 116 SER HN 2.80 (# 146:10 Unique 2.11, 2.79 A)
&rst
ixpk= 146, nxpk= 10, iat= -1,1891, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1895,1896,
&end
#
# 18 ARG HD+ 18 ARG HN 5.50 (# 147:10 Unique 1.95, 3.20 A)
&rst
ixpk= 147, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 268, 269,
&end
#
# 17 ASN HB+ 18 ARG HN 3.50 (# 148:10 Unique 2.10, 2.97 A)
&rst
ixpk= 148, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 248, 249,
&end
#
# 0 AMB 10-2:149 0 AMB 10-1:149 4.20 (# 149:10 Double Ambig)
&rst
ixpk= 149, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=1864,1865,1867,1868,2634,2635,
igr2=1891, 258,
&end
#
# 18 ARG HB+ 18 ARG HN 3.50 (# 150:10 Unique 2.13, 2.95 A)
&rst
ixpk= 150, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 262, 263,
&end
#
# 18 ARG HB- 18 ARG HN 2.80 (# 151:10 Unique 2.13, 2.95 A)
&rst
ixpk= 151, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 262, 263,
&end
#
# 18 ARG HG- 18 ARG HN 3.50 (# 152:10 Unique 2.04, 3.64 A)
&rst
ixpk= 152, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 265, 266,
&end
#
# 115 THR MG2 116 SER HN 4.20 (# 153:10 Unique 4.16, 4.70 A)
&rst
ixpk= 153, nxpk= 10, iat= -1,1891, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1883,1884,1885,
&end
#
# 0 AMB 10-2:154 19 GLN HN 5.50 (# 154:10 Single Ambig)
&rst
ixpk= 154, nxpk= 10, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=2617,2618,2619,2621,2622,2623,2617,2618,2619,2621,
2622,2623,2570,2571,2572,2574,2575,2576,
&end
#
# 18 ARG HG- 19 GLN HN 5.50 (# 155:10 Unique 4.45, 5.37 A)
&rst
ixpk= 155, nxpk= 10, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 265, 266,
&end
#
# 0 AMB 10-2:156 19 GLN HN 2.80 (# 156:10 Single Ambig)
&rst
ixpk= 156, nxpk= 10, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 286, 287, 262, 263,
&end
#
# 18 ARG HB+ 19 GLN HN 4.20 (# 157:10 Unique 3.45, 3.99 A)
&rst
ixpk= 157, nxpk= 10, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 262, 263,
&end
#
# 0 AMB 10-2:158 19 GLN HN 2.80 (# 158:10 Single Ambig)
&rst
ixpk= 158, nxpk= 10, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 289, 290, 286, 287,
&end
#
# 17 ASN HB+ 19 GLN HN 5.50 (# 159:10 Unique 2.23, 3.34 A)
&rst
ixpk= 159, nxpk= 10, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 248, 249,
&end
#
# 20 GLY HA- 19 GLN HN 5.50 (# 160:10 Unique 4.28, 4.60 A)
&rst
ixpk= 160, nxpk= 10, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 301, 302,
&end
#
# 18 ARG HA 19 GLN HN 3.50 (# 161:10 Unique 2.99, 3.17 A)
&rst
ixpk= 161, nxpk= 10, iat= 260, 282, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 19 GLN HA 19 GLN HN 2.80 (# 162:10 Unique 2.92, 2.94 A)
&rst
ixpk= 162, nxpk= 10, iat= 284, 282, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 17 ASN HA 19 GLN HN 5.50 (# 163:10 Unique 3.90, 3.99 A)
&rst
ixpk= 163, nxpk= 10, iat= 246, 282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 19 GLN HE2- 19 GLN HN 5.50 (# 164:10 Unique 2.93, 4.10 A)
&rst
ixpk= 164, nxpk= 10, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 294, 295,
&end
#
# 17 ASN HN 19 GLN HN 5.50 (# 165:10 Unique 3.79, 3.93 A)
&rst
ixpk= 165, nxpk= 10, iat= 244, 282, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 18 ARG HN 19 GLN HN 2.80 (# 166:10 Unique 2.62, 2.70 A)
&rst
ixpk= 166, nxpk= 10, iat= 258, 282, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 20 GLY HN 19 GLN HN 2.80 (# 167:10 Unique 1.94, 2.08 A)
&rst
ixpk= 167, nxpk= 10, iat= 299, 282, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:168 20 GLY HN 3.50 (# 168:10 Single Ambig)
&rst
ixpk= 168, nxpk= 10, iat= -1, 299, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2617,2618,2619,2621,2622,2623,2570,2571,2572,2574,
2575,2576,
&end
#
# 0 AMB 10-2:170 20 GLY HN 3.50 (# 170:10 Single Ambig)
&rst
ixpk= 170, nxpk= 10, iat= -1, 299, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 286, 287,2615,2612,2613,
&end
#
# 0 AMB 10-2:171 20 GLY HN 3.50 (# 171:10 Single Ambig)
&rst
ixpk= 171, nxpk= 10, iat= -1, 299, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2631,2632, 286, 287, 313, 314, 289, 290,
&end
#
# 20 GLY HA- 20 GLY HN 2.80 (# 172:10 Unique 2.30, 2.62 A)
&rst
ixpk= 172, nxpk= 10, iat= -1, 299, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 301, 302,
&end
#
# 20 GLY HA+ 20 GLY HN 2.80 (# 173:10 Unique 2.30, 2.62 A)
&rst
ixpk= 173, nxpk= 10, iat= -1, 299, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 301, 302,
&end
#
# 19 GLN HA 20 GLY HN 4.20 (# 174:10 Unique 3.19, 3.33 A)
&rst
ixpk= 174, nxpk= 10, iat= 284, 299, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 19 GLN HN 20 GLY HN 2.80 (# 175:10 Unique 1.94, 2.08 A)
&rst
ixpk= 175, nxpk= 10, iat= 282, 299, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:176 21 GLN HN 4.20 (# 176:10 Single Ambig)
&rst
ixpk= 176, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=2617,2618,2619,2621,2622,2623, 329, 330, 331, 333,
334, 335,
&end
#
# 17 ASN HB- 21 GLN HN 5.50 (# 177:10 Unique 2.14, 4.26 A)
&rst
ixpk= 177, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 248, 249,
&end
#
# 21 GLN HB+ 21 GLN HN 2.80 (# 178:10 Unique 2.44, 3.25 A)
&rst
ixpk= 178, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 310, 311,
&end
#
# 21 GLN HG+ 21 GLN HN 2.80 (# 179:10 Unique 1.94, 3.20 A)
&rst
ixpk= 179, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 313, 314,
&end
#
# 17 ASN HB+ 21 GLN HN 5.50 (# 180:10 Unique 2.14, 4.26 A)
&rst
ixpk= 180, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 248, 249,
&end
#
# 20 GLY HA- 21 GLN HN 4.20 (# 181:10 Unique 2.84, 3.20 A)
&rst
ixpk= 181, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 301, 302,
&end
#
# 20 GLY HA+ 21 GLN HN 5.50 (# 182:10 Unique 2.84, 3.20 A)
&rst
ixpk= 182, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 301, 302,
&end
#
# 128 SER HA 21 GLN HN 5.50 (# 183:10 Unique 4.79, 5.50 A)
&rst
ixpk= 183, nxpk= 10, iat=2085, 306, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 GLN HA 21 GLN HN 3.50 (# 184:10 Unique 2.92, 2.94 A)
&rst
ixpk= 184, nxpk= 10, iat= 308, 306, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 16 CYS HA 21 GLN HN 5.50 (# 185:10 Unique 3.93, 4.35 A)
&rst
ixpk= 185, nxpk= 10, iat= 235, 306, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 159 GLN HE2- 21 GLN HN 5.50 (# 186:10 Unique 5.37, 6.03 A)
&rst
ixpk= 186, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2639,2640,
&end
#
# 17 ASN HN 21 GLN HN 4.20 (# 188:10 Unique 2.37, 2.74 A)
&rst
ixpk= 188, nxpk= 10, iat= 244, 306, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 20 GLY HN 21 GLN HN 2.80 (# 189:10 Unique 2.18, 2.38 A)
&rst
ixpk= 189, nxpk= 10, iat= 299, 306, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 22 VAL HN 21 GLN HN 5.50 (# 190:10 Unique 4.40, 4.47 A)
&rst
ixpk= 190, nxpk= 10, iat= 323, 306, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 127 VAL MGX 22 VAL HN 5.50 (# 191:10 Unique 3.17, 5.73 A)
&rst
ixpk= 191, nxpk= 10, iat= -1, 323, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2073,2074,2075,2077,2078,2079,
&end
#
# 22 VAL MGX 22 VAL HN 3.50 (# 192:10 Unique 1.95, 3.73 A)
&rst
ixpk= 192, nxpk= 10, iat= -1, 323, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 21 GLN HB+ 22 VAL HN 5.50 (# 193:10 Unique 1.93, 3.05 A)
&rst
ixpk= 193, nxpk= 10, iat= -1, 323, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 310, 311,
&end
#
# 21 GLN HG- 22 VAL HN 5.50 (# 194:10 Unique 3.90, 4.76 A)
&rst
ixpk= 194, nxpk= 10, iat= -1, 323, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 313, 314,
&end
#
# 22 VAL HB 22 VAL HN 5.50 (# 195:10 Unique 2.36, 3.05 A)
&rst
ixpk= 195, nxpk= 10, iat= 327, 323, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 GLN HA 22 VAL HN 3.50 (# 196:10 Unique 2.19, 2.38 A)
&rst
ixpk= 196, nxpk= 10, iat= 308, 323, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 21 GLN HN 22 VAL HN 5.50 (# 197:10 Unique 4.40, 4.47 A)
&rst
ixpk= 197, nxpk= 10, iat= 306, 323, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 127 VAL HN 22 VAL HN 5.50 (# 198:10 Unique 2.37, 3.18 A)
&rst
ixpk= 198, nxpk= 10, iat=2067, 323, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 VAL MGX 23 MET HN 3.50 (# 199:10 Unique 1.97, 3.92 A)
&rst
ixpk= 199, nxpk= 10, iat= -1, 339, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 15 ILE HG1+ 23 MET HN 5.50 (# 200:10 Unique 4.67, 5.66 A)
&rst
ixpk= 200, nxpk= 10, iat= -1, 339, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 224, 225,
&end
#
# 0 AMB 10-2:201 23 MET HN 5.50 (# 201:10 Single Ambig)
&rst
ixpk= 201, nxpk= 10, iat= -1, 339, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 218, 310, 311,
&end
#
# 22 VAL HB 23 MET HN 5.50 (# 202:10 Unique 2.37, 3.45 A)
&rst
ixpk= 202, nxpk= 10, iat= 327, 339, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:203 23 MET HN 5.50 (# 203:10 Single Ambig)
&rst
ixpk= 203, nxpk= 10, iat= -1, 339, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2047,2048, 248, 249,1999,2000,
&end
#
# 22 VAL HA 23 MET HN 5.50 (# 205:10 Unique 2.22, 2.32 A)
&rst
ixpk= 205, nxpk= 10, iat= 325, 339, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:206 23 MET HN 5.50 (# 206:10 Single Ambig)
&rst
ixpk= 206, nxpk= 10, iat= -1, 339, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 561, 565, 559, 567,
&end
#
# 0 AMB 10-2:207 24 TRP HN 5.50 (# 207:10 Single Ambig)
&rst
ixpk= 207, nxpk= 10, iat= -1, 356, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2023,2024, 218,1854,1855,1856, 310, 311,
&end
#
# 23 MET HA 24 TRP HN 5.50 (# 209:10 Unique 2.14, 2.22 A)
&rst
ixpk= 209, nxpk= 10, iat= 341, 356, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:210 24 TRP HN 5.50 (# 210:10 Single Ambig)
&rst
ixpk= 210, nxpk= 10, iat= -1, 356, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 341, 358,
&end
#
# 25 ALA MB 25 ALA HN 4.20 (# 212:10 Unique 2.22, 3.22 A)
&rst
ixpk= 212, nxpk= 10, iat= -1, 380, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 384, 385, 386,
&end
#
# 125 ARG HG- 25 ALA HN 5.50 (# 213:10 Unique 5.30, 9.11 A)
&rst
ixpk= 213, nxpk= 10, iat= -1, 380, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2026,2027,
&end
#
# 25 ALA MB 26 ARG HN 4.20 (# 218:10 Unique 2.91, 3.72 A)
&rst
ixpk= 218, nxpk= 10, iat= -1, 390, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 384, 385, 386,
&end
#
# 0 AMB 10-2:219 26 ARG HN 5.50 (# 219:10 Single Ambig)
&rst
ixpk= 219, nxpk= 10, iat= -1, 390, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=2023,2024,1854,1855,1856,
&end
#
# 0 AMB 10-2:220 26 ARG HN 5.50 (# 220:10 Single Ambig)
&rst
ixpk= 220, nxpk= 10, iat= -1, 390, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=2023,2024,1854,1855,1856,
&end
#
# 0 AMB 10-2:221 26 ARG HN 5.50 (# 221:10 Single Ambig)
&rst
ixpk= 221, nxpk= 10, iat= -1, 390, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 392, 514, 515,1960,1961,
&end
#
# 25 ALA HA 26 ARG HN 4.20 (# 222:10 Unique 2.14, 2.21 A)
&rst
ixpk= 222, nxpk= 10, iat= 382, 390, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 124 TRP HA 26 ARG HN 5.50 (# 223:10 Unique 3.95, 4.98 A)
&rst
ixpk= 223, nxpk= 10, iat=1997, 390, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:224 26 ARG HN 5.50 (# 224:10 Single Ambig)
&rst
ixpk= 224, nxpk= 10, iat= -1, 390, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1966,1970, 525,
&end
#
# 27 ARG HN 26 ARG HN 5.50 (# 225:10 Unique 3.99, 4.37 A)
&rst
ixpk= 225, nxpk= 10, iat= 414, 390, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:227 27 ARG HN 4.20 (# 227:10 Single Ambig)
&rst
ixpk= 227, nxpk= 10, iat= -1, 414, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 392, 514, 515,
&end
#
# 27 ARG HB+ 27 ARG HN 4.20 (# 228:10 Unique 2.13, 3.03 A)
&rst
ixpk= 228, nxpk= 10, iat= -1, 414, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 418, 419,
&end
#
# 27 ARG HG- 27 ARG HN 4.20 (# 229:10 Unique 2.20, 3.01 A)
&rst
ixpk= 229, nxpk= 10, iat= -1, 414, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 421, 422,
&end
#
# 27 ARG HG+ 27 ARG HN 5.50 (# 230:10 Unique 2.20, 3.01 A)
&rst
ixpk= 230, nxpk= 10, iat= -1, 414, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 421, 422,
&end
#
# 28 PHE HD 28 PHE HN 4.20 (# 232:10 Unique 2.57, 3.82 A)
&rst
ixpk= 232, nxpk= 10, iat= -1, 438, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 446, 454,
&end
#
# 121 PHE HA 28 PHE HN 4.20 (# 233:10 Unique 4.66, 6.20 A)
&rst
ixpk= 233, nxpk= 10, iat=1958, 438, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 27 ARG HA 28 PHE HN 4.20 (# 234:10 Unique 2.20, 2.62 A)
&rst
ixpk= 234, nxpk= 10, iat= 416, 438, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 28 PHE HA 28 PHE HN 5.50 (# 235:10 Unique 2.72, 2.78 A)
&rst
ixpk= 235, nxpk= 10, iat= 440, 438, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 28 PHE HB+ 28 PHE HN 4.20 (# 236:10 Unique 2.09, 2.88 A)
&rst
ixpk= 236, nxpk= 10, iat= -1, 438, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 442, 443,
&end
#
# 28 PHE HB- 28 PHE HN 3.50 (# 237:10 Unique 2.09, 2.88 A)
&rst
ixpk= 237, nxpk= 10, iat= -1, 438, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 442, 443,
&end
#
# 30 GLN HB- 28 PHE HN 5.50 (# 238:10 Unique 5.14, 9.23 A)
&rst
ixpk= 238, nxpk= 10, iat= -1, 438, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 469, 470,
&end
#
# 30 GLN HN 29 GLY HN 4.20 (# 240:10 Unique 2.80, 3.91 A)
&rst
ixpk= 240, nxpk= 10, iat= 465, 458, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:241 29 GLY HN 5.50 (# 241:10 Single Ambig)
&rst
ixpk= 241, nxpk= 10, iat= -1, 458, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 448, 452, 495,
&end
#
# 28 PHE HD 29 GLY HN 5.50 (# 242:10 Unique 2.75, 4.67 A)
&rst
ixpk= 242, nxpk= 10, iat= -1, 458, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 446, 454,
&end
#
# 29 GLY HA+ 29 GLY HN 2.80 (# 244:10 Unique 2.30, 2.74 A)
&rst
ixpk= 244, nxpk= 10, iat= -1, 458, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 460, 461,
&end
#
# 28 PHE HA 29 GLY HN 2.80 (# 245:10 Unique 2.14, 2.19 A)
&rst
ixpk= 245, nxpk= 10, iat= 440, 458, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 29 GLY HA- 29 GLY HN 2.80 (# 247:10 Unique 2.30, 2.74 A)
&rst
ixpk= 247, nxpk= 10, iat= -1, 458, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 460, 461,
&end
#
# 122 ASP HB+ 29 GLY HN 5.50 (# 248:10 Unique 6.74, 9.72 A)
&rst
ixpk= 248, nxpk= 10, iat= -1, 458, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1980,1981,
&end
#
# 28 PHE HB+ 29 GLY HN 5.50 (# 249:10 Unique 2.71, 3.84 A)
&rst
ixpk= 249, nxpk= 10, iat= -1, 458, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 442, 443,
&end
#
# 28 PHE HB- 29 GLY HN 4.20 (# 250:10 Unique 2.71, 3.84 A)
&rst
ixpk= 250, nxpk= 10, iat= -1, 458, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 442, 443,
&end
#
# 32 SER HN 31 HIS HN 5.50 (# 251:10 Unique 1.90, 2.85 A)
&rst
ixpk= 251, nxpk= 10, iat= 499, 482, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 HIS HA 31 HIS HN 5.50 (# 253:10 Unique 2.78, 2.90 A)
&rst
ixpk= 253, nxpk= 10, iat= 484, 482, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 30 GLN HA 31 HIS HN 4.20 (# 254:10 Unique 2.15, 2.59 A)
&rst
ixpk= 254, nxpk= 10, iat= 467, 482, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 31 HIS HB- 31 HIS HN 5.50 (# 255:10 Unique 2.18, 3.10 A)
&rst
ixpk= 255, nxpk= 10, iat= -1, 482, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 486, 487,
&end
#
# 31 HIS HB+ 31 HIS HN 5.50 (# 256:10 Unique 2.18, 3.10 A)
&rst
ixpk= 256, nxpk= 10, iat= -1, 482, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 486, 487,
&end
#
# 30 GLN HB+ 31 HIS HN 4.20 (# 257:10 Unique 1.92, 2.73 A)
&rst
ixpk= 257, nxpk= 10, iat= -1, 482, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 469, 470,
&end
#
# 31 HIS HN 32 SER HN 4.20 (# 259:10 Unique 1.90, 2.85 A)
&rst
ixpk= 259, nxpk= 10, iat= 482, 499, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 33 TRP HD1 32 SER HN 5.50 (# 261:10 Unique 4.49, 5.23 A)
&rst
ixpk= 261, nxpk= 10, iat= 518, 499, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 31 HIS HA 32 SER HN 4.20 (# 263:10 Unique 2.59, 2.96 A)
&rst
ixpk= 263, nxpk= 10, iat= 484, 499, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:264 32 SER HN 3.50 (# 264:10 Single Ambig)
&rst
ixpk= 264, nxpk= 10, iat= -1, 499, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 503, 504, 503, 504,
&end
#
# 30 GLN HB+ 32 SER HN 3.50 (# 265:10 Unique 2.34, 3.31 A)
&rst
ixpk= 265, nxpk= 10, iat= -1, 499, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 469, 470,
&end
#
# 30 GLN HB- 32 SER HN 3.50 (# 266:10 Unique 2.34, 3.31 A)
&rst
ixpk= 266, nxpk= 10, iat= -1, 499, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 469, 470,
&end
#
# 0 AMB 10-2:267 32 SER HN 5.50 (# 267:10 Single Ambig)
&rst
ixpk= 267, nxpk= 10, iat= -1, 499, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 418, 419,1948,1949,
&end
#
# 48 GLN HN 49 ALA HN 3.50 (# 268:10 Unique 2.71, 2.76 A)
&rst
ixpk= 268, nxpk= 10, iat= 721, 738, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 33 TRP HD1 33 TRP HN 3.50 (# 269:10 Unique 1.91, 2.54 A)
&rst
ixpk= 269, nxpk= 10, iat= 518, 510, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 32 SER HN 33 TRP HN 5.50 (# 270:10 Unique 4.26, 4.48 A)
&rst
ixpk= 270, nxpk= 10, iat= 499, 510, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 SER HA 33 TRP HN 2.80 (# 271:10 Unique 2.14, 2.27 A)
&rst
ixpk= 271, nxpk= 10, iat= 501, 510, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:272 33 TRP HN 2.80 (# 272:10 Single Ambig)
&rst
ixpk= 272, nxpk= 10, iat= -1, 510, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 503, 504, 503, 504,
&end
#
# 0 AMB 10-2:274 33 TRP HN 4.20 (# 274:10 Single Ambig)
&rst
ixpk= 274, nxpk= 10, iat= -1, 510, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1= 469, 470,2218,2219,
&end
#
# 135 GLN HB- 33 TRP HN 4.20 (# 275:10 Unique 6.64, 9.23 A)
&rst
ixpk= 275, nxpk= 10, iat= -1, 510, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2218,2219,
&end
#
# 34 GLN HA 34 GLN HN 5.50 (# 276:10 Unique 2.79, 2.88 A)
&rst
ixpk= 276, nxpk= 10, iat= 536, 534, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 33 TRP HA 34 GLN HN 4.20 (# 277:10 Unique 2.14, 2.18 A)
&rst
ixpk= 277, nxpk= 10, iat= 512, 534, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 34 GLN HB+ 34 GLN HN 5.50 (# 279:10 Unique 2.59, 3.30 A)
&rst
ixpk= 279, nxpk= 10, iat= -1, 534, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 538, 539,
&end
#
# 34 GLN HG+ 34 GLN HN 5.50 (# 280:10 Unique 2.72, 4.23 A)
&rst
ixpk= 280, nxpk= 10, iat= -1, 534, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 541, 542,
&end
#
# 34 GLN HA 35 PHE HN 4.20 (# 282:10 Unique 2.59, 2.98 A)
&rst
ixpk= 282, nxpk= 10, iat= 536, 551, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 35 PHE HB+ 35 PHE HN 5.50 (# 283:10 Unique 2.16, 3.07 A)
&rst
ixpk= 283, nxpk= 10, iat= -1, 551, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 555, 556,
&end
#
# 34 GLN HG+ 35 PHE HN 5.50 (# 284:10 Unique 1.96, 3.89 A)
&rst
ixpk= 284, nxpk= 10, iat= -1, 551, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 541, 542,
&end
#
# 0 AMB 10-2:286 37 GLN HN 5.50 (# 286:10 Single Ambig)
&rst
ixpk= 286, nxpk= 10, iat= -1, 585, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1= 900, 901, 902, 904, 905, 906, 185, 186, 187, 227,
228, 229, 834, 835, 836, 838, 839, 840,
&end
#
# 30 GLN HB- 30 GLN HN 2.80 (# 287:10 Unique 2.46, 3.23 A)
&rst
ixpk= 287, nxpk= 10, iat= -1, 465, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 469, 470,
&end
#
# 37 GLN HA 37 GLN HN 5.50 (# 289:10 Unique 2.92, 2.94 A)
&rst
ixpk= 289, nxpk= 10, iat= 587, 585, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 30 GLN HA 30 GLN HN 5.50 (# 291:10 Unique 2.28, 2.88 A)
&rst
ixpk= 291, nxpk= 10, iat= 467, 465, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 29 GLY HA+ 30 GLN HN 3.50 (# 292:10 Unique 2.14, 2.76 A)
&rst
ixpk= 292, nxpk= 10, iat= -1, 465, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 460, 461,
&end
#
# 29 GLY HA- 30 GLN HN 3.50 (# 293:10 Unique 2.14, 2.76 A)
&rst
ixpk= 293, nxpk= 10, iat= -1, 465, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 460, 461,
&end
#
# 37 GLN HB- 37 GLN HN 3.50 (# 294:10 Unique 2.30, 3.19 A)
&rst
ixpk= 294, nxpk= 10, iat= -1, 585, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 589, 590,
&end
#
# 36 PRO HB- 37 GLN HN 4.20 (# 295:10 Unique 3.24, 4.06 A)
&rst
ixpk= 295, nxpk= 10, iat= -1, 585, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 578, 579,
&end
#
# 36 PRO HB+ 37 GLN HN 5.50 (# 296:10 Unique 3.24, 4.06 A)
&rst
ixpk= 296, nxpk= 10, iat= -1, 585, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 578, 579,
&end
#
# 0 AMB 10-2:298 30 GLN HN 3.50 (# 298:10 Single Ambig)
&rst
ixpk= 298, nxpk= 10, iat= -1, 465, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 458, 482,
&end
#
# 30 GLN HG+ 30 GLN HN 2.80 (# 299:10 Unique 2.02, 3.35 A)
&rst
ixpk= 299, nxpk= 10, iat= -1, 465, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 472, 473,
&end
#
# 30 GLN HA 30 GLN HN 3.50 (# 300:10 Unique 2.28, 2.88 A)
&rst
ixpk= 300, nxpk= 10, iat= 467, 465, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:301 0 AMB 10-1:301 5.50 (# 301:10 Double Ambig)
&rst
ixpk= 301, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 421, 422, 421, 422,
igr2= 585, 465,
&end
#
# 0 AMB 10-2:302 0 AMB 10-1:302 5.50 (# 302:10 Double Ambig)
&rst
ixpk= 302, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 418, 419, 418, 419,
igr2= 585, 465,
&end
#
# 11 VAL MGX 38 GLY HN 3.50 (# 303:10 Unique 1.98, 5.33 A)
&rst
ixpk= 303, nxpk= 10, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 0 AMB 10-2:304 38 GLY HN 4.20 (# 304:10 Single Ambig)
&rst
ixpk= 304, nxpk= 10, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1= 589, 590, 589, 590,
&end
#
# 37 GLN HG+ 38 GLY HN 4.20 (# 305:10 Unique 3.03, 4.46 A)
&rst
ixpk= 305, nxpk= 10, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 592, 593,
&end
#
# 10 ASN HB- 38 GLY HN 5.50 (# 306:10 Unique 5.52, 6.33 A)
&rst
ixpk= 306, nxpk= 10, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 146, 147,
&end
#
# 38 GLY HA- 38 GLY HN 4.20 (# 307:10 Unique 2.51, 2.77 A)
&rst
ixpk= 307, nxpk= 10, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 604, 605,
&end
#
# 0 AMB 10-2:308 38 GLY HN 3.50 (# 308:10 Single Ambig)
&rst
ixpk= 308, nxpk= 10, iat= -1, 602, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 604, 605, 611, 612,
&end
#
# 37 GLN HA 38 GLY HN 3.50 (# 310:10 Unique 2.20, 2.29 A)
&rst
ixpk= 310, nxpk= 10, iat= 587, 602, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 10 ASN HA 38 GLY HN 5.50 (# 311:10 Unique 4.93, 5.20 A)
&rst
ixpk= 311, nxpk= 10, iat= 144, 602, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 ILE HN 38 GLY HN 5.50 (# 312:10 Unique 5.36, 5.52 A)
&rst
ixpk= 312, nxpk= 10, iat= 179, 602, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 13 ILE HN 38 GLY HN 5.50 (# 313:10 Unique 5.36, 5.52 A)
&rst
ixpk= 313, nxpk= 10, iat= 179, 602, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 37 GLN HN 38 GLY HN 5.50 (# 314:10 Unique 4.36, 4.47 A)
&rst
ixpk= 314, nxpk= 10, iat= 585, 602, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 39 GLY HN 38 GLY HN 5.50 (# 315:10 Unique 1.82, 1.89 A)
&rst
ixpk= 315, nxpk= 10, iat= 609, 602, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 11 VAL HN 38 GLY HN 4.20 (# 316:10 Unique 3.22, 3.53 A)
&rst
ixpk= 316, nxpk= 10, iat= 156, 602, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 38 GLY HA- 39 GLY HN 2.80 (# 319:10 Unique 2.74, 3.25 A)
&rst
ixpk= 319, nxpk= 10, iat= -1, 609, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 604, 605,
&end
#
# 39 GLY HA- 39 GLY HN 2.80 (# 320:10 Unique 2.29, 2.58 A)
&rst
ixpk= 320, nxpk= 10, iat= -1, 609, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 611, 612,
&end
#
# 0 AMB 10-2:322 39 GLY HN 2.80 (# 322:10 Single Ambig)
&rst
ixpk= 322, nxpk= 10, iat= -1, 609, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 611, 612, 604, 605,
&end
#
# 0 AMB 10-2:324 39 GLY HN 5.50 (# 324:10 Single Ambig)
&rst
ixpk= 324, nxpk= 10, iat= -1, 609, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 144, 158,
&end
#
# 40 ILE HN 39 GLY HN 4.20 (# 326:10 Unique 3.85, 4.28 A)
&rst
ixpk= 326, nxpk= 10, iat= 616, 609, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 38 GLY HN 39 GLY HN 5.50 (# 329:10 Unique 1.82, 1.89 A)
&rst
ixpk= 329, nxpk= 10, iat= 602, 609, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 11 VAL HN 39 GLY HN 5.50 (# 330:10 Unique 2.26, 2.72 A)
&rst
ixpk= 330, nxpk= 10, iat= 156, 609, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 40 ILE HG1+ 40 ILE HN 4.20 (# 331:10 Unique 2.07, 3.08 A)
&rst
ixpk= 331, nxpk= 10, iat= -1, 616, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 626, 627,
&end
#
# 40 ILE QG2 40 ILE HN 4.20 (# 332:10 Unique 4.28, 4.56 A)
&rst
ixpk= 332, nxpk= 10, iat= -1, 616, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 622, 623, 624,
&end
#
# 0 AMB 10-2:333 40 ILE HN 2.80 (# 333:10 Single Ambig)
&rst
ixpk= 333, nxpk= 10, iat= -1, 616, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 626, 627, 620,
&end
#
# 9 PRO HB+ 40 ILE HN 5.50 (# 334:10 Unique 3.01, 4.27 A)
&rst
ixpk= 334, nxpk= 10, iat= -1, 616, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 135, 136,
&end
#
# 39 GLY HA- 40 ILE HN 3.50 (# 336:10 Unique 2.14, 2.60 A)
&rst
ixpk= 336, nxpk= 10, iat= -1, 616, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 611, 612,
&end
#
# 40 ILE HA 40 ILE HN 4.20 (# 337:10 Unique 2.86, 2.91 A)
&rst
ixpk= 337, nxpk= 10, iat= 618, 616, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 39 GLY HA+ 40 ILE HN 3.50 (# 338:10 Unique 2.14, 2.60 A)
&rst
ixpk= 338, nxpk= 10, iat= -1, 616, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 611, 612,
&end
#
# 10 ASN HA 40 ILE HN 3.50 (# 340:10 Unique 1.97, 2.66 A)
&rst
ixpk= 340, nxpk= 10, iat= 144, 616, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 10 ASN HD2- 40 ILE HN 5.50 (# 341:10 Unique 3.72, 4.55 A)
&rst
ixpk= 341, nxpk= 10, iat= -1, 616, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 151, 152,
&end
#
# 10 ASN HD2+ 40 ILE HN 5.50 (# 342:10 Unique 3.72, 4.55 A)
&rst
ixpk= 342, nxpk= 10, iat= -1, 616, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 151, 152,
&end
#
# 0 AMB 10-2:343 40 ILE HN 5.50 (# 343:10 Single Ambig)
&rst
ixpk= 343, nxpk= 10, iat= -1, 616, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 644, 645,1634,
&end
#
# 39 GLY HN 40 ILE HN 5.50 (# 344:10 Unique 3.85, 4.28 A)
&rst
ixpk= 344, nxpk= 10, iat= 609, 616, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 11 VAL HN 40 ILE HN 5.50 (# 345:10 Unique 3.42, 3.91 A)
&rst
ixpk= 345, nxpk= 10, iat= 156, 616, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:348 15 ILE HN 3.50 (# 348:10 Single Ambig)
&rst
ixpk= 348, nxpk= 10, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
igr1= 224, 225, 227, 228, 229,
&end
#
# 40 ILE QG2 41 ASN HN 3.50 (# 349:10 Unique 2.06, 3.28 A)
&rst
ixpk= 349, nxpk= 10, iat= -1, 635, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 622, 623, 624,
&end
#
# 49 ALA MB 41 ASN HN 3.50 (# 350:10 Unique 1.94, 3.28 A)
&rst
ixpk= 350, nxpk= 10, iat= -1, 635, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 742, 743, 744,
&end
#
# 44 GLU HB+ 41 ASN HN 3.50 (# 351:10 Unique 2.30, 3.11 A)
&rst
ixpk= 351, nxpk= 10, iat= -1, 635, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 674, 675,
&end
#
# 41 ASN HB- 41 ASN HN 4.20 (# 352:10 Unique 2.11, 2.81 A)
&rst
ixpk= 352, nxpk= 10, iat= -1, 635, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 639, 640,
&end
#
# 41 ASN HB+ 41 ASN HN 4.20 (# 353:10 Unique 2.11, 2.81 A)
&rst
ixpk= 353, nxpk= 10, iat= -1, 635, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 639, 640,
&end
#
# 40 ILE HA 41 ASN HN 2.80 (# 354:10 Unique 2.14, 2.17 A)
&rst
ixpk= 354, nxpk= 10, iat= 618, 635, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 41 ASN HA 41 ASN HN 5.50 (# 356:10 Unique 2.75, 2.79 A)
&rst
ixpk= 356, nxpk= 10, iat= 637, 635, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 ARG HE 41 ASN HN 5.50 (# 358:10 Unique 4.11, 5.02 A)
&rst
ixpk= 358, nxpk= 10, iat= 799, 635, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 41 ASN HD2+ 41 ASN HN 5.50 (# 359:10 Unique 4.87, 5.11 A)
&rst
ixpk= 359, nxpk= 10, iat= -1, 635, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 644, 645,
&end
#
# 40 ILE QG2 43 GLY HN 5.50 (# 360:10 Unique 3.60, 4.60 A)
&rst
ixpk= 360, nxpk= 10, iat= -1, 663, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 622, 623, 624,
&end
#
# 0 AMB 10-2:361 43 GLY HN 4.20 (# 361:10 Single Ambig)
&rst
ixpk= 361, nxpk= 10, iat= -1, 663, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1= 656, 657, 135, 136,
&end
#
# 0 AMB 10-2:362 43 GLY HN 5.50 (# 362:10 Single Ambig)
&rst
ixpk= 362, nxpk= 10, iat= -1, 663, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 15, 16, 17, 653, 654,
&end
#
# 0 AMB 10-2:363 43 GLY HN 4.20 (# 363:10 Single Ambig)
&rst
ixpk= 363, nxpk= 10, iat= -1, 663, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1= 674, 675, 653, 654, 677, 678,
&end
#
# 42 PRO HB+ 43 GLY HN 4.20 (# 364:10 Unique 4.13, 4.39 A)
&rst
ixpk= 364, nxpk= 10, iat= -1, 663, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 656, 657,
&end
#
# 43 GLY HA- 43 GLY HN 2.80 (# 365:10 Unique 2.37, 2.71 A)
&rst
ixpk= 365, nxpk= 10, iat= -1, 663, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 665, 666,
&end
#
# 43 GLY HA+ 43 GLY HN 2.80 (# 367:10 Unique 2.37, 2.71 A)
&rst
ixpk= 367, nxpk= 10, iat= -1, 663, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 665, 666,
&end
#
# 42 PRO HA 43 GLY HN 2.80 (# 368:10 Unique 2.29, 2.40 A)
&rst
ixpk= 368, nxpk= 10, iat= 659, 663, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 44 GLU HN 43 GLY HN 2.80 (# 371:10 Unique 1.86, 1.99 A)
&rst
ixpk= 371, nxpk= 10, iat= 670, 663, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 40 ILE QG2 44 GLU HN 3.50 (# 373:10 Unique 2.76, 3.60 A)
&rst
ixpk= 373, nxpk= 10, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 622, 623, 624,
&end
#
# 0 AMB 10-2:374 44 GLU HN 5.50 (# 374:10 Single Ambig)
&rst
ixpk= 374, nxpk= 10, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 742, 743, 744, 626, 627,
&end
#
# 0 AMB 10-2:375 44 GLU HN 5.50 (# 375:10 Single Ambig)
&rst
ixpk= 375, nxpk= 10, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 135, 136, 656, 657,
&end
#
# 44 GLU HB+ 44 GLU HN 2.80 (# 376:10 Unique 2.30, 2.83 A)
&rst
ixpk= 376, nxpk= 10, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 674, 675,
&end
#
# 43 GLY HA- 44 GLU HN 3.50 (# 377:10 Unique 2.90, 3.25 A)
&rst
ixpk= 377, nxpk= 10, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 665, 666,
&end
#
# 43 GLY HA+ 44 GLU HN 3.50 (# 378:10 Unique 2.90, 3.25 A)
&rst
ixpk= 378, nxpk= 10, iat= -1, 670, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 665, 666,
&end
#
# 42 PRO HA 44 GLU HN 4.20 (# 379:10 Unique 3.88, 4.10 A)
&rst
ixpk= 379, nxpk= 10, iat= 659, 670, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 44 GLU HA 44 GLU HN 2.80 (# 381:10 Unique 2.85, 2.93 A)
&rst
ixpk= 381, nxpk= 10, iat= 672, 670, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 45 SER HN 44 GLU HN 5.50 (# 383:10 Unique 4.48, 4.53 A)
&rst
ixpk= 383, nxpk= 10, iat= 685, 670, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 43 GLY HN 44 GLU HN 3.50 (# 384:10 Unique 1.86, 1.99 A)
&rst
ixpk= 384, nxpk= 10, iat= 663, 670, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:385 45 SER HN 5.50 (# 385:10 Single Ambig)
&rst
ixpk= 385, nxpk= 10, iat= -1, 685, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 622, 623, 624, 629, 630, 631,
&end
#
# 0 AMB 10-2:386 45 SER HN 5.50 (# 386:10 Single Ambig)
&rst
ixpk= 386, nxpk= 10, iat= -1, 685, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 742, 743, 744, 626, 627,
&end
#
# 44 GLU HB+ 45 SER HN 2.80 (# 387:10 Unique 2.58, 3.60 A)
&rst
ixpk= 387, nxpk= 10, iat= -1, 685, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 674, 675,
&end
#
# 48 GLN HG+ 45 SER HN 3.50 (# 388:10 Unique 2.55, 3.33 A)
&rst
ixpk= 388, nxpk= 10, iat= -1, 685, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 728, 729,
&end
#
# 45 SER HB- 45 SER HN 3.50 (# 389:10 Unique 2.15, 3.00 A)
&rst
ixpk= 389, nxpk= 10, iat= -1, 685, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 689, 690,
&end
#
# 45 SER HB+ 45 SER HN 4.20 (# 390:10 Unique 2.15, 3.00 A)
&rst
ixpk= 390, nxpk= 10, iat= -1, 685, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 689, 690,
&end
#
# 44 GLU HA 45 SER HN 2.80 (# 391:10 Unique 2.22, 2.29 A)
&rst
ixpk= 391, nxpk= 10, iat= 672, 685, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 44 GLU HN 45 SER HN 5.50 (# 392:10 Unique 4.48, 4.53 A)
&rst
ixpk= 392, nxpk= 10, iat= 670, 685, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 48 GLN HE2+ 45 SER HN 5.50 (# 393:10 Unique 3.24, 5.94 A)
&rst
ixpk= 393, nxpk= 10, iat= -1, 685, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 733, 734,
&end
#
# 49 ALA HN 45 SER HN 5.50 (# 394:10 Unique 3.44, 3.66 A)
&rst
ixpk= 394, nxpk= 10, iat= 738, 685, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 ALA HN 45 SER HN 5.50 (# 395:10 Unique 4.46, 4.54 A)
&rst
ixpk= 395, nxpk= 10, iat= 696, 685, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 47 GLU HN 46 ALA HN 3.50 (# 396:10 Unique 2.62, 2.68 A)
&rst
ixpk= 396, nxpk= 10, iat= 706, 696, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 49 ALA HN 46 ALA HN 5.50 (# 397:10 Unique 4.60, 4.67 A)
&rst
ixpk= 397, nxpk= 10, iat= 738, 696, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 48 GLN HN 46 ALA HN 5.50 (# 398:10 Unique 4.03, 4.12 A)
&rst
ixpk= 398, nxpk= 10, iat= 721, 696, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 74 TRP HH2 46 ALA HN 5.50 (# 399:10 Unique 4.17, 5.00 A)
&rst
ixpk= 399, nxpk= 10, iat=1171, 696, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 SER HB+ 46 ALA HN 3.50 (# 401:10 Unique 2.04, 2.86 A)
&rst
ixpk= 401, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 689, 690,
&end
#
# 46 ALA HA 46 ALA HN 2.80 (# 402:10 Unique 2.78, 2.82 A)
&rst
ixpk= 402, nxpk= 10, iat= 698, 696, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:403 46 ALA HN 5.50 (# 403:10 Single Ambig)
&rst
ixpk= 403, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 710, 711, 677, 678, 713, 714,
&end
#
# 0 AMB 10-2:404 46 ALA HN 5.50 (# 404:10 Single Ambig)
&rst
ixpk= 404, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 710, 711, 160,
&end
#
# 46 ALA MB 46 ALA HN 2.80 (# 405:10 Unique 2.06, 2.89 A)
&rst
ixpk= 405, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 700, 701, 702,
&end
#
# 40 ILE QD1 46 ALA HN 4.20 (# 406:10 Unique 3.49, 5.16 A)
&rst
ixpk= 406, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 629, 630, 631,
&end
#
# 0 AMB 10-2:407 46 ALA HN 5.50 (# 407:10 Single Ambig)
&rst
ixpk= 407, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 626, 627,1058,1059,1060,1567,1568,
&end
#
# 46 ALA HN 47 GLU HN 3.50 (# 408:10 Unique 2.62, 2.68 A)
&rst
ixpk= 408, nxpk= 10, iat= 696, 706, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:409 0 AMB 10-1:409 5.50 (# 409:10 Double Ambig)
&rst
ixpk= 409, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 738, 104,
igr2= 706,1543,
&end
#
# 0 AMB 10-2:410 0 AMB 10-1:410 5.50 (# 410:10 Double Ambig)
&rst
ixpk= 410, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 748,1266,
igr2= 706,1543,
&end
#
# 48 GLN HN 47 GLU HN 3.50 (# 411:10 Unique 2.51, 2.54 A)
&rst
ixpk= 411, nxpk= 10, iat= 721, 706, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:412 47 GLU HN 5.50 (# 412:10 Single Ambig)
&rst
ixpk= 412, nxpk= 10, iat= -1, 706, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 773, 782,1653,1661,
&end
#
# 48 GLN HE2- 47 GLU HN 5.50 (# 413:10 Unique 3.96, 5.33 A)
&rst
ixpk= 413, nxpk= 10, iat= -1, 706, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 733, 734,
&end
#
# 7 TYR HE 95 GLN HN 5.50 (# 415:10 Unique 2.71, 5.68 A)
&rst
ixpk= 415, nxpk= 10, iat= -1,1543, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 93, 98,
&end
#
# 95 GLN HA 95 GLN HN 5.50 (# 416:10 Unique 2.90, 2.94 A)
&rst
ixpk= 416, nxpk= 10, iat=1545,1543, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 SER HB+ 47 GLU HN 5.50 (# 418:10 Unique 2.62, 3.34 A)
&rst
ixpk= 418, nxpk= 10, iat= -1, 706, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 689, 690,
&end
#
# 94 GLY HA+ 95 GLN HN 3.50 (# 419:10 Unique 2.19, 2.61 A)
&rst
ixpk= 419, nxpk= 10, iat= -1,1543, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1538,1539,
&end
#
# 94 GLY HA- 95 GLN HN 4.20 (# 420:10 Unique 2.19, 2.61 A4.2)
&rst
ixpk= 420, nxpk= 10, iat= -1,1543, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1538,1539,
&end
#
# 47 GLU HA 47 GLU HN 3.50 (# 421:10 Unique 2.86, 2.86 A)
&rst
ixpk= 421, nxpk= 10, iat= 708, 706, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 48 GLN HG+ 47 GLU HN 5.50 (# 422:10 Unique 3.88, 5.01 A)
&rst
ixpk= 422, nxpk= 10, iat= -1, 706, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 728, 729,
&end
#
# 47 GLU HB+ 47 GLU HN 2.80 (# 423:10 Unique 2.20, 2.56 A)
&rst
ixpk= 423, nxpk= 10, iat= -1, 706, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 710, 711,
&end
#
# 47 GLU HB- 47 GLU HN 2.80 (# 424:10 Unique 2.20, 2.56 A)
&rst
ixpk= 424, nxpk= 10, iat= -1, 706, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 710, 711,
&end
#
# 46 ALA MB 47 GLU HN 2.80 (# 425:10 Unique 2.55, 3.36 A)
&rst
ixpk= 425, nxpk= 10, iat= -1, 706, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 700, 701, 702,
&end
#
# 0 AMB 10-2:426 47 GLU HN 5.50 (# 426:10 Single Ambig)
&rst
ixpk= 426, nxpk= 10, iat= -1, 706, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 629, 630, 631, 622, 623, 624,
&end
#
# 22 VAL HA 17 ASN HN 5.50 (# 428:10 Unique 3.81, 4.30 A)
&rst
ixpk= 428, nxpk= 10, iat= 325, 244, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 46 ALA HN 48 GLN HN 5.50 (# 429:10 Unique 4.03, 4.12 A)
&rst
ixpk= 429, nxpk= 10, iat= 696, 721, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:430 49 ALA HN 5.50 (# 430:10 Single Ambig)
&rst
ixpk= 430, nxpk= 10, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 162, 163, 164, 166, 167, 168,1609,1610,
&end
#
# 40 ILE QG2 49 ALA HN 4.20 (# 431:10 Unique 3.79, 4.85 A)
&rst
ixpk= 431, nxpk= 10, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 622, 623, 624,
&end
#
# 49 ALA MB 49 ALA HN 2.80 (# 432:10 Unique 2.13, 2.90 A)
&rst
ixpk= 432, nxpk= 10, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 742, 743, 744,
&end
#
# 48 GLN HB- 49 ALA HN 3.50 (# 433:10 Unique 2.47, 3.05 A)
&rst
ixpk= 433, nxpk= 10, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 725, 726,
&end
#
# 48 GLN HB+ 49 ALA HN 2.80 (# 434:10 Unique 2.47, 3.05 A)
&rst
ixpk= 434, nxpk= 10, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 725, 726,
&end
#
# 48 GLN HG+ 49 ALA HN 4.20 (# 435:10 Unique 3.99, 4.57 A)
&rst
ixpk= 435, nxpk= 10, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 728, 729,
&end
#
# 0 AMB 10-2:436 49 ALA HN 3.50 (# 436:10 Single Ambig)
&rst
ixpk= 436, nxpk= 10, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 740, 723, 689, 690,
&end
#
# 44 GLU HA 49 ALA HN 5.50 (# 437:10 Unique 4.88, 5.12 A)
&rst
ixpk= 437, nxpk= 10, iat= 672, 738, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 51 TYR HN 49 ALA HN 5.50 (# 438:10 Unique 4.02, 4.10 A)
&rst
ixpk= 438, nxpk= 10, iat= 765, 738, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 50 MET HN 49 ALA HN 3.50 (# 439:10 Unique 2.54, 2.59 A)
&rst
ixpk= 439, nxpk= 10, iat= 748, 738, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:440 49 ALA HN 5.50 (# 440:10 Single Ambig)
&rst
ixpk= 440, nxpk= 10, iat= -1, 738, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 685, 706,
&end
#
# 113 MET HN 114 GLN HN 4.20 (# 441:10 Unique 1.89, 2.73 A)
&rst
ixpk= 441, nxpk= 10, iat=1843,1860, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:442 0 AMB 10-1:442 3.50 (# 442:10 Double Ambig)
&rst
ixpk= 442, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 738, 40,
igr2= 748, 83,
&end
#
# 51 TYR HN 50 MET HN 3.50 (# 443:10 Unique 2.63, 2.72 A)
&rst
ixpk= 443, nxpk= 10, iat= 765, 748, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 115 THR HN 114 GLN HN 3.50 (# 444:10 Unique 1.94, 2.24 A)
&rst
ixpk= 444, nxpk= 10, iat=1877,1860, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:445 0 AMB 10-1:445 5.50 (# 445:10 Double Ambig)
&rst
ixpk= 445, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 773, 782, 852, 860,1653,1661,
igr2= 748,1860,
&end
#
# 114 GLN HA 114 GLN HN 2.80 (# 447:10 Unique 2.91, 2.93 A)
&rst
ixpk= 447, nxpk= 10, iat=1862,1860, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 113 MET HA 114 GLN HN 4.20 (# 448:10 Unique 2.66, 2.91 A)
&rst
ixpk= 448, nxpk= 10, iat=1845,1860, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:449 114 GLN HN 5.50 (# 449:10 Single Ambig)
&rst
ixpk= 449, nxpk= 10, iat= -1,1860, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1879,1881,
&end
#
# 0 AMB 10-2:450 0 AMB 10-1:450 4.20 (# 450:10 Double Ambig)
&rst
ixpk= 450, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.16, r4= 6.91,
igr1= 740, 723, 912, 913,1881,
igr2= 748,1860,
&end
#
# 50 MET HA 50 MET HN 4.20 (# 451:10 Unique 2.77, 2.80 A)
&rst
ixpk= 451, nxpk= 10, iat= 750, 748, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 47 GLU HA 50 MET HN 4.20 (# 452:10 Unique 3.42, 3.52 A)
&rst
ixpk= 452, nxpk= 10, iat= 708, 748, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 51 TYR HB+ 50 MET HN 5.50 (# 453:10 Unique 4.51, 5.39 A)
&rst
ixpk= 453, nxpk= 10, iat= -1, 748, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 769, 770,
&end
#
# 113 MET HG+ 114 GLN HN 5.50 (# 454:10 Unique 4.53, 5.09 A)
&rst
ixpk= 454, nxpk= 10, iat= -1,1860, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1850,1851,
&end
#
# 0 AMB 10-2:455 114 GLN HN 2.80 (# 455:10 Single Ambig)
&rst
ixpk= 455, nxpk= 10, iat= -1,1860, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1867,1868,1864,1865,
&end
#
# 114 GLN HB- 114 GLN HN 3.50 (# 456:10 Unique 2.66, 3.38 A)
&rst
ixpk= 456, nxpk= 10, iat= -1,1860, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1864,1865,
&end
#
# 113 MET HB+ 114 GLN HN 4.20 (# 457:10 Unique 3.65, 4.26 A)
&rst
ixpk= 457, nxpk= 10, iat= -1,1860, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1847,1848,
&end
#
# 0 AMB 10-2:458 50 MET HN 2.80 (# 458:10 Single Ambig)
&rst
ixpk= 458, nxpk= 10, iat= -1, 748, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1= 742, 743, 744, 626, 627,
&end
#
# 50 MET HB- 50 MET HN 4.20 (# 459:10 Unique 2.28, 2.53 A)
&rst
ixpk= 459, nxpk= 10, iat= -1, 748, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 752, 753,
&end
#
# 11 VAL MGY 50 MET HN 4.20 (# 460:10 Unique 2.97, 4.60 A)
&rst
ixpk= 460, nxpk= 10, iat= -1, 748, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 11 VAL MGX 50 MET HN 3.50 (# 461:10 Unique 2.97, 4.60 A)
&rst
ixpk= 461, nxpk= 10, iat= -1, 748, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 115 THR MG2 114 GLN HN 4.20 (# 462:10 Unique 4.25, 5.58 A)
&rst
ixpk= 462, nxpk= 10, iat= -1,1860, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1883,1884,1885,
&end
#
# 0 AMB 10-2:463 0 AMB 10-1:463 4.20 (# 463:10 Double Ambig)
&rst
ixpk= 463, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.52, r4= 7.27,
igr1=1527,1528, 759, 760, 761,1606,1607,
igr2= 83, 748,
&end
#
# 50 MET ME 51 TYR HN 3.50 (# 464:10 Unique 3.48, 4.98 A)
&rst
ixpk= 464, nxpk= 10, iat= -1, 765, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 759, 760, 761,
&end
#
# 0 AMB 10-2:465 51 TYR HN 4.20 (# 465:10 Single Ambig)
&rst
ixpk= 465, nxpk= 10, iat= -1, 765, r1= 0.00, r2= 1.80, r3= 7.27, r4= 8.02,
igr1= 162, 163, 164, 166, 167, 168, 834, 835, 836, 838,
839, 840, 834, 835, 836, 838, 839, 840, 185, 186,
187,1693,1694,1695,1697,1698,1699,
&end
#
# 0 AMB 10-2:466 0 AMB 10-1:466 5.50 (# 466:10 Double Ambig)
&rst
ixpk= 466, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 162, 163, 164, 166, 167, 168,2570,2571,2572,2574,
2575,2576,1073,1074,1075,1077,1078,1079,
igr2= 765,2673,
&end
#
# 0 AMB 10-2:467 0 AMB 10-1:467 3.50 (# 467:10 Double Ambig)
&rst
ixpk= 467, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1= 752, 753,2679,2680,2681,
igr2= 765,2673,
&end
#
# 0 AMB 10-2:468 51 TYR HN 2.80 (# 468:10 Single Ambig)
&rst
ixpk= 468, nxpk= 10, iat= -1, 765, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 752, 753, 755, 756,
&end
#
# 0 AMB 10-2:469 0 AMB 10-1:469 5.50 (# 469:10 Double Ambig)
&rst
ixpk= 469, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 713, 714, 829, 830,2648,2649, 262, 263,
igr2= 765,2673,
&end
#
# 0 AMB 10-2:470 51 TYR HN 5.50 (# 470:10 Single Ambig)
&rst
ixpk= 470, nxpk= 10, iat= -1, 765, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 713, 714, 677, 678,
&end
#
# 51 TYR HB- 51 TYR HN 2.80 (# 471:10 Unique 2.17, 2.86 A)
&rst
ixpk= 471, nxpk= 10, iat= -1, 765, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 769, 770,
&end
#
# 51 TYR HB+ 51 TYR HN 3.50 (# 472:10 Unique 2.17, 2.86 A)
&rst
ixpk= 472, nxpk= 10, iat= -1, 765, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 769, 770,
&end
#
# 50 MET HA 51 TYR HN 4.20 (# 473:10 Unique 3.53, 3.54 A)
&rst
ixpk= 473, nxpk= 10, iat= 750, 765, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:474 51 TYR HN 2.80 (# 474:10 Single Ambig)
&rst
ixpk= 474, nxpk= 10, iat= -1, 765, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1= 767, 723, 740,
&end
#
# 51 TYR HE 51 TYR HN 5.50 (# 476:10 Unique 4.44, 5.64 A)
&rst
ixpk= 476, nxpk= 10, iat= -1, 765, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 775, 780,
&end
#
# 51 TYR HD 51 TYR HN 3.50 (# 477:10 Unique 2.00, 3.69 A)
&rst
ixpk= 477, nxpk= 10, iat= -1, 765, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 773, 782,
&end
#
# 159 GLN HN 162 THR HN 5.50 (# 478:10 Unique)
&rst
ixpk= 478, nxpk= 10, iat=2627,2673, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:479 51 TYR HN 2.80 (# 479:10 Single Ambig)
&rst
ixpk= 479, nxpk= 10, iat= -1, 765, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 786, 748,
&end
#
# 49 ALA HN 51 TYR HN 5.50 (# 480:10 Unique 4.02, 4.10 A)
&rst
ixpk= 480, nxpk= 10, iat= 738, 765, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:481 51 TYR HN 5.50 (# 481:10 Single Ambig)
&rst
ixpk= 481, nxpk= 10, iat= -1, 765, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 810, 706,
&end
#
# 53 GLU HN 52 ARG HN 3.50 (# 482:10 Unique 2.55, 2.64 A)
&rst
ixpk= 482, nxpk= 10, iat= 810, 786, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 51 TYR HN 52 ARG HN 4.20 (# 483:10 Unique 2.58, 2.68 A)
&rst
ixpk= 483, nxpk= 10, iat= 765, 786, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:484 52 ARG HN 5.50 (# 484:10 Single Ambig)
&rst
ixpk= 484, nxpk= 10, iat= -1, 786, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 773, 782, 644, 645,
&end
#
# 52 ARG HA 52 ARG HN 3.50 (# 485:10 Unique 2.81, 2.83 A)
&rst
ixpk= 485, nxpk= 10, iat= 788, 786, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:486 52 ARG HN 3.50 (# 486:10 Single Ambig)
&rst
ixpk= 486, nxpk= 10, iat= -1, 786, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 740, 767, 723,
&end
#
# 0 AMB 10-2:487 52 ARG HN 5.50 (# 487:10 Single Ambig)
&rst
ixpk= 487, nxpk= 10, iat= -1, 786, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 796, 797, 848, 849,
&end
#
# 52 ARG HD+ 52 ARG HN 4.20 (# 488:10 Unique 4.41, 5.32 A)
&rst
ixpk= 488, nxpk= 10, iat= -1, 786, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 796, 797,
&end
#
# 51 TYR HB- 52 ARG HN 4.20 (# 489:10 Unique 2.65, 2.99 A)
&rst
ixpk= 489, nxpk= 10, iat= -1, 786, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 769, 770,
&end
#
# 0 AMB 10-2:490 52 ARG HN 5.50 (# 490:10 Single Ambig)
&rst
ixpk= 490, nxpk= 10, iat= -1, 786, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 677, 678, 886, 887,
&end
#
# 52 ARG HB- 52 ARG HN 3.50 (# 491:10 Unique 2.07, 2.58 A)
&rst
ixpk= 491, nxpk= 10, iat= -1, 786, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 790, 791,
&end
#
# 52 ARG HB+ 52 ARG HN 2.80 (# 492:10 Unique 2.07, 2.58 A)
&rst
ixpk= 492, nxpk= 10, iat= -1, 786, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 790, 791,
&end
#
# 0 AMB 10-2:493 52 ARG HN 5.50 (# 493:10 Single Ambig)
&rst
ixpk= 493, nxpk= 10, iat= -1, 786, r1= 0.00, r2= 1.80, r3= 9.14, r4= 9.89,
igr1= 834, 835, 836, 838, 839, 840, 834, 835, 836, 838,
839, 840, 162, 163, 164, 166, 167, 168, 185, 186,
187,
&end
#
# 0 AMB 10-2:494 53 GLU HN 5.50 (# 494:10 Single Ambig)
&rst
ixpk= 494, nxpk= 10, iat= -1, 810, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 185, 186, 187, 834, 835, 836, 838, 839, 840, 227,
228, 229,
&end
#
# 0 AMB 10-2:495 53 GLU HN 4.20 (# 495:10 Single Ambig)
&rst
ixpk= 495, nxpk= 10, iat= -1, 810, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
igr1= 829, 830, 742, 743, 744, 626, 627,
&end
#
# 0 AMB 10-2:496 53 GLU HN 2.80 (# 496:10 Single Ambig)
&rst
ixpk= 496, nxpk= 10, iat= -1, 810, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 814, 815, 793, 794, 790, 791,
&end
#
# 53 GLU HG- 53 GLU HN 2.80 (# 497:10 Unique 1.92, 3.67 A)
&rst
ixpk= 497, nxpk= 10, iat= -1, 810, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 817, 818,
&end
#
# 0 AMB 10-2:498 53 GLU HN 5.50 (# 498:10 Single Ambig)
&rst
ixpk= 498, nxpk= 10, iat= -1, 810, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 886, 887, 677, 678, 883, 884, 898,
&end
#
# 0 AMB 10-2:499 53 GLU HN 5.50 (# 499:10 Single Ambig)
&rst
ixpk= 499, nxpk= 10, iat= -1, 810, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 750, 848, 849,
&end
#
# 54 LEU HA 53 GLU HN 5.50 (# 500:10 Unique 5.06, 5.13 A)
&rst
ixpk= 500, nxpk= 10, iat= 827, 810, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 53 GLU HA 53 GLU HN 3.50 (# 501:10 Unique 2.82, 2.84 A)
&rst
ixpk= 501, nxpk= 10, iat= 812, 810, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:502 53 GLU HN 5.50 (# 502:10 Single Ambig)
&rst
ixpk= 502, nxpk= 10, iat= -1, 810, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 773, 782, 852, 860, 644, 645,
&end
#
# 55 PHE HN 53 GLU HN 5.50 (# 503:10 Unique 4.17, 4.25 A)
&rst
ixpk= 503, nxpk= 10, iat= 844, 810, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 ARG HN 53 GLU HN 3.50 (# 504:10 Unique 2.55, 2.64 A)
&rst
ixpk= 504, nxpk= 10, iat= 786, 810, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 54 LEU HN 53 GLU HN 4.20 (# 505:10 Unique 2.48, 2.53 A)
&rst
ixpk= 505, nxpk= 10, iat= 825, 810, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:506 54 LEU HN 5.50 (# 506:10 Single Ambig)
&rst
ixpk= 506, nxpk= 10, iat= -1, 825, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 786, 748,
&end
#
# 51 TYR HA 54 LEU HN 4.20 (# 507:10 Unique 3.40, 3.56 A)
&rst
ixpk= 507, nxpk= 10, iat= 767, 825, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 54 LEU HA 54 LEU HN 4.20 (# 508:10 Unique 2.77, 2.78 A)
&rst
ixpk= 508, nxpk= 10, iat= 827, 825, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:509 54 LEU HN 5.50 (# 509:10 Single Ambig)
&rst
ixpk= 509, nxpk= 10, iat= -1, 825, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 750, 848, 849,
&end
#
# 0 AMB 10-2:510 54 LEU HN 5.50 (# 510:10 Single Ambig)
&rst
ixpk= 510, nxpk= 10, iat= -1, 825, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 886, 887, 883, 884, 898,
&end
#
# 0 AMB 10-2:511 54 LEU HN 2.80 (# 511:10 Single Ambig)
&rst
ixpk= 511, nxpk= 10, iat= -1, 825, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 829, 830, 817, 818,
&end
#
# 0 AMB 10-2:512 54 LEU HN 4.20 (# 512:10 Single Ambig)
&rst
ixpk= 512, nxpk= 10, iat= -1, 825, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1= 814, 815, 790, 791,
&end
#
# 54 LEU HB- 54 LEU HN 2.80 (# 513:10 Unique 2.20, 2.51 A)
&rst
ixpk= 513, nxpk= 10, iat= -1, 825, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 829, 830,
&end
#
# 0 AMB 10-2:514 54 LEU HN 3.50 (# 514:10 Single Ambig)
&rst
ixpk= 514, nxpk= 10, iat= -1, 825, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
igr1= 185, 186, 187, 834, 835, 836, 838, 839, 840, 834,
835, 836, 838, 839, 840, 162, 163, 164, 166, 167,
168,
&end
#
# 0 AMB 10-2:515 55 PHE HN 3.50 (# 515:10 Single Ambig)
&rst
ixpk= 515, nxpk= 10, iat= -1, 844, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 834, 835, 836, 838, 839, 840, 834, 835, 836, 838,
839, 840,
&end
#
# 0 AMB 10-2:516 55 PHE HN 4.20 (# 516:10 Single Ambig)
&rst
ixpk= 516, nxpk= 10, iat= -1, 844, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1= 832, 793, 794,
&end
#
# 0 AMB 10-2:517 55 PHE HN 3.50 (# 517:10 Single Ambig)
&rst
ixpk= 517, nxpk= 10, iat= -1, 844, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 829, 830, 868, 869,
&end
#
# 55 PHE HB- 55 PHE HN 3.50 (# 518:10 Unique 2.32, 2.55 A)
&rst
ixpk= 518, nxpk= 10, iat= -1, 844, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 848, 849,
&end
#
# 55 PHE HB+ 55 PHE HN 3.50 (# 519:10 Unique 2.32, 2.55 A)
&rst
ixpk= 519, nxpk= 10, iat= -1, 844, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 848, 849,
&end
#
# 54 LEU HA 55 PHE HN 4.20 (# 520:10 Unique 3.50, 3.52 A)
&rst
ixpk= 520, nxpk= 10, iat= 827, 844, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 51 TYR HA 55 PHE HN 5.50 (# 521:10 Unique 4.23, 4.67 A)
&rst
ixpk= 521, nxpk= 10, iat= 767, 844, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 55 PHE HA 55 PHE HN 3.50 (# 522:10 Unique 2.82, 2.85 A)
&rst
ixpk= 522, nxpk= 10, iat= 846, 844, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:524 55 PHE HN 4.20 (# 524:10 Single Ambig)
&rst
ixpk= 524, nxpk= 10, iat= -1, 844, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1= 852, 860, 773, 782,
&end
#
# 0 AMB 10-2:525 55 PHE HN 5.50 (# 525:10 Single Ambig)
&rst
ixpk= 525, nxpk= 10, iat= -1, 844, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 894, 854, 858,
&end
#
# 0 AMB 10-2:526 55 PHE HN 3.50 (# 526:10 Single Ambig)
&rst
ixpk= 526, nxpk= 10, iat= -1, 844, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 864, 879,
&end
#
# 54 LEU HN 55 PHE HN 4.20 (# 527:10 Unique 2.69, 2.73 A)
&rst
ixpk= 527, nxpk= 10, iat= 825, 844, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 58 VAL MGX 56 GLU HN 5.50 (# 530:10 Unique 5.16, 7.55 A)
&rst
ixpk= 530, nxpk= 10, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 900, 901, 902, 904, 905, 906,
&end
#
# 0 AMB 10-2:531 56 GLU HN 5.50 (# 531:10 Single Ambig)
&rst
ixpk= 531, nxpk= 10, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 829, 830, 418, 419,
&end
#
# 56 GLU HB+ 56 GLU HN 2.80 (# 533:10 Unique 2.42, 3.09 A)
&rst
ixpk= 533, nxpk= 10, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 868, 869,
&end
#
# 56 GLU HG- 56 GLU HN 3.50 (# 534:10 Unique 2.33, 2.82 A)
&rst
ixpk= 534, nxpk= 10, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 871, 872,
&end
#
# 56 GLU HG+ 56 GLU HN 3.50 (# 535:10 Unique 2.33, 2.82 A)
&rst
ixpk= 535, nxpk= 10, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 871, 872,
&end
#
# 55 PHE HB- 56 GLU HN 4.20 (# 536:10 Unique 2.63, 3.47 A)
&rst
ixpk= 536, nxpk= 10, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 848, 849,
&end
#
# 55 PHE HB+ 56 GLU HN 4.20 (# 537:10 Unique 2.63, 3.47 A)
&rst
ixpk= 537, nxpk= 10, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 848, 849,
&end
#
# 56 GLU HA 56 GLU HN 3.50 (# 538:10 Unique 2.88, 2.90 A)
&rst
ixpk= 538, nxpk= 10, iat= 866, 864, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 53 GLU HA 56 GLU HN 5.50 (# 539:10 Unique 3.09, 3.19 A)
&rst
ixpk= 539, nxpk= 10, iat= 812, 864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 55 PHE HA 56 GLU HN 4.20 (# 540:10 Unique 3.40, 3.47 A)
&rst
ixpk= 540, nxpk= 10, iat= 846, 864, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 55 PHE HD 56 GLU HN 5.50 (# 542:10 Unique 3.65, 4.90 A)
&rst
ixpk= 542, nxpk= 10, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 852, 860,
&end
#
# 55 PHE HN 56 GLU HN 3.50 (# 543:10 Unique 2.44, 2.51 A)
&rst
ixpk= 543, nxpk= 10, iat= 844, 864, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 54 LEU HN 56 GLU HN 5.50 (# 544:10 Unique 3.87, 4.04 A)
&rst
ixpk= 544, nxpk= 10, iat= 825, 864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:547 57 GLU HN 5.50 (# 547:10 Single Ambig)
&rst
ixpk= 547, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 8.20, r4= 8.95,
igr1= 189, 190, 192, 193, 194, 926, 927, 928, 930, 931,
932,
&end
#
# 58 VAL MGX 57 GLU HN 3.50 (# 548:10 Unique 3.80, 6.02 A)
&rst
ixpk= 548, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 900, 901, 902, 904, 905, 906,
&end
#
# 120 GLU HB+ 57 GLU HN 5.50 (# 549:10 Unique 9.95,11.52 A)
&rst
ixpk= 549, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1945,1946,
&end
#
# 56 GLU HB+ 57 GLU HN 3.50 (# 550:10 Unique 2.61, 3.50 A)
&rst
ixpk= 550, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 868, 869,
&end
#
# 57 GLU HG+ 57 GLU HN 3.50 (# 551:10 Unique 1.72, 3.01 A)
&rst
ixpk= 551, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 886, 887,
&end
#
# 57 GLU HG- 57 GLU HN 4.20 (# 552:10 Unique 1.72, 3.01 A)
&rst
ixpk= 552, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 886, 887,
&end
#
# 56 GLU HA 57 GLU HN 5.50 (# 553:10 Unique 3.41, 3.45 A)
&rst
ixpk= 553, nxpk= 10, iat= 866, 879, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:554 57 GLU HN 5.50 (# 554:10 Single Ambig)
&rst
ixpk= 554, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 846, 604, 605,
&end
#
# 58 VAL HN 57 GLU HN 3.50 (# 556:10 Unique 2.25, 2.34 A)
&rst
ixpk= 556, nxpk= 10, iat= 894, 879, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 GLY HN 57 GLU HN 4.20 (# 557:10 Unique 3.09, 3.17 A)
&rst
ixpk= 557, nxpk= 10, iat= 910, 879, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 55 PHE HN 57 GLU HN 5.50 (# 558:10 Unique 3.78, 3.92 A)
&rst
ixpk= 558, nxpk= 10, iat= 844, 879, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 57 GLU HN 58 VAL HN 3.50 (# 559:10 Unique 2.25, 2.34 A)
&rst
ixpk= 559, nxpk= 10, iat= 879, 894, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 GLY HN 58 VAL HN 3.50 (# 561:10 Unique 1.78, 2.00 A)
&rst
ixpk= 561, nxpk= 10, iat= 910, 894, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 58 VAL HA 58 VAL HN 4.20 (# 563:10 Unique 2.92, 2.94 A)
&rst
ixpk= 563, nxpk= 10, iat= 896, 894, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 59 GLY HA+ 58 VAL HN 5.50 (# 564:10 Unique 4.06, 4.44 A)
&rst
ixpk= 564, nxpk= 10, iat= -1, 894, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 912, 913,
&end
#
# 56 GLU HA 58 VAL HN 5.50 (# 565:10 Unique 4.76, 4.91 A)
&rst
ixpk= 565, nxpk= 10, iat= 866, 894, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 59 GLY HA- 58 VAL HN 5.50 (# 566:10 Unique 4.06, 4.44 A)
&rst
ixpk= 566, nxpk= 10, iat= -1, 894, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 912, 913,
&end
#
# 57 GLU HB- 58 VAL HN 5.50 (# 567:10 Unique 2.37, 3.29 A)
&rst
ixpk= 567, nxpk= 10, iat= -1, 894, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 883, 884,
&end
#
# 0 AMB 10-2:568 58 VAL HN 3.50 (# 568:10 Single Ambig)
&rst
ixpk= 568, nxpk= 10, iat= -1, 894, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 883, 884, 898,
&end
#
# 58 VAL MGX 58 VAL HN 2.80 (# 570:10 Unique 1.94, 3.91 A)
&rst
ixpk= 570, nxpk= 10, iat= -1, 894, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 900, 901, 902, 904, 905, 906,
&end
#
# 0 AMB 10-2:571 59 GLY HN 5.50 (# 571:10 Single Ambig)
&rst
ixpk= 571, nxpk= 10, iat= -1, 910, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932, 189, 190,
&end
#
# 0 AMB 10-2:572 59 GLY HN 2.80 (# 572:10 Single Ambig)
&rst
ixpk= 572, nxpk= 10, iat= -1, 910, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 900, 901, 902, 904, 905, 906, 900, 901, 902, 904,
905, 906,
&end
#
# 0 AMB 10-2:574 59 GLY HN 5.50 (# 574:10 Single Ambig)
&rst
ixpk= 574, nxpk= 10, iat= -1, 910, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 898, 886, 887, 883, 884,
&end
#
# 59 GLY HA- 59 GLY HN 3.50 (# 575:10 Unique 2.29, 2.55 A)
&rst
ixpk= 575, nxpk= 10, iat= -1, 910, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 912, 913,
&end
#
# 59 GLY HA+ 59 GLY HN 3.50 (# 576:10 Unique 2.29, 2.55 A)
&rst
ixpk= 576, nxpk= 10, iat= -1, 910, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 912, 913,
&end
#
# 0 AMB 10-2:577 59 GLY HN 3.50 (# 577:10 Single Ambig)
&rst
ixpk= 577, nxpk= 10, iat= -1, 910, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 846, 896,
&end
#
# 60 LEU HN 59 GLY HN 4.20 (# 579:10 Unique 2.39, 2.70 A)
&rst
ixpk= 579, nxpk= 10, iat= 917, 910, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 58 VAL HN 59 GLY HN 2.80 (# 581:10 Unique 1.78, 2.00 A)
&rst
ixpk= 581, nxpk= 10, iat= 894, 910, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:582 59 GLY HN 4.20 (# 582:10 Single Ambig)
&rst
ixpk= 582, nxpk= 10, iat= -1, 910, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 879, 864,
&end
#
# 59 GLY HN 60 LEU HN 3.50 (# 584:10 Unique 2.39, 2.70 A)
&rst
ixpk= 584, nxpk= 10, iat= 910, 917, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:585 60 LEU HN 5.50 (# 585:10 Single Ambig)
&rst
ixpk= 585, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 894, 854, 858,
&end
#
# 55 PHE HD 60 LEU HN 5.50 (# 586:10 Unique 3.80, 5.28 A)
&rst
ixpk= 586, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 852, 860,
&end
#
# 60 LEU HA 60 LEU HN 4.20 (# 587:10 Unique 2.90, 2.91 A)
&rst
ixpk= 587, nxpk= 10, iat= 919, 917, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 55 PHE HA 60 LEU HN 3.50 (# 588:10 Unique 1.92, 2.50 A)
&rst
ixpk= 588, nxpk= 10, iat= 846, 917, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 59 GLY HA+ 60 LEU HN 5.50 (# 589:10 Unique 2.71, 3.23 A)
&rst
ixpk= 589, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 912, 913,
&end
#
# 59 GLY HA- 60 LEU HN 4.20 (# 590:10 Unique 2.71, 3.23 A)
&rst
ixpk= 590, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 912, 913,
&end
#
# 58 VAL HB 60 LEU HN 5.50 (# 591:10 Unique 2.48, 3.29 A)
&rst
ixpk= 591, nxpk= 10, iat= 898, 917, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 54 LEU HG 60 LEU HN 4.20 (# 592:10 Unique 2.45, 2.97 A)
&rst
ixpk= 592, nxpk= 10, iat= 832, 917, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 60 LEU HG 60 LEU HN 5.50 (# 593:10 Unique 3.71, 4.26 A)
&rst
ixpk= 593, nxpk= 10, iat= 924, 917, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 58 VAL MGX 60 LEU HN 2.80 (# 594:10 Unique 1.86, 4.45 A)
&rst
ixpk= 594, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 900, 901, 902, 904, 905, 906,
&end
#
# 0 AMB 10-2:595 60 LEU HN 3.50 (# 595:10 Single Ambig)
&rst
ixpk= 595, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
&end
#
# 55 PHE HB+ 60 LEU HN 5.50 (# 596:10 Unique 3.89, 5.04 A)
&rst
ixpk= 596, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 848, 849,
&end
#
# 55 PHE HN 60 LEU HN 5.50 (# 597:10 Unique 4.07, 4.66 A)
&rst
ixpk= 597, nxpk= 10, iat= 844, 917, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:598 61 SER HN 2.80 (# 598:10 Single Ambig)
&rst
ixpk= 598, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
&end
#
# 0 AMB 10-2:599 61 SER HN 4.20 (# 599:10 Single Ambig)
&rst
ixpk= 599, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1=1011,1012,1013,1015,1016,1017, 900, 901, 902, 904,
905, 906,1745,1746,1747,1749,1750,1751,
&end
#
# 60 LEU HB+ 61 SER HN 3.50 (# 600:10 Unique 2.65, 3.52 A)
&rst
ixpk= 600, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 921, 922,
&end
#
# 64 ASP HB+ 61 SER HN 5.50 (# 601:10 Unique 2.07, 3.01 A)
&rst
ixpk= 601, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 997, 998,
&end
#
# 61 SER HB- 61 SER HN 3.50 (# 602:10 Unique 2.13, 3.09 A)
&rst
ixpk= 602, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 940, 941,
&end
#
# 0 AMB 10-2:605 62 ARG HN 5.50 (# 605:10 Single Ambig)
&rst
ixpk= 605, nxpk= 10, iat= -1, 947, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 834, 835, 836, 838, 839, 840, 834, 835, 836, 838,
839, 840,
&end
#
# 62 ARG HG- 62 ARG HN 3.50 (# 606:10 Unique 1.91, 2.42 A)
&rst
ixpk= 606, nxpk= 10, iat= -1, 947, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 954, 955,
&end
#
# 62 ARG HG+ 62 ARG HN 2.80 (# 607:10 Unique 1.91, 2.42 A)
&rst
ixpk= 607, nxpk= 10, iat= -1, 947, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 954, 955,
&end
#
# 0 AMB 10-2:608 62 ARG HN 2.80 (# 608:10 Single Ambig)
&rst
ixpk= 608, nxpk= 10, iat= -1, 947, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 951, 952, 951, 952,
&end
#
# 0 AMB 10-2:609 62 ARG HN 5.50 (# 609:10 Single Ambig)
&rst
ixpk= 609, nxpk= 10, iat= -1, 947, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 975, 976, 975, 976,
&end
#
# 0 AMB 10-2:610 62 ARG HN 4.20 (# 610:10 Single Ambig)
&rst
ixpk= 610, nxpk= 10, iat= -1, 947, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1= 957, 958, 769, 770,
&end
#
# 62 ARG HA 62 ARG HN 2.80 (# 611:10 Unique 2.78, 2.82 A)
&rst
ixpk= 611, nxpk= 10, iat= 949, 947, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 61 SER HA 62 ARG HN 2.80 (# 613:10 Unique 2.23, 2.35 A)
&rst
ixpk= 613, nxpk= 10, iat= 938, 947, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 51 TYR HE 62 ARG HN 5.50 (# 614:10 Unique 4.98, 6.93 A)
&rst
ixpk= 614, nxpk= 10, iat= -1, 947, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 775, 780,
&end
#
# 0 AMB 10-2:615 62 ARG HN 5.50 (# 615:10 Single Ambig)
&rst
ixpk= 615, nxpk= 10, iat= -1, 947, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 773, 782, 852, 860,
&end
#
# 63 LYS HN 62 ARG HN 3.50 (# 616:10 Unique 2.46, 2.63 A)
&rst
ixpk= 616, nxpk= 10, iat= 971, 947, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 61 SER HN 62 ARG HN 5.50 (# 617:10 Unique 4.53, 4.58 A)
&rst
ixpk= 617, nxpk= 10, iat= 936, 947, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 ARG HN 63 LYS HN 3.50 (# 619:10 Unique 2.46, 2.63 A)
&rst
ixpk= 619, nxpk= 10, iat= 947, 971, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 63 LYS HA 63 LYS HN 2.80 (# 622:10 Unique 2.83, 2.87 A)
&rst
ixpk= 622, nxpk= 10, iat= 973, 971, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 62 ARG HA 63 LYS HN 3.50 (# 623:10 Unique 3.48, 3.52 A)
&rst
ixpk= 623, nxpk= 10, iat= 949, 971, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 64 ASP HB+ 63 LYS HN 5.50 (# 625:10 Unique 4.27, 5.23 A)
&rst
ixpk= 625, nxpk= 10, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 997, 998,
&end
#
# 62 ARG HD+ 63 LYS HN 5.50 (# 626:10 Unique 4.13, 4.57 A)
&rst
ixpk= 626, nxpk= 10, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 957, 958,
&end
#
# 0 AMB 10-2:627 63 LYS HN 2.80 (# 627:10 Single Ambig)
&rst
ixpk= 627, nxpk= 10, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 975, 976, 975, 976,
&end
#
# 0 AMB 10-2:628 63 LYS HN 2.80 (# 628:10 Single Ambig)
&rst
ixpk= 628, nxpk= 10, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 951, 952, 951, 952,
&end
#
# 0 AMB 10-2:629 63 LYS HN 2.80 (# 629:10 Single Ambig)
&rst
ixpk= 629, nxpk= 10, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1= 954, 955, 978, 979, 978, 979,
&end
#
# 62 ARG HG- 63 LYS HN 4.20 (# 630:10 Unique 1.94, 2.52 A)
&rst
ixpk= 630, nxpk= 10, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 954, 955,
&end
#
# 0 AMB 10-2:631 64 ASP HN 4.20 (# 631:10 Single Ambig)
&rst
ixpk= 631, nxpk= 10, iat= -1, 993, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
&end
#
# 0 AMB 10-2:632 64 ASP HN 2.80 (# 632:10 Single Ambig)
&rst
ixpk= 632, nxpk= 10, iat= -1, 993, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
igr1=1011,1012,1013,1015,1016,1017,1011,1012,1013,1015,
1016,1017, 954, 955,1745,1746,1747,1749,1750,1751,
&end
#
# 0 AMB 10-2:633 64 ASP HN 4.20 (# 633:10 Single Ambig)
&rst
ixpk= 633, nxpk= 10, iat= -1, 993, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1= 978, 979, 978, 979,
&end
#
# 60 LEU HG 64 ASP HN 4.20 (# 634:10 Unique 5.35, 6.65 A)
&rst
ixpk= 634, nxpk= 10, iat= 924, 993, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 63 LYS HD- 64 ASP HN 4.50 (# 635:10 Unique 3.63, 4.12 A)
&rst
ixpk= 635, nxpk= 10, iat= -1, 993, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 981, 982,
&end
#
# 0 AMB 10-2:636 64 ASP HN 4.20 (# 636:10 Single Ambig)
&rst
ixpk= 636, nxpk= 10, iat= -1, 993, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1= 975, 976, 975, 976,
&end
#
# 64 ASP HB+ 64 ASP HN 2.80 (# 637:10 Unique 2.24, 2.97 A)
&rst
ixpk= 637, nxpk= 10, iat= -1, 993, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 997, 998,
&end
#
# 62 ARG HA 64 ASP HN 5.50 (# 638:10 Unique 3.60, 3.76 A)
&rst
ixpk= 638, nxpk= 10, iat= 949, 993, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 61 SER HB+ 64 ASP HN 5.50 (# 639:10 Unique 2.32, 3.37 A)
&rst
ixpk= 639, nxpk= 10, iat= -1, 993, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 940, 941,
&end
#
# 63 LYS HA 64 ASP HN 4.20 (# 640:10 Unique 3.25, 3.34 A)
&rst
ixpk= 640, nxpk= 10, iat= 973, 993, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 65 VAL HN 64 ASP HN 2.80 (# 642:10 Unique 2.31, 2.45 A)
&rst
ixpk= 642, nxpk= 10, iat=1005, 993, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 61 SER HN 64 ASP HN 5.50 (# 643:10 Unique 3.78, 4.06 A)
&rst
ixpk= 643, nxpk= 10, iat= 936, 993, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 105 VAL HN 65 VAL HN 5.50 (# 644:10 Unique 4.30, 4.58 A)
&rst
ixpk= 644, nxpk= 10, iat=1739,1005, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 ARG HN 65 VAL HN 5.50 (# 645:10 Unique 5.27, 5.50 A)
&rst
ixpk= 645, nxpk= 10, iat= 947,1005, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 ARG HN 65 VAL HN 5.50 (# 646:10 Unique 4.22, 4.34 A)
&rst
ixpk= 646, nxpk= 10, iat=1021,1005, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 64 ASP HN 65 VAL HN 2.80 (# 647:10 Unique 2.31, 2.45 A)
&rst
ixpk= 647, nxpk= 10, iat= 993,1005, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 65 VAL HA 65 VAL HN 4.20 (# 648:10 Unique 2.90, 2.91 A)
&rst
ixpk= 648, nxpk= 10, iat=1007,1005, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 63 LYS HA 65 VAL HN 5.50 (# 650:10 Unique 3.35, 3.44 A)
&rst
ixpk= 650, nxpk= 10, iat= 973,1005, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 ARG HA 65 VAL HN 5.50 (# 651:10 Unique 3.71, 4.02 A)
&rst
ixpk= 651, nxpk= 10, iat= 949,1005, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 64 ASP HB+ 65 VAL HN 4.20 (# 652:10 Unique 3.53, 3.97 A)
&rst
ixpk= 652, nxpk= 10, iat= -1,1005, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 997, 998,
&end
#
# 105 VAL HB 65 VAL HN 5.50 (# 653:10 Unique 4.04, 4.86 A)
&rst
ixpk= 653, nxpk= 10, iat=1743,1005, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 65 VAL HB 65 VAL HN 5.50 (# 654:10 Unique 3.10, 3.21 A)
&rst
ixpk= 654, nxpk= 10, iat=1009,1005, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 63 LYS HB- 65 VAL HN 5.50 (# 655:10 Unique 5.08, 5.32 A)
&rst
ixpk= 655, nxpk= 10, iat= -1,1005, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 975, 976,
&end
#
# 0 AMB 10-2:656 65 VAL HN 5.50 (# 656:10 Single Ambig)
&rst
ixpk= 656, nxpk= 10, iat= -1,1005, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 978, 979, 954, 955,
&end
#
# 60 LEU MDY 65 VAL HN 4.20 (# 657:10 Unique 4.29, 7.14 A)
&rst
ixpk= 657, nxpk= 10, iat= -1,1005, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1= 926, 927, 928, 930, 931, 932,
&end
#
# 65 VAL MGX 65 VAL HN 2.80 (# 658:10 Unique 2.34, 4.15 A)
&rst
ixpk= 658, nxpk= 10, iat= -1,1005, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1011,1012,1013,1015,1016,1017,
&end
#
# 0 AMB 10-2:659 66 ARG HN 3.50 (# 659:10 Single Ambig)
&rst
ixpk= 659, nxpk= 10, iat= -1,1021, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
igr1=1745,1746,1747,1749,1750,1751,1073,1074,1075,1077,
1078,1079, 227, 228, 229,
&end
#
# 0 AMB 10-2:660 66 ARG HN 2.80 (# 660:10 Single Ambig)
&rst
ixpk= 660, nxpk= 10, iat= -1,1021, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1011,1012,1013,1015,1016,1017,1011,1012,1013,1015,
1016,1017,
&end
#
# 102 LEU HG 66 ARG HN 5.50 (# 661:10 Unique 4.30, 5.50 A)
&rst
ixpk= 661, nxpk= 10, iat=1691,1021, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:662 66 ARG HN 2.80 (# 662:10 Single Ambig)
&rst
ixpk= 662, nxpk= 10, iat= -1,1021, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1025,1026,1025,1026,
&end
#
# 65 VAL HB 66 ARG HN 3.50 (# 664:10 Unique 3.27, 3.98 A)
&rst
ixpk= 664, nxpk= 10, iat=1009,1021, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 104 LEU HA 66 ARG HN 5.50 (# 665:10 Unique 3.92, 4.27 A)
&rst
ixpk= 665, nxpk= 10, iat=1722,1021, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 ARG HA 66 ARG HN 4.20 (# 666:10 Unique 2.92, 2.93 A)
&rst
ixpk= 666, nxpk= 10, iat=1023,1021, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 65 VAL HA 66 ARG HN 3.50 (# 667:10 Unique 2.17, 2.27 A)
&rst
ixpk= 667, nxpk= 10, iat=1007,1021, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 65 VAL HN 66 ARG HN 5.50 (# 668:10 Unique 4.22, 4.34 A)
&rst
ixpk= 668, nxpk= 10, iat=1005,1021, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 105 VAL HN 66 ARG HN 5.50 (# 669:10 Unique 4.14, 4.48 A)
&rst
ixpk= 669, nxpk= 10, iat=1739,1021, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:670 66 ARG HN 3.50 (# 670:10 Single Ambig)
&rst
ixpk= 670, nxpk= 10, iat= -1,1021, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1703,1045,
&end
#
# 68 LEU HN 67 ILE HN 5.50 (# 671:10 Unique 4.30, 4.50 A)
&rst
ixpk= 671, nxpk= 10, iat=1064,1045, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 ARG HN 67 ILE HN 5.50 (# 672:10 Unique 4.32, 4.35 A)
&rst
ixpk= 672, nxpk= 10, iat=1021,1045, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 ARG HA 67 ILE HN 2.80 (# 673:10 Unique 2.19, 2.21 A)
&rst
ixpk= 673, nxpk= 10, iat=1023,1045, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 67 ILE HA 67 ILE HN 4.20 (# 674:10 Unique 2.84, 2.88 A)
&rst
ixpk= 674, nxpk= 10, iat=1047,1045, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 66 ARG HD+ 67 ILE HN 5.50 (# 675:10 Unique 5.07, 5.46 A)
&rst
ixpk= 675, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1031,1032,
&end
#
# 67 ILE HB 67 ILE HN 2.80 (# 676:10 Unique 2.49, 2.57 A)
&rst
ixpk= 676, nxpk= 10, iat=1049,1045, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:677 67 ILE HN 2.80 (# 677:10 Single Ambig)
&rst
ixpk= 677, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1055,1056,1025,1026,
&end
#
# 67 ILE QG2 67 ILE HN 4.20 (# 678:10 Unique 4.37, 4.55 A)
&rst
ixpk= 678, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1051,1052,1053,
&end
#
# 0 AMB 10-2:679 67 ILE HN 3.50 (# 679:10 Single Ambig)
&rst
ixpk= 679, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1693,1694,1695,1697,1698,1699,1058,1059,1060,
&end
#
# 0 AMB 10-2:680 67 ILE HN 2.80 (# 680:10 Single Ambig)
&rst
ixpk= 680, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1055,1056,1693,1694,1695,1697,1698,1699,
&end
#
# 0 AMB 10-2:681 68 LEU HN 2.80 (# 681:10 Single Ambig)
&rst
ixpk= 681, nxpk= 10, iat= -1,1064, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1693,1694,1695,1697,1698,1699,1073,1074,1075,1077,
1078,1079,
&end
#
# 0 AMB 10-2:682 68 LEU HN 3.50 (# 682:10 Single Ambig)
&rst
ixpk= 682, nxpk= 10, iat= -1,1064, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1=1051,1052,1053,1073,1074,1075,1077,1078,1079,
&end
#
# 68 LEU HB- 68 LEU HN 3.50 (# 683:10 Unique 2.64, 3.23 A)
&rst
ixpk= 683, nxpk= 10, iat= -1,1064, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1068,1069,
&end
#
# 66 ARG HG+ 68 LEU HN 4.20 (# 684:10 Unique 3.75, 5.22 A)
&rst
ixpk= 684, nxpk= 10, iat= -1,1064, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1028,1029,
&end
#
# 67 ILE HB 68 LEU HN 5.50 (# 685:10 Unique 3.91, 4.12 A)
&rst
ixpk= 685, nxpk= 10, iat=1049,1064, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 67 ILE HA 68 LEU HN 3.50 (# 686:10 Unique 2.14, 2.16 A)
&rst
ixpk= 686, nxpk= 10, iat=1047,1064, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 LEU HA 68 LEU HN 4.20 (# 687:10 Unique 2.85, 2.93 A)
&rst
ixpk= 687, nxpk= 10, iat=1066,1064, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 102 LEU HA 68 LEU HN 5.50 (# 688:10 Unique 2.20, 2.48 A)
&rst
ixpk= 688, nxpk= 10, iat=1686,1064, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 69 ALA HN 68 LEU HN 3.50 (# 689:10 Unique 1.88, 2.10 A)
&rst
ixpk= 689, nxpk= 10, iat=1083,1064, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:690 68 LEU HN 5.50 (# 690:10 Single Ambig)
&rst
ixpk= 690, nxpk= 10, iat= -1,1064, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1703,1045,
&end
#
# 102 LEU HN 69 ALA HN 5.50 (# 691:10 Unique 5.04, 5.31 A)
&rst
ixpk= 691, nxpk= 10, iat=1684,1083, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 68 LEU HN 69 ALA HN 3.50 (# 692:10 Unique 1.88, 2.10 A)
&rst
ixpk= 692, nxpk= 10, iat=1064,1083, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:693 69 ALA HN 5.50 (# 693:10 Single Ambig)
&rst
ixpk= 693, nxpk= 10, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1045, 198,
&end
#
# 101 LEU HN 69 ALA HN 4.20 (# 694:10 Unique 3.31, 3.51 A)
&rst
ixpk= 694, nxpk= 10, iat=1665,1083, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 70 SER HN 69 ALA HN 4.20 (# 695:10 Unique 4.28, 4.32 A)
&rst
ixpk= 695, nxpk= 10, iat=1093,1083, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 100 PHE HD 69 ALA HN 5.50 (# 696:10 Unique 4.97, 6.75 A)
&rst
ixpk= 696, nxpk= 10, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1653,1661,
&end
#
# 151 PHE HD 69 ALA HN 5.50 (# 697:10 Unique 4.55, 6.59 A)
&rst
ixpk= 697, nxpk= 10, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2515,2523,
&end
#
# 102 LEU HA 69 ALA HN 5.50 (# 698:10 Unique 3.83, 4.14 A)
&rst
ixpk= 698, nxpk= 10, iat=1686,1083, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 69 ALA HA 69 ALA HN 3.50 (# 700:10 Unique 2.85, 2.89 A)
&rst
ixpk= 700, nxpk= 10, iat=1085,1083, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 68 LEU HA 69 ALA HN 4.20 (# 701:10 Unique 3.50, 3.52 A)
&rst
ixpk= 701, nxpk= 10, iat=1066,1083, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 67 ILE HA 69 ALA HN 4.20 (# 702:10 Unique 3.68, 3.84 A)
&rst
ixpk= 702, nxpk= 10, iat=1047,1083, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:703 69 ALA HN 5.50 (# 703:10 Single Ambig)
&rst
ixpk= 703, nxpk= 10, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1691,1028,1029,
&end
#
# 0 AMB 10-2:704 69 ALA HN 2.80 (# 704:10 Single Ambig)
&rst
ixpk= 704, nxpk= 10, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1=1068,1069,1087,1088,1089,
&end
#
# 67 ILE QG2 69 ALA HN 2.80 (# 705:10 Unique 2.50, 3.57 A)
&rst
ixpk= 705, nxpk= 10, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1051,1052,1053,
&end
#
# 68 LEU HG 69 ALA HN 5.50 (# 706:10 Unique 3.77, 3.95 A)
&rst
ixpk= 706, nxpk= 10, iat=1071,1083, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 101 LEU MDY 69 ALA HN 4.20 (# 707:10 Unique 2.36, 4.90 A)
&rst
ixpk= 707, nxpk= 10, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 0 AMB 10-2:709 70 SER HN 5.50 (# 709:10 Single Ambig)
&rst
ixpk= 709, nxpk= 10, iat= -1,1093, r1= 0.00, r2= 1.80, r3= 8.20, r4= 8.95,
igr1=1674,1675,1676,1678,1679,1680,1606,1607, 759, 760,
761,
&end
#
# 0 AMB 10-2:710 70 SER HN 5.50 (# 710:10 Single Ambig)
&rst
ixpk= 710, nxpk= 10, iat= -1,1093, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1=2554,2555,2556,2558,2559,2560,1058,1059,1060,1693,
1694,1695,1697,1698,1699,
&end
#
# 0 AMB 10-2:711 70 SER HN 4.20 (# 711:10 Single Ambig)
&rst
ixpk= 711, nxpk= 10, iat= -1,1093, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1669,1670,2554,2555,2556,2558,2559,2560,
&end
#
# 69 ALA MB 70 SER HN 2.80 (# 712:10 Unique 2.55, 3.56 A)
&rst
ixpk= 712, nxpk= 10, iat= -1,1093, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1087,1088,1089,
&end
#
# 70 SER HB- 70 SER HN 4.20 (# 714:10 Unique 2.69, 3.61 A)
&rst
ixpk= 714, nxpk= 10, iat= -1,1093, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1097,1098,
&end
#
# 70 SER HB+ 70 SER HN 5.50 (# 715:10 Unique 2.69, 3.61 A)
&rst
ixpk= 715, nxpk= 10, iat= -1,1093, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1097,1098,
&end
#
# 69 ALA HA 70 SER HN 2.80 (# 717:10 Unique 2.22, 2.26 A)
&rst
ixpk= 717, nxpk= 10, iat=1085,1093, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 70 SER HA 70 SER HN 3.50 (# 719:10 Unique 2.92, 2.92 A)
&rst
ixpk= 719, nxpk= 10, iat=1095,1093, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 151 PHE HD 70 SER HN 3.50 (# 721:10 Unique 3.80, 6.67 A)
&rst
ixpk= 721, nxpk= 10, iat= -1,1093, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2515,2523,
&end
#
# 69 ALA HN 70 SER HN 4.20 (# 722:10 Unique 4.28, 4.32 A)
&rst
ixpk= 722, nxpk= 10, iat=1083,1093, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 101 LEU HN 70 SER HN 5.50 (# 723:10 Unique 4.71, 4.87 A)
&rst
ixpk= 723, nxpk= 10, iat=1665,1093, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 71 THR HN 70 SER HN 5.50 (# 724:10 Unique 4.39, 4.40 A)
&rst
ixpk= 724, nxpk= 10, iat=1104,1093, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 72 ARG HN 71 THR HN 5.50 (# 726:10 Unique 4.47, 4.48 A)
&rst
ixpk= 726, nxpk= 10, iat=1118,1104, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 70 SER HN 71 THR HN 5.50 (# 727:10 Unique 4.39, 4.40 A)
&rst
ixpk= 727, nxpk= 10, iat=1093,1104, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 TRP HN 71 THR HN 5.50 (# 729:10 Unique 4.13, 4.34 A)
&rst
ixpk= 729, nxpk= 10, iat=1621,1104, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 151 PHE HD 71 THR HN 5.50 (# 730:10 Unique 5.09, 6.32 A)
&rst
ixpk= 730, nxpk= 10, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2515,2523,
&end
#
# 70 SER HA 71 THR HN 3.50 (# 731:10 Unique 2.32, 2.34 A)
&rst
ixpk= 731, nxpk= 10, iat=1095,1104, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 71 THR HB 71 THR HN 5.50 (# 733:10 Unique 3.65, 3.67 A)
&rst
ixpk= 733, nxpk= 10, iat=1108,1104, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 71 THR HA 71 THR HN 3.50 (# 734:10 Unique 2.90, 2.90 A)
&rst
ixpk= 734, nxpk= 10, iat=1106,1104, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 70 SER HB+ 71 THR HN 4.20 (# 735:10 Unique 2.59, 3.19 A)
&rst
ixpk= 735, nxpk= 10, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1097,1098,
&end
#
# 0 AMB 10-2:736 71 THR HN 3.50 (# 736:10 Single Ambig)
&rst
ixpk= 736, nxpk= 10, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1097,1098,1625,1626,
&end
#
# 99 TRP HB- 71 THR HN 5.50 (# 737:10 Unique 3.59, 4.56 A)
&rst
ixpk= 737, nxpk= 10, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1625,1626,
&end
#
# 0 AMB 10-2:738 71 THR HN 5.50 (# 738:10 Single Ambig)
&rst
ixpk= 738, nxpk= 10, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1087,1088,1089,1068,1069,
&end
#
# 0 AMB 10-2:739 71 THR HN 5.50 (# 739:10 Single Ambig)
&rst
ixpk= 739, nxpk= 10, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1=1189,1190,1191,1193,1194,1195,1051,1052,1053, 162,
163, 164, 166, 167, 168,
&end
#
# 71 THR MG2 71 THR HN 3.50 (# 740:10 Unique 2.02, 3.01 A)
&rst
ixpk= 740, nxpk= 10, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1110,1111,1112,
&end
#
# 0 AMB 10-2:741 71 THR HN 5.50 (# 741:10 Single Ambig)
&rst
ixpk= 741, nxpk= 10, iat= -1,1104, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
igr1=1609,1610,1693,1694,1695,1697,1698,1699, 162, 163,
164, 166, 167, 168,
&end
#
# 71 THR MG2 72 ARG HN 3.50 (# 743:10 Unique 4.37, 5.13 A)
&rst
ixpk= 743, nxpk= 10, iat= -1,1118, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1110,1111,1112,
&end
#
# 72 ARG HG- 72 ARG HN 2.80 (# 744:10 Unique 1.99, 2.95 A)
&rst
ixpk= 744, nxpk= 10, iat= -1,1118, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1125,1126,
&end
#
# 72 ARG HB+ 72 ARG HN 2.80 (# 745:10 Unique 2.14, 3.05 A)
&rst
ixpk= 745, nxpk= 10, iat= -1,1118, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1122,1123,
&end
#
# 72 ARG HD+ 72 ARG HN 5.50 (# 746:10 Unique 3.78, 4.47 A)
&rst
ixpk= 746, nxpk= 10, iat= -1,1118, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1128,1129,
&end
#
# 72 ARG HA 72 ARG HN 3.50 (# 747:10 Unique 2.84, 2.89 A)
&rst
ixpk= 747, nxpk= 10, iat=1120,1118, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 71 THR HA 72 ARG HN 2.80 (# 748:10 Unique 2.14, 2.15 A)
&rst
ixpk= 748, nxpk= 10, iat=1106,1118, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 71 THR HB 72 ARG HN 4.20 (# 749:10 Unique 3.33, 3.37 A)
&rst
ixpk= 749, nxpk= 10, iat=1108,1118, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 73 ASN HA 72 ARG HN 5.50 (# 751:10 Unique 4.90, 5.03 A)
&rst
ixpk= 751, nxpk= 10, iat=1144,1118, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 73 ASN HN 72 ARG HN 3.50 (# 752:10 Unique 2.24, 2.36 A)
&rst
ixpk= 752, nxpk= 10, iat=1142,1118, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 71 THR HN 72 ARG HN 5.50 (# 753:10 Unique 4.47, 4.48 A)
&rst
ixpk= 753, nxpk= 10, iat=1104,1118, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 72 ARG HN 73 ASN HN 3.50 (# 754:10 Unique 2.24, 2.36 A)
&rst
ixpk= 754, nxpk= 10, iat=1118,1142, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 73 ASN HD2+ 73 ASN HN 5.50 (# 755:10 Unique 2.18, 3.13 A)
&rst
ixpk= 755, nxpk= 10, iat= -1,1142, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1151,1152,
&end
#
# 73 ASN HA 73 ASN HN 2.80 (# 756:10 Unique 2.93, 2.94 A)
&rst
ixpk= 756, nxpk= 10, iat=1144,1142, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 71 THR HB 73 ASN HN 4.20 (# 758:10 Unique 2.77, 3.01 A)
&rst
ixpk= 758, nxpk= 10, iat=1108,1142, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 71 THR HA 73 ASN HN 4.20 (# 759:10 Unique 3.48, 3.57 A)
&rst
ixpk= 759, nxpk= 10, iat=1106,1142, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 72 ARG HA 73 ASN HN 3.50 (# 760:10 Unique 3.32, 3.41 A)
&rst
ixpk= 760, nxpk= 10, iat=1120,1142, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 72 ARG HD+ 73 ASN HN 5.50 (# 761:10 Unique 4.99, 5.82 A)
&rst
ixpk= 761, nxpk= 10, iat= -1,1142, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1128,1129,
&end
#
# 73 ASN HB+ 73 ASN HN 3.50 (# 762:10 Unique 2.27, 3.14 A)
&rst
ixpk= 762, nxpk= 10, iat= -1,1142, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1146,1147,
&end
#
# 73 ASN HB- 73 ASN HN 2.80 (# 763:10 Unique 2.27, 3.14 A)
&rst
ixpk= 763, nxpk= 10, iat= -1,1142, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1146,1147,
&end
#
# 72 ARG HG- 73 ASN HN 4.20 (# 764:10 Unique 3.10, 4.58 A)
&rst
ixpk= 764, nxpk= 10, iat= -1,1142, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1125,1126,
&end
#
# 72 ARG HB+ 73 ASN HN 2.80 (# 765:10 Unique 2.88, 3.66 A)
&rst
ixpk= 765, nxpk= 10, iat= -1,1142, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1122,1123,
&end
#
# 71 THR MG2 73 ASN HN 4.20 (# 766:10 Unique 4.92, 5.47 A)
&rst
ixpk= 766, nxpk= 10, iat= -1,1142, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1110,1111,1112,
&end
#
# 0 AMB 10-2:767 74 TRP HN 5.50 (# 767:10 Single Ambig)
&rst
ixpk= 767, nxpk= 10, iat= -1,1156, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1189,1190,1191,1193,1194,1195,1206,1207,
&end
#
# 0 AMB 10-2:768 74 TRP HN 2.80 (# 768:10 Single Ambig)
&rst
ixpk= 768, nxpk= 10, iat= -1,1156, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1160,1161,1146,1147,
&end
#
# 73 ASN HB- 74 TRP HN 2.81 (# 769:10 Unique 3.06, 3.89 A)
&rst
ixpk= 769, nxpk= 10, iat= -1,1156, r1= 0.00, r2= 1.80, r3= 3.15, r4= 3.90,
igr1=1146,1147,
&end
#
# 74 TRP HA 74 TRP HN 4.20 (# 770:10 Unique 2.75, 2.84 A)
&rst
ixpk= 770, nxpk= 10, iat=1158,1156, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 73 ASN HA 74 TRP HN 2.85 (# 772:10 Unique 2.14, 2.17 A)
&rst
ixpk= 772, nxpk= 10, iat=1144,1156, r1= 0.00, r2= 1.80, r3= 2.85, r4= 3.60, &end
#
# 74 TRP HD1 74 TRP HN 4.20 (# 773:10 Unique 1.92, 2.10 A)
&rst
ixpk= 773, nxpk= 10, iat=1164,1156, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 75 LEU HN 74 TRP HN 5.50 (# 775:10 Unique 4.23, 4.38 A)
&rst
ixpk= 775, nxpk= 10, iat=1180,1156, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 74 TRP HE1 74 TRP HN 5.50 (# 776:10 Unique 4.22, 4.38 A)
&rst
ixpk= 776, nxpk= 10, iat=1166,1156, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 97 GLN HN 75 LEU HN 5.50 (# 777:10 Unique 4.05, 4.70 A)
&rst
ixpk= 777, nxpk= 10, iat=1582,1180, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 76 ARG HN 75 LEU HN 5.50 (# 778:10 Unique 2.76, 3.51 A)
&rst
ixpk= 778, nxpk= 10, iat=1199,1180, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:779 75 LEU HN 5.50 (# 779:10 Single Ambig)
&rst
ixpk= 779, nxpk= 10, iat= -1,1180, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1156,1142,
&end
#
# 74 TRP HA 75 LEU HN 2.80 (# 782:10 Unique 2.14, 2.17 A)
&rst
ixpk= 782, nxpk= 10, iat=1158,1180, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 74 TRP HB- 75 LEU HN 5.50 (# 783:10 Unique 2.97, 3.97 A)
&rst
ixpk= 783, nxpk= 10, iat= -1,1180, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1160,1161,
&end
#
# 0 AMB 10-2:784 75 LEU HN 4.20 (# 784:10 Single Ambig)
&rst
ixpk= 784, nxpk= 10, iat= -1,1180, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1=1160,1161,1146,1147,
&end
#
# 97 GLN HB+ 75 LEU HN 5.50 (# 785:10 Unique 3.73, 4.72 A)
&rst
ixpk= 785, nxpk= 10, iat= -1,1180, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1586,1587,
&end
#
# 75 LEU HB- 75 LEU HN 3.50 (# 786:10 Unique 2.47, 3.16 A)
&rst
ixpk= 786, nxpk= 10, iat= -1,1180, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1184,1185,
&end
#
# 75 LEU HG 75 LEU HN 2.80 (# 787:10 Unique 1.93, 2.20 A)
&rst
ixpk= 787, nxpk= 10, iat=1187,1180, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:788 75 LEU HN 3.50 (# 788:10 Single Ambig)
&rst
ixpk= 788, nxpk= 10, iat= -1,1180, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1189,1190,1191,1193,1194,1195,1189,1190,1191,1193,
1194,1195,
&end
#
# 98 LYS HG+ 75 LEU HN 5.50 (# 789:10 Unique 6.30, 7.96 A)
&rst
ixpk= 789, nxpk= 10, iat= -1,1180, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1606,1607,
&end
#
# 75 LEU MDY 76 ARG HN 5.50 (# 790:10 Unique 4.43, 6.14 A)
&rst
ixpk= 790, nxpk= 10, iat= -1,1199, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1189,1190,1191,1193,1194,1195,
&end
#
# 76 ARG HB- 76 ARG HN 2.80 (# 791:10 Unique 2.25, 3.24 A)
&rst
ixpk= 791, nxpk= 10, iat= -1,1199, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1203,1204,
&end
#
# 76 ARG HB+ 76 ARG HN 3.50 (# 792:10 Unique 2.25, 3.24 A)
&rst
ixpk= 792, nxpk= 10, iat= -1,1199, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1203,1204,
&end
#
# 0 AMB 10-2:793 76 ARG HN 4.20 (# 793:10 Single Ambig)
&rst
ixpk= 793, nxpk= 10, iat= -1,1199, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1=1184,1185,1254,1255,
&end
#
# 0 AMB 10-2:794 76 ARG HN 5.50 (# 794:10 Single Ambig)
&rst
ixpk= 794, nxpk= 10, iat= -1,1199, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1586,1587,1187,
&end
#
# 0 AMB 10-2:795 76 ARG HN 5.50 (# 795:10 Single Ambig)
&rst
ixpk= 795, nxpk= 10, iat= -1,1199, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1209,1210,1586,1587,
&end
#
# 76 ARG HD+ 76 ARG HN 5.50 (# 796:10 Unique 3.55, 4.36 A)
&rst
ixpk= 796, nxpk= 10, iat= -1,1199, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1209,1210,
&end
#
# 76 ARG HA 76 ARG HN 4.20 (# 797:10 Unique 2.91, 2.94 A)
&rst
ixpk= 797, nxpk= 10, iat=1201,1199, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 75 LEU HN 76 ARG HN 5.50 (# 798:10 Unique 2.76, 3.51 A)
&rst
ixpk= 798, nxpk= 10, iat=1180,1199, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 95 GLN HN 77 TYR HN 4.20 (# 799:10 Unique 3.48, 4.83 A)
&rst
ixpk= 799, nxpk= 10, iat=1543,1223, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 100 PHE HD 100 PHE HN 3.50 (# 801:10 Unique 3.10, 4.55 A)
&rst
ixpk= 801, nxpk= 10, iat= -1,1645, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1653,1661,
&end
#
# 100 PHE HD 100 PHE HN 2.80 (# 802:10 Unique 3.10, 4.55 A)
&rst
ixpk= 802, nxpk= 10, iat= -1,1645, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1653,1661,
&end
#
# 151 PHE HD 100 PHE HN 5.50 (# 804:10 Unique 5.58, 6.38 A)
&rst
ixpk= 804, nxpk= 10, iat= -1,1645, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2515,2523,
&end
#
# 77 TYR HD 77 TYR HN 5.50 (# 805:10 Unique 2.68, 3.61 A)
&rst
ixpk= 805, nxpk= 10, iat= -1,1223, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1231,1240,
&end
#
# 96 LYS HA 77 TYR HN 5.50 (# 806:10 Unique 3.57, 5.02 A)
&rst
ixpk= 806, nxpk= 10, iat=1562,1223, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 LYS HA 77 TYR HN 5.50 (# 807:10 Unique 3.57, 5.02 A)
&rst
ixpk= 807, nxpk= 10, iat=1562,1223, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 TRP HA 100 PHE HN 2.80 (# 808:10 Unique 2.14, 2.19 A)
&rst
ixpk= 808, nxpk= 10, iat=1623,1645, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 76 ARG HA 77 TYR HN 2.80 (# 809:10 Unique 2.16, 2.28 A)
&rst
ixpk= 809, nxpk= 10, iat=1201,1223, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 101 LEU HA 100 PHE HN 5.50 (# 810:10 Unique 4.65, 4.73 A)
&rst
ixpk= 810, nxpk= 10, iat=1667,1645, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 TYR HA 77 TYR HN 5.50 (# 811:10 Unique 2.89, 2.94 A)
&rst
ixpk= 811, nxpk= 10, iat=1225,1223, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 TYR HA 77 TYR HN 5.50 (# 812:10 Unique 2.89, 2.94 A)
&rst
ixpk= 812, nxpk= 10, iat=1225,1223, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 TYR HB+ 77 TYR HN 4.20 (# 816:10 Unique 2.38, 3.45 A)
&rst
ixpk= 816, nxpk= 10, iat= -1,1223, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1227,1228,
&end
#
# 76 ARG HD+ 77 TYR HN 5.50 (# 817:10 Unique 1.88, 4.11 A)
&rst
ixpk= 817, nxpk= 10, iat= -1,1223, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1209,1210,
&end
#
# 99 TRP HB- 100 PHE HN 5.50 (# 818:10 Unique 2.87, 3.57 A)
&rst
ixpk= 818, nxpk= 10, iat= -1,1645, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1625,1626,
&end
#
# 99 TRP HB+ 100 PHE HN 5.50 (# 819:10 Unique 2.87, 3.57 A)
&rst
ixpk= 819, nxpk= 10, iat= -1,1645, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1625,1626,
&end
#
# 100 PHE HB+ 100 PHE HN 4.20 (# 820:10 Unique 2.56, 3.13 A)
&rst
ixpk= 820, nxpk= 10, iat= -1,1645, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1649,1650,
&end
#
# 76 ARG HD- 77 TYR HN 5.50 (# 821:10 Unique 1.88, 4.11 A)
&rst
ixpk= 821, nxpk= 10, iat= -1,1223, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1209,1210,
&end
#
# 76 ARG HB+ 77 TYR HN 4.20 (# 822:10 Unique 2.65, 3.41 A)
&rst
ixpk= 822, nxpk= 10, iat= -1,1223, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1203,1204,
&end
#
# 76 ARG HB- 77 TYR HN 5.50 (# 824:10 Unique 2.65, 3.41 A)
&rst
ixpk= 824, nxpk= 10, iat= -1,1223, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1203,1204,
&end
#
# 76 ARG HB- 77 TYR HN 3.50 (# 825:10 Unique 2.65, 3.41 A)
&rst
ixpk= 825, nxpk= 10, iat= -1,1223, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1203,1204,
&end
#
# 0 AMB 10-2:826 77 TYR HN 5.50 (# 826:10 Single Ambig)
&rst
ixpk= 826, nxpk= 10, iat= -1,1223, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1251,1252,1547,1548,2304,2305,
&end
#
# 76 ARG HG- 77 TYR HN 5.50 (# 827:10 Unique 2.36, 4.60 A)
&rst
ixpk= 827, nxpk= 10, iat= -1,1223, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1206,1207,
&end
#
# 143 VAL MGY 77 TYR HN 5.50 (# 828:10 Unique 5.49, 7.51 A)
&rst
ixpk= 828, nxpk= 10, iat= -1,1223, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2358,2359,2360,2362,2363,2364,
&end
#
# 0 AMB 10-2:829 100 PHE HN 5.50 (# 829:10 Single Ambig)
&rst
ixpk= 829, nxpk= 10, iat= -1,1645, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
igr1= 162, 163, 164, 166, 167, 168,1051,1052,1053,1189,
1190,1191,1193,1194,1195,
&end
#
# 71 THR MG2 100 PHE HN 5.50 (# 830:10 Unique 4.93, 6.08 A)
&rst
ixpk= 830, nxpk= 10, iat= -1,1645, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1110,1111,1112,
&end
#
# 0 AMB 10-2:831 100 PHE HN 4.20 (# 831:10 Single Ambig)
&rst
ixpk= 831, nxpk= 10, iat= -1,1645, r1= 0.00, r2= 1.80, r3= 7.03, r4= 7.78,
igr1= 162, 163, 164, 166, 167, 168, 185, 186, 187, 227,
228, 229,1609,1610, 224, 225, 834, 835, 836, 838,
839, 840,
&end
#
# 0 AMB 10-2:832 100 PHE HN 5.50 (# 832:10 Single Ambig)
&rst
ixpk= 832, nxpk= 10, iat= -1,1645, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 204, 205, 206, 208, 209, 210,1606,1607,
&end
#
# 78 LYS HG- 78 LYS HN 4.20 (# 833:10 Unique 2.08, 3.45 A)
&rst
ixpk= 833, nxpk= 10, iat= -1,1244, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1251,1252,
&end
#
# 78 LYS HG+ 78 LYS HN 4.20 (# 834:10 Unique 2.08, 3.45 A)
&rst
ixpk= 834, nxpk= 10, iat= -1,1244, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1251,1252,
&end
#
# 0 AMB 10-2:835 78 LYS HN 2.80 (# 835:10 Single Ambig)
&rst
ixpk= 835, nxpk= 10, iat= -1,1244, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1254,1255,1248,1249,
&end
#
# 78 LYS HB+ 78 LYS HN 3.50 (# 836:10 Unique 2.56, 3.17 A)
&rst
ixpk= 836, nxpk= 10, iat= -1,1244, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1248,1249,
&end
#
# 0 AMB 10-2:837 78 LYS HN 2.80 (# 837:10 Single Ambig)
&rst
ixpk= 837, nxpk= 10, iat= -1,1244, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1227,1228,1227,1228,
&end
#
# 78 LYS HA 78 LYS HN 4.20 (# 838:10 Unique 2.90, 2.93 A)
&rst
ixpk= 838, nxpk= 10, iat=1246,1244, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 77 TYR HA 78 LYS HN 2.80 (# 839:10 Unique 2.14, 2.27 A)
&rst
ixpk= 839, nxpk= 10, iat=1225,1244, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:841 79 LEU HN 5.50 (# 841:10 Single Ambig)
&rst
ixpk= 841, nxpk= 10, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1543,1299,
&end
#
# 0 AMB 10-2:842 79 LEU HN 5.50 (# 842:10 Single Ambig)
&rst
ixpk= 842, nxpk= 10, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1244,1223,
&end
#
# 94 GLY HN 79 LEU HN 5.50 (# 843:10 Unique 5.47, 5.52 A)
&rst
ixpk= 843, nxpk= 10, iat=1536,1266, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 77 TYR HD 79 LEU HN 5.50 (# 844:10 Unique 3.80, 6.24 A)
&rst
ixpk= 844, nxpk= 10, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1231,1240,
&end
#
# 78 LYS HA 79 LEU HN 2.80 (# 845:10 Unique 2.14, 2.22 A)
&rst
ixpk= 845, nxpk= 10, iat=1246,1266, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:846 79 LEU HN 2.80 (# 846:10 Single Ambig)
&rst
ixpk= 846, nxpk= 10, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1268,1538,1539,
&end
#
# 77 TYR HB- 79 LEU HN 5.50 (# 848:10 Unique 5.13, 6.54 A)
&rst
ixpk= 848, nxpk= 10, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1227,1228,
&end
#
# 80 PRO HD+ 79 LEU HN 5.50 (# 849:10 Unique 4.81, 4.91 A)
&rst
ixpk= 849, nxpk= 10, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1286,1287,
&end
#
# 78 LYS HB+ 79 LEU HN 4.20 (# 850:10 Unique 2.82, 3.45 A)
&rst
ixpk= 850, nxpk= 10, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1248,1249,
&end
#
# 0 AMB 10-2:851 79 LEU HN 3.50 (# 851:10 Single Ambig)
&rst
ixpk= 851, nxpk= 10, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1248,1249,1254,1255,
&end
#
# 0 AMB 10-2:852 79 LEU HN 3.50 (# 852:10 Single Ambig)
&rst
ixpk= 852, nxpk= 10, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1251,1252,1352,
&end
#
# 79 LEU HG 79 LEU HN 2.80 (# 853:10 Unique 1.90, 1.98 A)
&rst
ixpk= 853, nxpk= 10, iat=1273,1266, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 79 LEU HB+ 79 LEU HN 2.80 (# 854:10 Unique 3.10, 3.39 A)
&rst
ixpk= 854, nxpk= 10, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1270,1271,
&end
#
# 79 LEU MDY 79 LEU HN 2.80 (# 855:10 Unique 1.94, 3.65 A)
&rst
ixpk= 855, nxpk= 10, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1275,1276,1277,1279,1280,1281,
&end
#
# 79 LEU MDX 79 LEU HN 2.80 (# 856:10 Unique 1.94, 3.65 A)
&rst
ixpk= 856, nxpk= 10, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1275,1276,1277,1279,1280,1281,
&end
#
# 84 VAL MGY 81 LYS HN 5.50 (# 857:10 Unique 3.56, 6.08 A)
&rst
ixpk= 857, nxpk= 10, iat= -1,1299, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1370,1371,1372,1374,1375,1376,
&end
#
# 0 AMB 10-2:858 81 LYS HN 3.50 (# 858:10 Single Ambig)
&rst
ixpk= 858, nxpk= 10, iat= -1,1299, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1306,1307,1328,1329,
&end
#
# 0 AMB 10-2:859 81 LYS HN 2.80 (# 859:10 Single Ambig)
&rst
ixpk= 859, nxpk= 10, iat= -1,1299, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1303,1304,1303,1304,
&end
#
# 0 AMB 10-2:860 81 LYS HN 2.80 (# 860:10 Single Ambig)
&rst
ixpk= 860, nxpk= 10, iat= -1,1299, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1306,1307,1292,1293,
&end
#
# 81 LYS HD+ 81 LYS HN 4.20 (# 861:10 Unique 1.88, 3.14 A)
&rst
ixpk= 861, nxpk= 10, iat= -1,1299, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1309,1310,
&end
#
# 80 PRO HB+ 81 LYS HN 3.50 (# 862:10 Unique 2.38, 3.04 A)
&rst
ixpk= 862, nxpk= 10, iat= -1,1299, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1292,1293,
&end
#
# 81 LYS HE+ 81 LYS HN 5.50 (# 863:10 Unique 1.94, 4.13 A)
&rst
ixpk= 863, nxpk= 10, iat= -1,1299, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1312,1313,
&end
#
# 81 LYS HA 81 LYS HN 2.80 (# 864:10 Unique 2.76, 2.81 A)
&rst
ixpk= 864, nxpk= 10, iat=1301,1299, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 80 PRO HA 81 LYS HN 2.80 (# 865:10 Unique 2.33, 2.40 A)
&rst
ixpk= 865, nxpk= 10, iat=1295,1299, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 83 LEU HN 81 LYS HN 5.50 (# 867:10 Unique 4.04, 4.18 A)
&rst
ixpk= 867, nxpk= 10, iat=1345,1299, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 LEU HN 82 ARG HN 3.50 (# 868:10 Unique 2.47, 2.66 A)
&rst
ixpk= 868, nxpk= 10, iat=1345,1321, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 84 VAL HN 82 ARG HN 5.50 (# 869:10 Unique 3.81, 3.91 A)
&rst
ixpk= 869, nxpk= 10, iat=1364,1321, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 82 ARG HA 82 ARG HN 2.80 (# 871:10 Unique 2.77, 2.80 A)
&rst
ixpk= 871, nxpk= 10, iat=1323,1321, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 81 LYS HA 82 ARG HN 4.20 (# 873:10 Unique 3.41, 3.47 A)
&rst
ixpk= 873, nxpk= 10, iat=1301,1321, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 82 ARG HD+ 82 ARG HN 4.20 (# 874:10 Unique 4.14, 4.43 A)
&rst
ixpk= 874, nxpk= 10, iat= -1,1321, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1331,1332,
&end
#
# 80 PRO HB+ 82 ARG HN 5.50 (# 875:10 Unique 2.18, 3.19 A)
&rst
ixpk= 875, nxpk= 10, iat= -1,1321, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1292,1293,
&end
#
# 0 AMB 10-2:876 82 ARG HN 2.80 (# 876:10 Single Ambig)
&rst
ixpk= 876, nxpk= 10, iat= -1,1321, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1325,1326,1303,1304,1303,1304,
&end
#
# 0 AMB 10-2:877 82 ARG HN 2.80 (# 877:10 Single Ambig)
&rst
ixpk= 877, nxpk= 10, iat= -1,1321, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1309,1310,1325,1326,
&end
#
# 0 AMB 10-2:878 82 ARG HN 2.80 (# 878:10 Single Ambig)
&rst
ixpk= 878, nxpk= 10, iat= -1,1321, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1328,1329,1306,1307,
&end
#
# 0 AMB 10-2:879 82 ARG HN 4.20 (# 879:10 Single Ambig)
&rst
ixpk= 879, nxpk= 10, iat= -1,1321, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=1354,1355,1356,1358,1359,1360,1354,1355,1356,1358,
1359,1360,
&end
#
# 84 VAL MGX 83 LEU HN 5.50 (# 881:10 Unique 3.47, 5.29 A)
&rst
ixpk= 881, nxpk= 10, iat= -1,1345, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1370,1371,1372,1374,1375,1376,
&end
#
# 0 AMB 10-2:883 83 LEU HN 2.80 (# 883:10 Single Ambig)
&rst
ixpk= 883, nxpk= 10, iat= -1,1345, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1354,1355,1356,1358,1359,1360,1354,1355,1356,1358,
1359,1360,
&end
#
# 79 LEU MDX 83 LEU HN 5.50 (# 884:10 Unique 4.33, 6.19 A)
&rst
ixpk= 884, nxpk= 10, iat= -1,1345, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1275,1276,1277,1279,1280,1281,
&end
#
# 0 AMB 10-2:885 83 LEU HN 2.80 (# 885:10 Single Ambig)
&rst
ixpk= 885, nxpk= 10, iat= -1,1345, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1328,1329,1349,1350,
&end
#
# 83 LEU HB+ 83 LEU HN 2.80 (# 886:10 Unique 2.26, 3.18 A)
&rst
ixpk= 886, nxpk= 10, iat= -1,1345, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1349,1350,
&end
#
# 0 AMB 10-2:887 83 LEU HN 3.50 (# 887:10 Single Ambig)
&rst
ixpk= 887, nxpk= 10, iat= -1,1345, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1325,1326,1303,1304,
&end
#
# 80 PRO HB+ 83 LEU HN 5.50 (# 888:10 Unique 3.37, 4.45 A)
&rst
ixpk= 888, nxpk= 10, iat= -1,1345, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1292,1293,
&end
#
# 82 ARG HD+ 83 LEU HN 5.50 (# 890:10 Unique 4.12, 4.65 A)
&rst
ixpk= 890, nxpk= 10, iat= -1,1345, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1331,1332,
&end
#
# 84 VAL HA 83 LEU HN 5.50 (# 891:10 Unique 4.59, 4.68 A)
&rst
ixpk= 891, nxpk= 10, iat=1366,1345, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 81 LYS HA 83 LEU HN 5.50 (# 892:10 Unique 3.43, 3.55 A)
&rst
ixpk= 892, nxpk= 10, iat=1301,1345, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 82 ARG HA 83 LEU HN 3.50 (# 894:10 Unique 3.30, 3.41 A)
&rst
ixpk= 894, nxpk= 10, iat=1323,1345, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:895 83 LEU HN 2.80 (# 895:10 Single Ambig)
&rst
ixpk= 895, nxpk= 10, iat= -1,1345, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1347,1295,
&end
#
# 84 VAL HN 83 LEU HN 2.80 (# 896:10 Unique 1.88, 1.99 A)
&rst
ixpk= 896, nxpk= 10, iat=1364,1345, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 82 ARG HN 83 LEU HN 3.50 (# 897:10 Unique 2.47, 2.66 A)
&rst
ixpk= 897, nxpk= 10, iat=1321,1345, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 86 TRP HE1 84 VAL HN 5.50 (# 898:10 Unique 4.28, 4.59 A)
&rst
ixpk= 898, nxpk= 10, iat=1414,1364, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 82 ARG HN 84 VAL HN 5.50 (# 899:10 Unique 3.81, 3.91 A)
&rst
ixpk= 899, nxpk= 10, iat=1321,1364, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 85 ARG HN 84 VAL HN 5.50 (# 900:10 Unique 4.34, 4.44 A)
&rst
ixpk= 900, nxpk= 10, iat=1380,1364, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 83 LEU HN 84 VAL HN 2.80 (# 901:10 Unique 1.88, 1.99 A)
&rst
ixpk= 901, nxpk= 10, iat=1345,1364, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 82 ARG HA 84 VAL HN 4.20 (# 902:10 Unique 3.84, 4.21 A)
&rst
ixpk= 902, nxpk= 10, iat=1323,1364, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 83 LEU HA 84 VAL HN 3.50 (# 903:10 Unique 3.27, 3.37 A)
&rst
ixpk= 903, nxpk= 10, iat=1347,1364, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 81 LYS HA 84 VAL HN 4.20 (# 904:10 Unique 2.70, 2.83 A)
&rst
ixpk= 904, nxpk= 10, iat=1301,1364, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 84 VAL HA 84 VAL HN 3.50 (# 905:10 Unique 2.90, 2.92 A)
&rst
ixpk= 905, nxpk= 10, iat=1366,1364, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 80 PRO HD+ 84 VAL HN 5.50 (# 906:10 Unique 5.30, 6.23 A)
&rst
ixpk= 906, nxpk= 10, iat= -1,1364, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1286,1287,
&end
#
# 0 AMB 10-2:907 84 VAL HN 5.50 (# 907:10 Single Ambig)
&rst
ixpk= 907, nxpk= 10, iat= -1,1364, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1303,1304,1325,1326,
&end
#
# 0 AMB 10-2:908 84 VAL HN 2.80 (# 908:10 Single Ambig)
&rst
ixpk= 908, nxpk= 10, iat= -1,1364, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1368,1328,1329,
&end
#
# 84 VAL MGY 84 VAL HN 2.80 (# 909:10 Unique 2.35, 3.83 A)
&rst
ixpk= 909, nxpk= 10, iat= -1,1364, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1370,1371,1372,1374,1375,1376,
&end
#
# 84 VAL MGX 84 VAL HN 3.50 (# 910:10 Unique 2.35, 3.83 A)
&rst
ixpk= 910, nxpk= 10, iat= -1,1364, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1370,1371,1372,1374,1375,1376,
&end
#
# 84 VAL MGX 85 ARG HN 2.80 (# 913:10 Unique 2.19, 4.35 A)
&rst
ixpk= 913, nxpk= 10, iat= -1,1380, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1370,1371,1372,1374,1375,1376,
&end
#
# 91 VAL MGX 85 ARG HN 5.50 (# 914:10 Unique 2.23, 3.98 A)
&rst
ixpk= 914, nxpk= 10, iat= -1,1380, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1496,1497,1498,1500,1501,1502,
&end
#
# 0 AMB 10-2:915 0 AMB 10-1:915 2.80 (# 915:10 Double Ambig)
&rst
ixpk= 915, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
igr1=1370,1371,1372,1374,1375,1376, 34, 35, 36,
igr2=1380,1506,
&end
#
# 91 VAL MGY 85 ARG HN 5.50 (# 916:10 Unique 2.23, 3.98 A)
&rst
ixpk= 916, nxpk= 10, iat= -1,1380, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1496,1497,1498,1500,1501,1502,
&end
#
# 85 ARG HG- 85 ARG HN 3.50 (# 917:10 Unique 2.99, 3.68 A)
&rst
ixpk= 917, nxpk= 10, iat= -1,1380, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1387,1388,
&end
#
# 0 AMB 10-2:918 85 ARG HN 2.80 (# 918:10 Single Ambig)
&rst
ixpk= 918, nxpk= 10, iat= -1,1380, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1384,1385,1387,1388,
&end
#
# 85 ARG HB+ 85 ARG HN 3.50 (# 919:10 Unique 2.24, 2.94 A)
&rst
ixpk= 919, nxpk= 10, iat= -1,1380, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1384,1385,
&end
#
# 92 CYS HB- 92 CYS HN 5.50 (# 920:10 Unique 2.70, 3.23 A)
&rst
ixpk= 920, nxpk= 10, iat= -1,1506, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1510,1511,
&end
#
# 85 ARG HD+ 85 ARG HN 5.50 (# 921:10 Unique 4.40, 4.83 A)
&rst
ixpk= 921, nxpk= 10, iat= -1,1380, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1390,1391,
&end
#
# 84 VAL HA 85 ARG HN 2.80 (# 922:10 Unique 2.14, 2.16 A)
&rst
ixpk= 922, nxpk= 10, iat=1366,1380, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 91 VAL HA 92 CYS HN 5.50 (# 923:10 Unique 2.28, 2.29 A)
&rst
ixpk= 923, nxpk= 10, iat=1492,1506, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 85 ARG HA 85 ARG HN 3.50 (# 924:10 Unique 2.92, 2.93 A)
&rst
ixpk= 924, nxpk= 10, iat=1382,1380, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:926 85 ARG HN 5.50 (# 926:10 Single Ambig)
&rst
ixpk= 926, nxpk= 10, iat= -1,1380, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1364,1419,
&end
#
# 86 TRP HN 85 ARG HN 5.50 (# 928:10 Unique 4.13, 4.25 A)
&rst
ixpk= 928, nxpk= 10, iat=1404,1380, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 87 ASP HN 86 TRP HN 2.80 (# 930:10 Unique 2.10, 2.19 A)
&rst
ixpk= 930, nxpk= 10, iat=1428,1404, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:931 86 TRP HN 5.50 (# 931:10 Single Ambig)
&rst
ixpk= 931, nxpk= 10, iat= -1,1404, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1380,1490,
&end
#
# 86 TRP HE3 86 TRP HN 5.50 (# 932:10 Unique 4.89, 4.97 A)
&rst
ixpk= 932, nxpk= 10, iat=1423,1404, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 88 THR HN 86 TRP HN 5.50 (# 933:10 Unique 3.89, 4.19 A)
&rst
ixpk= 933, nxpk= 10, iat=1440,1404, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 86 TRP HD1 86 TRP HN 3.50 (# 934:10 Unique 2.13, 2.19 A)
&rst
ixpk= 934, nxpk= 10, iat=1412,1404, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 85 ARG HA 86 TRP HN 2.80 (# 935:10 Unique 2.14, 2.16 A)
&rst
ixpk= 935, nxpk= 10, iat=1382,1404, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 86 TRP HA 86 TRP HN 2.80 (# 936:10 Unique 2.91, 2.92 A)
&rst
ixpk= 936, nxpk= 10, iat=1406,1404, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 86 TRP HB+ 86 TRP HN 2.80 (# 937:10 Unique 2.89, 3.29 A)
&rst
ixpk= 937, nxpk= 10, iat= -1,1404, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1408,1409,
&end
#
# 85 ARG HD+ 86 TRP HN 4.20 (# 938:10 Unique 3.41, 4.10 A)
&rst
ixpk= 938, nxpk= 10, iat= -1,1404, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1390,1391,
&end
#
# 86 TRP HB- 86 TRP HN 2.80 (# 939:10 Unique 2.89, 3.29 A)
&rst
ixpk= 939, nxpk= 10, iat= -1,1404, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1408,1409,
&end
#
# 87 ASP HB+ 86 TRP HN 5.50 (# 940:10 Unique 3.83, 4.63 A)
&rst
ixpk= 940, nxpk= 10, iat= -1,1404, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1432,1433,
&end
#
# 87 ASP HB- 86 TRP HN 5.50 (# 941:10 Unique 3.83, 4.63 A)
&rst
ixpk= 941, nxpk= 10, iat= -1,1404, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1432,1433,
&end
#
# 85 ARG HB+ 86 TRP HN 4.20 (# 942:10 Unique 3.59, 4.12 A)
&rst
ixpk= 942, nxpk= 10, iat= -1,1404, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1384,1385,
&end
#
# 85 ARG HB- 86 TRP HN 3.90 (# 943:10 Unique 3.59, 4.12 A)
&rst
ixpk= 943, nxpk= 10, iat= -1,1404, r1= 0.00, r2= 1.80, r3= 4.38, r4= 5.13,
igr1=1384,1385,
&end
#
# 85 ARG HG- 86 TRP HN 4.20 (# 944:10 Unique 4.81, 5.20 A)
&rst
ixpk= 944, nxpk= 10, iat= -1,1404, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1387,1388,
&end
#
# 91 VAL MGY 86 TRP HN 5.50 (# 945:10 Unique 3.75, 5.54 A)
&rst
ixpk= 945, nxpk= 10, iat= -1,1404, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1496,1497,1498,1500,1501,1502,
&end
#
# 91 VAL MGX 86 TRP HN 5.50 (# 946:10 Unique 3.75, 5.54 A)
&rst
ixpk= 946, nxpk= 10, iat= -1,1404, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1496,1497,1498,1500,1501,1502,
&end
#
# 84 VAL MGX 86 TRP HN 4.20 (# 947:10 Unique 4.22, 6.30 A)
&rst
ixpk= 947, nxpk= 10, iat= -1,1404, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1370,1371,1372,1374,1375,1376,
&end
#
# 88 THR MG2 87 ASP HN 4.50 (# 948:10 Unique 3.78, 4.86 A)
&rst
ixpk= 948, nxpk= 10, iat= -1,1428, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
igr1=1446,1447,1448,
&end
#
# 85 ARG HG- 87 ASP HN 5.50 (# 949:10 Unique 5.47, 5.53 A)
&rst
ixpk= 949, nxpk= 10, iat= -1,1428, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1387,1388,
&end
#
# 0 AMB 10-2:950 87 ASP HN 3.50 (# 950:10 Single Ambig)
&rst
ixpk= 950, nxpk= 10, iat= -1,1428, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1384,1385,1387,1388,
&end
#
# 85 ARG HB+ 87 ASP HN 4.20 (# 951:10 Unique 3.34, 4.20 A)
&rst
ixpk= 951, nxpk= 10, iat= -1,1428, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1384,1385,
&end
#
# 87 ASP HB- 87 ASP HN 2.80 (# 952:10 Unique 2.12, 2.70 A)
&rst
ixpk= 952, nxpk= 10, iat= -1,1428, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1432,1433,
&end
#
# 87 ASP HB+ 87 ASP HN 2.80 (# 953:10 Unique 2.12, 2.70 A)
&rst
ixpk= 953, nxpk= 10, iat= -1,1428, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1432,1433,
&end
#
# 86 TRP HB- 87 ASP HN 3.50 (# 954:10 Unique 3.14, 3.87 A)
&rst
ixpk= 954, nxpk= 10, iat= -1,1428, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1408,1409,
&end
#
# 85 ARG HD+ 87 ASP HN 5.50 (# 955:10 Unique 3.18, 4.00 A)
&rst
ixpk= 955, nxpk= 10, iat= -1,1428, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1390,1391,
&end
#
# 86 TRP HB+ 87 ASP HN 3.50 (# 956:10 Unique 3.14, 3.87 A)
&rst
ixpk= 956, nxpk= 10, iat= -1,1428, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1408,1409,
&end
#
# 88 THR HB 87 ASP HN 5.50 (# 957:10 Unique 4.59, 4.63 A)
&rst
ixpk= 957, nxpk= 10, iat=1444,1428, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:958 87 ASP HN 3.50 (# 958:10 Single Ambig)
&rst
ixpk= 958, nxpk= 10, iat= -1,1428, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1406,1442,
&end
#
# 0 AMB 10-2:959 87 ASP HN 2.80 (# 959:10 Single Ambig)
&rst
ixpk= 959, nxpk= 10, iat= -1,1428, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1430,1382,
&end
#
# 88 THR HN 87 ASP HN 2.80 (# 961:10 Unique 2.61, 2.74 A)
&rst
ixpk= 961, nxpk= 10, iat=1440,1428, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 86 TRP HN 87 ASP HN 2.80 (# 964:10 Unique 2.10, 2.19 A)
&rst
ixpk= 964, nxpk= 10, iat=1404,1428, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:965 87 ASP HN 5.50 (# 965:10 Single Ambig)
&rst
ixpk= 965, nxpk= 10, iat= -1,1428, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1380,1490,
&end
#
# 91 VAL MGX 88 THR HN 5.50 (# 966:10 Unique 4.65, 6.49 A)
&rst
ixpk= 966, nxpk= 10, iat= -1,1440, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1496,1497,1498,1500,1501,1502,
&end
#
# 88 THR MG2 88 THR HN 2.80 (# 967:10 Unique 2.09, 3.24 A)
&rst
ixpk= 967, nxpk= 10, iat= -1,1440, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1446,1447,1448,
&end
#
# 89 LYS HG+ 88 THR HN 5.50 (# 968:10 Unique 5.89, 6.15 A)
&rst
ixpk= 968, nxpk= 10, iat= -1,1440, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1461,1462,
&end
#
# 0 AMB 10-2:969 88 THR HN 3.50 (# 969:10 Single Ambig)
&rst
ixpk= 969, nxpk= 10, iat= -1,1440, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1384,1385,1387,1388,
&end
#
# 85 ARG HB+ 88 THR HN 5.50 (# 970:10 Unique 3.14, 4.42 A)
&rst
ixpk= 970, nxpk= 10, iat= -1,1440, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1384,1385,
&end
#
# 87 ASP HB- 88 THR HN 4.20 (# 971:10 Unique 3.92, 4.08 A)
&rst
ixpk= 971, nxpk= 10, iat= -1,1440, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1432,1433,
&end
#
# 87 ASP HB+ 88 THR HN 4.20 (# 972:10 Unique 3.92, 4.08 A)
&rst
ixpk= 972, nxpk= 10, iat= -1,1440, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1432,1433,
&end
#
# 0 AMB 10-2:973 88 THR HN 5.50 (# 973:10 Single Ambig)
&rst
ixpk= 973, nxpk= 10, iat= -1,1440, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1408,1409,1467,1468,
&end
#
# 88 THR HB 88 THR HN 3.50 (# 975:10 Unique 2.88, 3.21 A)
&rst
ixpk= 975, nxpk= 10, iat=1444,1440, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:976 88 THR HN 2.80 (# 976:10 Single Ambig)
&rst
ixpk= 976, nxpk= 10, iat= -1,1440, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1442,1406,
&end
#
# 87 ASP HA 88 THR HN 3.50 (# 977:10 Unique 3.07, 3.10 A)
&rst
ixpk= 977, nxpk= 10, iat=1430,1440, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 89 LYS HN 88 THR HN 4.50 (# 979:10 Unique 4.20, 4.20 A)
&rst
ixpk= 979, nxpk= 10, iat=1454,1440, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 87 ASP HN 88 THR HN 2.80 (# 981:10 Unique 2.61, 2.74 A)
&rst
ixpk= 981, nxpk= 10, iat=1428,1440, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 88 THR HN 89 LYS HN 4.50 (# 984:10 Unique 4.20, 4.20 A)
&rst
ixpk= 984, nxpk= 10, iat=1440,1454, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, &end
#
# 89 LYS HA 89 LYS HN 2.80 (# 986:10 Unique 2.71, 2.72 A)
&rst
ixpk= 986, nxpk= 10, iat=1456,1454, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 88 THR HB 89 LYS HN 4.10 (# 987:10 Unique 3.34, 3.35 A)
&rst
ixpk= 987, nxpk= 10, iat=1444,1454, r1= 0.00, r2= 1.80, r3= 4.10, r4= 4.85, &end
#
# 90 PRO HD+ 89 LYS HN 5.50 (# 988:10 Unique 4.59, 4.83 A)
&rst
ixpk= 988, nxpk= 10, iat= -1,1454, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1477,1478,
&end
#
# 0 AMB 10-2:989 89 LYS HN 2.80 (# 989:10 Single Ambig)
&rst
ixpk= 989, nxpk= 10, iat= -1,1454, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1458,1459,1458,1459,
&end
#
# 89 LYS HG+ 89 LYS HN 2.80 (# 990:10 Unique 3.17, 3.62 A)
&rst
ixpk= 990, nxpk= 10, iat= -1,1454, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1461,1462,
&end
#
# 88 THR MG2 89 LYS HN 3.10 (# 991:10 Unique 2.31, 3.03 A)
&rst
ixpk= 991, nxpk= 10, iat= -1,1454, r1= 0.00, r2= 1.80, r3= 3.72, r4= 4.47,
igr1=1446,1447,1448,
&end
#
# 91 VAL MGX 91 VAL HN 3.50 (# 993:10 Unique 1.90, 3.68 A)
&rst
ixpk= 993, nxpk= 10, iat= -1,1490, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1496,1497,1498,1500,1501,1502,
&end
#
# 0 AMB 10-2:995 91 VAL HN 5.50 (# 995:10 Single Ambig)
&rst
ixpk= 995, nxpk= 10, iat= -1,1490, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1= 34, 35, 36,1370,1371,1372,1374,1375,1376,
&end
#
# 91 VAL MGY 91 VAL HN 2.80 (# 996:10 Unique 1.90, 3.68 A)
&rst
ixpk= 996, nxpk= 10, iat= -1,1490, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1496,1497,1498,1500,1501,1502,
&end
#
# 89 LYS HG- 91 VAL HN 5.50 (# 997:10 Unique 3.73, 4.32 A)
&rst
ixpk= 997, nxpk= 10, iat= -1,1490, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1461,1462,
&end
#
# 91 VAL HB 91 VAL HN 2.80 (# 999:10 Unique 2.69, 2.72 A)
&rst
ixpk= 999, nxpk= 10, iat=1494,1490, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:1000 91 VAL HN 4.20 (# 1000:10 Single Ambig)
&rst
ixpk= 1000, nxpk= 10, iat= -1,1490, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1483,1484,1480,1481,1384,1385,
&end
#
# 90 PRO HB+ 91 VAL HN 4.20 (# 1002:10 Unique 4.12, 4.28 A)
&rst
ixpk= 1002, nxpk= 10, iat= -1,1490, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1483,1484,
&end
#
# 0 AMB 10-2:1003 91 VAL HN 5.50 (# 1003:10 Single Ambig)
&rst
ixpk= 1003, nxpk= 10, iat= -1,1490, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1408,1409,1477,1478,1366,
&end
#
# 91 VAL HA 91 VAL HN 3.50 (# 1004:10 Unique 2.87, 2.88 A)
&rst
ixpk= 1004, nxpk= 10, iat=1492,1490, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 86 TRP HA 91 VAL HN 5.40 (# 1005:10 Unique 3.50, 3.83 A)
&rst
ixpk= 1005, nxpk= 10, iat=1406,1490, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15, &end
#
# 0 AMB 10-2:1006 91 VAL HN 5.50 (# 1006:10 Single Ambig)
&rst
ixpk= 1006, nxpk= 10, iat= -1,1490, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1456,1382,
&end
#
# 90 PRO HA 91 VAL HN 2.80 (# 1007:10 Unique 2.28, 2.29 A)
&rst
ixpk= 1007, nxpk= 10, iat=1486,1490, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 93 ILE HN 92 CYS HN 5.50 (# 1008:10 Unique 4.50, 4.53 A)
&rst
ixpk= 1008, nxpk= 10, iat=1517,1506, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 91 VAL HA 92 CYS HN 2.80 (# 1011:10 Unique 2.28, 2.29 A)
&rst
ixpk= 1011, nxpk= 10, iat=1492,1506, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 92 CYS HB- 92 CYS HN 2.80 (# 1013:10 Unique 2.70, 3.23 A)
&rst
ixpk= 1013, nxpk= 10, iat= -1,1506, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1510,1511,
&end
#
# 0 AMB 10-2:1014 92 CYS HN 5.50 (# 1014:10 Single Ambig)
&rst
ixpk= 1014, nxpk= 10, iat= -1,1506, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1483,1484,1480,1481,1384,1385,
&end
#
# 0 AMB 10-2:1015 92 CYS HN 4.20 (# 1015:10 Single Ambig)
&rst
ixpk= 1015, nxpk= 10, iat= -1,1506, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1494, 25,
&end
#
# 2 ILE HG1- 92 CYS HN 5.50 (# 1016:10 Unique 4.11, 4.67 A)
&rst
ixpk= 1016, nxpk= 10, iat= -1,1506, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 31, 32,
&end
#
# 91 VAL MGY 92 CYS HN 3.50 (# 1017:10 Unique 1.92, 3.66 A)
&rst
ixpk= 1017, nxpk= 10, iat= -1,1506, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1496,1497,1498,1500,1501,1502,
&end
#
# 0 AMB 10-2:1018 92 CYS HN 3.50 (# 1018:10 Single Ambig)
&rst
ixpk= 1018, nxpk= 10, iat= -1,1506, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
igr1= 34, 35, 36,1370,1371,1372,1374,1375,1376,
&end
#
# 91 VAL MGX 92 CYS HN 3.50 (# 1019:10 Unique 1.92, 3.66 A)
&rst
ixpk= 1019, nxpk= 10, iat= -1,1506, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1496,1497,1498,1500,1501,1502,
&end
#
# 84 VAL MGX 92 CYS HN 4.20 (# 1020:10 Unique 4.06, 5.80 A)
&rst
ixpk= 1020, nxpk= 10, iat= -1,1506, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1370,1371,1372,1374,1375,1376,
&end
#
# 93 ILE QD1 93 ILE HN 3.50 (# 1022:10 Unique 1.84, 2.75 A)
&rst
ixpk= 1022, nxpk= 10, iat= -1,1517, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1530,1531,1532,
&end
#
# 93 ILE HG1- 93 ILE HN 3.50 (# 1023:10 Unique 2.30, 3.00 A)
&rst
ixpk= 1023, nxpk= 10, iat= -1,1517, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1527,1528,
&end
#
# 93 ILE HB 93 ILE HN 5.50 (# 1024:10 Unique 3.62, 3.64 A)
&rst
ixpk= 1024, nxpk= 10, iat=1521,1517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 92 CYS HB- 93 ILE HN 4.20 (# 1025:10 Unique 2.93, 3.57 A)
&rst
ixpk= 1025, nxpk= 10, iat= -1,1517, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1510,1511,
&end
#
# 6 GLY HA- 93 ILE HN 5.50 (# 1026:10 Unique 3.03, 3.72 A)
&rst
ixpk= 1026, nxpk= 10, iat= -1,1517, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 78, 79,
&end
#
# 93 ILE HA 93 ILE HN 4.20 (# 1027:10 Unique 2.88, 2.90 A)
&rst
ixpk= 1027, nxpk= 10, iat=1519,1517, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 6 GLY HA+ 93 ILE HN 4.20 (# 1028:10 Unique 3.03, 3.72 A)
&rst
ixpk= 1028, nxpk= 10, iat= -1,1517, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 78, 79,
&end
#
# 7 TYR HA 93 ILE HN 5.50 (# 1029:10 Unique 3.65, 3.82 A)
&rst
ixpk= 1029, nxpk= 10, iat= 85,1517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 94 GLY HN 93 ILE HN 3.50 (# 1031:10 Unique 2.61, 2.70 A)
&rst
ixpk= 1031, nxpk= 10, iat=1536,1517, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1032 93 ILE HN 5.50 (# 1032:10 Single Ambig)
&rst
ixpk= 1032, nxpk= 10, iat= -1,1517, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1506, 104,1490,
&end
#
# 93 ILE HN 94 GLY HN 2.80 (# 1033:10 Unique 2.61, 2.70 A)
&rst
ixpk= 1033, nxpk= 10, iat=1517,1536, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 95 GLN HN 94 GLY HN 4.20 (# 1034:10 Unique 4.04, 4.12 A)
&rst
ixpk= 1034, nxpk= 10, iat=1543,1536, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:1035 94 GLY HN 5.50 (# 1035:10 Single Ambig)
&rst
ixpk= 1035, nxpk= 10, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 104,1506,
&end
#
# 79 LEU HN 94 GLY HN 5.50 (# 1036:10 Unique 5.47, 5.52 A)
&rst
ixpk= 1036, nxpk= 10, iat=1266,1536, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 7 TYR HD 94 GLY HN 5.50 (# 1037:10 Unique 4.76, 5.17 A)
&rst
ixpk= 1037, nxpk= 10, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 91, 100,
&end
#
# 7 TYR HA 94 GLY HN 4.20 (# 1040:10 Unique 3.26, 3.48 A)
&rst
ixpk= 1040, nxpk= 10, iat= 85,1536, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 94 GLY HA+ 94 GLY HN 3.50 (# 1041:10 Unique 2.61, 2.79 A)
&rst
ixpk= 1041, nxpk= 10, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1538,1539,
&end
#
# 94 GLY HA- 94 GLY HN 4.20 (# 1042:10 Unique 2.61, 2.79 A)
&rst
ixpk= 1042, nxpk= 10, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1538,1539,
&end
#
# 6 GLY HA- 94 GLY HN 5.50 (# 1043:10 Unique 5.53, 5.88 A)
&rst
ixpk= 1043, nxpk= 10, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 78, 79,
&end
#
# 93 ILE HB 94 GLY HN 5.50 (# 1044:10 Unique 4.29, 4.38 A)
&rst
ixpk= 1044, nxpk= 10, iat=1521,1536, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 93 ILE HG1- 94 GLY HN 3.50 (# 1045:10 Unique 2.99, 4.08 A)
&rst
ixpk= 1045, nxpk= 10, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1527,1528,
&end
#
# 0 AMB 10-2:1046 94 GLY HN 2.80 (# 1046:10 Single Ambig)
&rst
ixpk= 1046, nxpk= 10, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1=1527,1528,1530,1531,1532,
&end
#
# 91 VAL MGX 94 GLY HN 5.50 (# 1047:10 Unique 5.14, 6.80 A)
&rst
ixpk= 1047, nxpk= 10, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1496,1497,1498,1500,1501,1502,
&end
#
# 79 LEU HG 94 GLY HN 5.50 (# 1049:10 Unique 5.07, 5.42 A)
&rst
ixpk= 1049, nxpk= 10, iat=1273,1536, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1050 94 GLY HN 5.50 (# 1050:10 Single Ambig)
&rst
ixpk= 1050, nxpk= 10, iat= -1,1536, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1=1251,1252,1203,1204,1368,1306,1307,
&end
#
# 0 AMB 10-2:1051 47 GLU HN 5.50 (# 1051:10 Single Ambig)
&rst
ixpk= 1051, nxpk= 10, iat= -1, 706, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 773, 782,1653,1661,
&end
#
# 0 AMB 10-2:1052 47 GLU HN 4.20 (# 1052:10 Single Ambig)
&rst
ixpk= 1052, nxpk= 10, iat= -1, 706, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1= 733, 734,1655,1659,
&end
#
# 7 TYR HD 95 GLN HN 5.50 (# 1053:10 Unique 3.65, 5.79 A)
&rst
ixpk= 1053, nxpk= 10, iat= -1,1543, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 91, 100,
&end
#
# 46 ALA HA 47 GLU HN 3.50 (# 1055:10 Unique 3.55, 3.55 A)
&rst
ixpk= 1055, nxpk= 10, iat= 698, 706, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1056 95 GLN HN 5.50 (# 1056:10 Single Ambig)
&rst
ixpk= 1056, nxpk= 10, iat= -1,1543, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1547,1548,1251,1252,
&end
#
# 0 AMB 10-2:1057 0 AMB 10-1:1057 5.50 (# 1057:10 Double Ambig)
&rst
ixpk= 1057, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
igr1=1275,1276,1277,1279,1280,1281,1567,1568, 626, 627,
igr2=1543, 706,
&end
#
# 95 GLN HB+ 96 LYS HN 4.20 (# 1058:10 Unique 2.50, 3.43 A)
&rst
ixpk= 1058, nxpk= 10, iat= -1,1560, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1547,1548,
&end
#
# 95 GLN HG- 96 LYS HN 5.50 (# 1059:10 Unique 2.31, 3.84 A)
&rst
ixpk= 1059, nxpk= 10, iat= -1,1560, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1550,1551,
&end
#
# 96 LYS HD+ 96 LYS HN 4.20 (# 1060:10 Unique 1.97, 4.53 A)
&rst
ixpk= 1060, nxpk= 10, iat= -1,1560, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1570,1571,
&end
#
# 95 GLN HA 96 LYS HN 3.50 (# 1061:10 Unique 2.23, 2.31 A)
&rst
ixpk= 1061, nxpk= 10, iat=1545,1560, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 96 LYS HA 96 LYS HN 5.50 (# 1062:10 Unique 2.95, 2.95 A)
&rst
ixpk= 1062, nxpk= 10, iat=1562,1560, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 10 ASN HN 96 LYS HN 5.50 (# 1063:10 Unique 2.99, 3.49 A)
&rst
ixpk= 1063, nxpk= 10, iat= 142,1560, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 76 ARG HG- 97 GLN HN 5.50 (# 1064:10 Unique 2.49, 4.04 A)
&rst
ixpk= 1064, nxpk= 10, iat= -1,1582, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1206,1207,
&end
#
# 96 LYS HB- 97 GLN HN 5.50 (# 1065:10 Unique 2.76, 3.48 A)
&rst
ixpk= 1065, nxpk= 10, iat= -1,1582, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1564,1565,
&end
#
# 0 AMB 10-2:1067 97 GLN HN 5.50 (# 1067:10 Single Ambig)
&rst
ixpk= 1067, nxpk= 10, iat= -1,1582, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1203,1204,1564,1565,
&end
#
# 97 GLN HB- 97 GLN HN 4.20 (# 1068:10 Unique 2.33, 2.97 A)
&rst
ixpk= 1068, nxpk= 10, iat= -1,1582, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1586,1587,
&end
#
# 97 GLN HG+ 97 GLN HN 5.50 (# 1069:10 Unique 3.01, 4.25 A)
&rst
ixpk= 1069, nxpk= 10, iat= -1,1582, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1589,1590,
&end
#
# 0 AMB 10-2:1070 97 GLN HN 4.20 (# 1070:10 Single Ambig)
&rst
ixpk= 1070, nxpk= 10, iat= -1,1582, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1586,1587,1589,1590,1209,1210,
&end
#
# 76 ARG HA 97 GLN HN 5.50 (# 1071:10 Unique 2.47, 3.92 A)
&rst
ixpk= 1071, nxpk= 10, iat=1201,1582, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 LYS HA 97 GLN HN 4.20 (# 1072:10 Unique 2.16, 2.22 A)
&rst
ixpk= 1072, nxpk= 10, iat=1562,1582, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 97 GLN HA 97 GLN HN 5.50 (# 1073:10 Unique 2.94, 2.94 A)
&rst
ixpk= 1073, nxpk= 10, iat=1584,1582, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 98 LYS HN 97 GLN HN 5.50 (# 1074:10 Unique 4.26, 4.34 A)
&rst
ixpk= 1074, nxpk= 10, iat=1599,1582, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 75 LEU HN 97 GLN HN 5.50 (# 1075:10 Unique 4.05, 4.70 A)
&rst
ixpk= 1075, nxpk= 10, iat=1180,1582, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1076 97 GLN HN 5.50 (# 1076:10 Single Ambig)
&rst
ixpk= 1076, nxpk= 10, iat= -1,1582, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1199,1223,
&end
#
# 97 GLN HN 98 LYS HN 5.50 (# 1077:10 Unique 4.26, 4.34 A)
&rst
ixpk= 1077, nxpk= 10, iat=1582,1599, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 10 ASN HN 98 LYS HN 5.50 (# 1078:10 Unique 3.79, 4.08 A)
&rst
ixpk= 1078, nxpk= 10, iat= 142,1599, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 97 GLN HE2+ 98 LYS HN 5.50 (# 1079:10 Unique 5.81, 6.68 A)
&rst
ixpk= 1079, nxpk= 10, iat= -1,1599, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1594,1595,
&end
#
# 97 GLN HA 98 LYS HN 3.50 (# 1080:10 Unique 2.14, 2.15 A)
&rst
ixpk= 1080, nxpk= 10, iat=1584,1599, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 11 VAL HA 98 LYS HN 5.50 (# 1081:10 Unique 2.30, 2.58 A)
&rst
ixpk= 1081, nxpk= 10, iat= 158,1599, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1082 98 LYS HN 5.50 (# 1082:10 Single Ambig)
&rst
ixpk= 1082, nxpk= 10, iat= -1,1599, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1601, 174, 175,
&end
#
# 11 VAL HB 98 LYS HN 5.50 (# 1083:10 Unique 4.89, 5.21 A)
&rst
ixpk= 1083, nxpk= 10, iat= 160,1599, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1084 98 LYS HN 5.50 (# 1084:10 Single Ambig)
&rst
ixpk= 1084, nxpk= 10, iat= -1,1599, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1586,1587,1589,1590,
&end
#
# 98 LYS HB+ 98 LYS HN 4.20 (# 1085:10 Unique 2.33, 2.87 A)
&rst
ixpk= 1085, nxpk= 10, iat= -1,1599, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1603,1604,
&end
#
# 11 VAL MGY 98 LYS HN 5.50 (# 1086:10 Unique 3.46, 5.34 A)
&rst
ixpk= 1086, nxpk= 10, iat= -1,1599, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 11 VAL MGX 98 LYS HN 5.50 (# 1087:10 Unique 3.46, 5.34 A)
&rst
ixpk= 1087, nxpk= 10, iat= -1,1599, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 162, 163, 164, 166, 167, 168,
&end
#
# 98 LYS HB- 98 LYS HN 5.50 (# 1088:10 Unique 2.33, 2.87 A)
&rst
ixpk= 1088, nxpk= 10, iat= -1,1599, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1603,1604,
&end
#
# 98 LYS HB- 99 TRP HN 5.50 (# 1089:10 Unique 3.25, 4.14 A)
&rst
ixpk= 1089, nxpk= 10, iat= -1,1621, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1603,1604,
&end
#
# 98 LYS HG- 99 TRP HN 4.20 (# 1090:10 Unique 2.60, 4.10 A)
&rst
ixpk= 1090, nxpk= 10, iat= -1,1621, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1606,1607,
&end
#
# 71 THR MG2 99 TRP HN 3.50 (# 1091:10 Unique 3.22, 4.61 A)
&rst
ixpk= 1091, nxpk= 10, iat= -1,1621, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1110,1111,1112,
&end
#
# 0 AMB 10-2:1092 99 TRP HN 5.50 (# 1092:10 Single Ambig)
&rst
ixpk= 1092, nxpk= 10, iat= -1,1621, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1189,1190,1191,1193,1194,1195, 162, 163, 164, 166,
167, 168,
&end
#
# 98 LYS HE- 99 TRP HN 5.50 (# 1093:10 Unique 2.19, 4.32 A)
&rst
ixpk= 1093, nxpk= 10, iat= -1,1621, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1612,1613,
&end
#
# 99 TRP HB- 99 TRP HN 4.20 (# 1094:10 Unique 2.59, 3.21 A)
&rst
ixpk= 1094, nxpk= 10, iat= -1,1621, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1625,1626,
&end
#
# 99 TRP HB+ 99 TRP HN 4.20 (# 1095:10 Unique 2.59, 3.21 A)
&rst
ixpk= 1095, nxpk= 10, iat= -1,1621, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1625,1626,
&end
#
# 98 LYS HA 99 TRP HN 2.80 (# 1096:10 Unique 2.14, 2.14 A)
&rst
ixpk= 1096, nxpk= 10, iat=1601,1621, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 71 THR HB 99 TRP HN 5.50 (# 1097:10 Unique 4.83, 5.19 A)
&rst
ixpk= 1097, nxpk= 10, iat=1108,1621, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 TRP HA 99 TRP HN 5.50 (# 1099:10 Unique 2.93, 2.94 A)
&rst
ixpk= 1099, nxpk= 10, iat=1623,1621, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 TRP HD1 99 TRP HN 4.20 (# 1100:10 Unique 2.64, 3.25 A)
&rst
ixpk= 1100, nxpk= 10, iat=1629,1621, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:1101 99 TRP HN 4.20 (# 1101:10 Single Ambig)
&rst
ixpk= 1101, nxpk= 10, iat= -1,1621, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1104,1645,
&end
#
# 0 AMB 10-2:1103 99 TRP HN 5.50 (# 1103:10 Single Ambig)
&rst
ixpk= 1103, nxpk= 10, iat= -1,1621, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1631,1582,
&end
#
# 77 TYR HA 77 TYR HN 5.50 (# 1104:10 Unique 2.89, 2.94 A)
&rst
ixpk= 1104, nxpk= 10, iat=1225,1223, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 100 PHE HD 100 PHE HN 2.80 (# 1105:10 Unique 3.10, 4.55 A)
&rst
ixpk= 1105, nxpk= 10, iat= -1,1645, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1653,1661,
&end
#
# 99 TRP HE3 100 PHE HN 5.50 (# 1106:10 Unique 3.42, 3.74 A)
&rst
ixpk= 1106, nxpk= 10, iat=1640,1645, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1107 100 PHE HN 4.20 (# 1107:10 Single Ambig)
&rst
ixpk= 1107, nxpk= 10, iat= -1,1645, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 172,1621,
&end
#
# 101 LEU HN 100 PHE HN 5.50 (# 1108:10 Unique 4.20, 4.33 A)
&rst
ixpk= 1108, nxpk= 10, iat=1665,1645, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 VAL HN 100 PHE HN 5.50 (# 1109:10 Unique 3.65, 3.75 A)
&rst
ixpk= 1109, nxpk= 10, iat= 198,1645, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 101 LEU HB- 101 LEU HN 4.20 (# 1111:10 Unique 2.30, 2.77 A)
&rst
ixpk= 1111, nxpk= 10, iat= -1,1665, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1669,1670,
&end
#
# 0 AMB 10-2:1112 101 LEU HN 4.20 (# 1112:10 Single Ambig)
&rst
ixpk= 1112, nxpk= 10, iat= -1,1665, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1674,1675,1676,1678,1679,1680,1606,1607,
&end
#
# 101 LEU HB+ 101 LEU HN 2.80 (# 1113:10 Unique 2.30, 2.77 A)
&rst
ixpk= 1113, nxpk= 10, iat= -1,1665, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1669,1670,
&end
#
# 0 AMB 10-2:1114 101 LEU HN 4.20 (# 1114:10 Single Ambig)
&rst
ixpk= 1114, nxpk= 10, iat= -1,1665, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
igr1=1674,1675,1676,1678,1679,1680, 759, 760, 761,
&end
#
# 0 AMB 10-2:1115 101 LEU HN 4.20 (# 1115:10 Single Ambig)
&rst
ixpk= 1115, nxpk= 10, iat= -1,1665, r1= 0.00, r2= 1.80, r3= 5.49, r4= 6.24,
igr1=1087,1088,1089,1068,1069,
&end
#
# 100 PHE HB+ 101 LEU HN 4.20 (# 1117:10 Unique 3.04, 3.74 A)
&rst
ixpk= 1117, nxpk= 10, iat= -1,1665, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1649,1650,
&end
#
# 70 SER HB+ 101 LEU HN 5.50 (# 1118:10 Unique 3.52, 4.32 A)
&rst
ixpk= 1118, nxpk= 10, iat= -1,1665, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1097,1098,
&end
#
# 101 LEU HA 101 LEU HN 4.20 (# 1120:10 Unique 2.93, 2.94 A)
&rst
ixpk= 1120, nxpk= 10, iat=1667,1665, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 70 SER HA 101 LEU HN 3.50 (# 1121:10 Unique 2.87, 3.04 A)
&rst
ixpk= 1121, nxpk= 10, iat=1095,1665, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 151 PHE HD 101 LEU HN 4.20 (# 1122:10 Unique 4.06, 5.14 A)
&rst
ixpk= 1122, nxpk= 10, iat= -1,1665, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2515,2523,
&end
#
# 69 ALA HN 101 LEU HN 4.20 (# 1124:10 Unique 3.31, 3.51 A)
&rst
ixpk= 1124, nxpk= 10, iat=1083,1665, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 70 SER HN 101 LEU HN 5.50 (# 1125:10 Unique 4.71, 4.87 A)
&rst
ixpk= 1125, nxpk= 10, iat=1093,1665, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1126 101 LEU HN 4.20 (# 1126:10 Single Ambig)
&rst
ixpk= 1126, nxpk= 10, iat= -1,1665, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1645,1104,
&end
#
# 102 LEU HN 101 LEU HN 5.50 (# 1127:10 Unique 4.15, 4.26 A)
&rst
ixpk= 1127, nxpk= 10, iat=1684,1665, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 VAL HN 101 LEU HN 5.50 (# 1128:10 Unique 5.16, 5.48 A)
&rst
ixpk= 1128, nxpk= 10, iat= 198,1665, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 102 LEU HA 102 LEU HN 5.50 (# 1131:10 Unique 2.94, 2.94 A)
&rst
ixpk= 1131, nxpk= 10, iat=1686,1684, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 101 LEU HA 102 LEU HN 2.80 (# 1132:10 Unique 2.14, 2.15 A)
&rst
ixpk= 1132, nxpk= 10, iat=1667,1684, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 15 ILE HA 102 LEU HN 4.20 (# 1133:10 Unique 2.76, 2.92 A)
&rst
ixpk= 1133, nxpk= 10, iat= 216,1684, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 101 LEU HB- 102 LEU HN 5.50 (# 1134:10 Unique 3.99, 4.34 A)
&rst
ixpk= 1134, nxpk= 10, iat= -1,1684, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1669,1670,
&end
#
# 0 AMB 10-2:1135 102 LEU HN 2.80 (# 1135:10 Single Ambig)
&rst
ixpk= 1135, nxpk= 10, iat= -1,1684, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
igr1=1693,1694,1695,1697,1698,1699, 227, 228, 229,1073,
1074,1075,1077,1078,1079,
&end
#
# 0 AMB 10-2:1136 102 LEU HN 4.20 (# 1136:10 Single Ambig)
&rst
ixpk= 1136, nxpk= 10, iat= -1,1684, r1= 0.00, r2= 1.80, r3= 6.52, r4= 7.27,
igr1=1669,1670,1073,1074,1075,1077,1078,1079,2554,2555,
2556,2558,2559,2560,
&end
#
# 101 LEU MDX 102 LEU HN 2.80 (# 1137:10 Unique 1.94, 4.25 A)
&rst
ixpk= 1137, nxpk= 10, iat= -1,1684, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 102 LEU HB- 102 LEU HN 5.50 (# 1138:10 Unique 2.40, 3.51 A)
&rst
ixpk= 1138, nxpk= 10, iat= -1,1684, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1688,1689,
&end
#
# 102 LEU HB+ 102 LEU HN 4.20 (# 1139:10 Unique 2.40, 3.51 A)
&rst
ixpk= 1139, nxpk= 10, iat= -1,1684, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1688,1689,
&end
#
# 14 VAL HB 102 LEU HN 5.50 (# 1140:10 Unique 3.00, 3.84 A)
&rst
ixpk= 1140, nxpk= 10, iat= 202,1684, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 66 ARG HN 103 GLN HN 4.20 (# 1141:10 Unique 2.75, 3.31 A)
&rst
ixpk= 1141, nxpk= 10, iat=1021,1703, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 65 VAL HA 103 GLN HN 5.50 (# 1142:10 Unique 4.35, 5.03 A)
&rst
ixpk= 1142, nxpk= 10, iat=1007,1703, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 102 LEU HA 103 GLN HN 3.50 (# 1143:10 Unique 2.14, 2.24 A)
&rst
ixpk= 1143, nxpk= 10, iat=1686,1703, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 103 GLN HA 103 GLN HN 4.20 (# 1144:10 Unique 2.85, 2.90 A)
&rst
ixpk= 1144, nxpk= 10, iat=1705,1703, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 66 ARG HA 103 GLN HN 5.50 (# 1145:10 Unique 4.92, 5.25 A)
&rst
ixpk= 1145, nxpk= 10, iat=1023,1703, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1146 103 GLN HN 5.50 (# 1146:10 Single Ambig)
&rst
ixpk= 1146, nxpk= 10, iat= -1,1703, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1066,1741,
&end
#
# 67 ILE HA 103 GLN HN 5.50 (# 1147:10 Unique 3.71, 4.06 A)
&rst
ixpk= 1147, nxpk= 10, iat=1047,1703, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 103 GLN HG+ 103 GLN HN 4.20 (# 1148:10 Unique 3.64, 4.22 A)
&rst
ixpk= 1148, nxpk= 10, iat= -1,1703, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1710,1711,
&end
#
# 103 GLN HB+ 103 GLN HN 3.50 (# 1149:10 Unique 2.09, 2.73 A)
&rst
ixpk= 1149, nxpk= 10, iat= -1,1703, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1707,1708,
&end
#
# 103 GLN HB- 103 GLN HN 2.80 (# 1150:10 Unique 2.09, 2.73 A)
&rst
ixpk= 1150, nxpk= 10, iat= -1,1703, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1707,1708,
&end
#
# 66 ARG HG+ 103 GLN HN 3.50 (# 1151:10 Unique 2.76, 3.97 A)
&rst
ixpk= 1151, nxpk= 10, iat= -1,1703, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1028,1029,
&end
#
# 102 LEU HB- 103 GLN HN 5.50 (# 1152:10 Unique 2.54, 3.39 A)
&rst
ixpk= 1152, nxpk= 10, iat= -1,1703, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1688,1689,
&end
#
# 0 AMB 10-2:1153 103 GLN HN 2.80 (# 1153:10 Single Ambig)
&rst
ixpk= 1153, nxpk= 10, iat= -1,1703, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1073,1074,1075,1077,1078,1079,1693,1694,1695,1697,
1698,1699,
&end
#
# 0 AMB 10-2:1154 104 LEU HN 3.50 (# 1154:10 Single Ambig)
&rst
ixpk= 1154, nxpk= 10, iat= -1,1720, r1= 0.00, r2= 1.80, r3= 5.90, r4= 6.65,
igr1= 227, 228, 229,1745,1746,1747,1749,1750,1751,1073,
1074,1075,1077,1078,1079, 224, 225,1693,1694,1695,
1697,1698,1699,
&end
#
# 0 AMB 10-2:1155 104 LEU HN 2.80 (# 1155:10 Single Ambig)
&rst
ixpk= 1155, nxpk= 10, iat= -1,1720, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
igr1= 220, 221, 222,1011,1012,1013,1015,1016,1017,
&end
#
# 104 LEU MDY 104 LEU HN 3.50 (# 1156:10 Unique 3.59, 4.96 A)
&rst
ixpk= 1156, nxpk= 10, iat= -1,1720, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1729,1730,1731,1733,1734,1735,
&end
#
# 104 LEU HB- 104 LEU HN 4.20 (# 1157:10 Unique 2.11, 2.55 A)
&rst
ixpk= 1157, nxpk= 10, iat= -1,1720, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1724,1725,
&end
#
# 0 AMB 10-2:1158 104 LEU HN 5.50 (# 1158:10 Single Ambig)
&rst
ixpk= 1158, nxpk= 10, iat= -1,1720, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 248, 249,1691, 924,
&end
#
# 103 GLN HB- 104 LEU HN 4.20 (# 1159:10 Unique 3.38, 4.01 A)
&rst
ixpk= 1159, nxpk= 10, iat= -1,1720, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1707,1708,
&end
#
# 0 AMB 10-2:1160 104 LEU HN 2.80 (# 1160:10 Single Ambig)
&rst
ixpk= 1160, nxpk= 10, iat= -1,1720, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1724,1725,1710,1711,
&end
#
# 104 LEU HA 104 LEU HN 4.20 (# 1161:10 Unique 2.80, 2.85 A)
&rst
ixpk= 1161, nxpk= 10, iat=1722,1720, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 103 GLN HA 104 LEU HN 2.80 (# 1162:10 Unique 2.14, 2.21 A)
&rst
ixpk= 1162, nxpk= 10, iat=1705,1720, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 17 ASN HA 104 LEU HN 5.50 (# 1163:10 Unique 3.13, 3.72 A)
&rst
ixpk= 1163, nxpk= 10, iat= 246,1720, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 103 GLN HE2- 104 LEU HN 5.50 (# 1164:10 Unique 3.77, 4.91 A)
&rst
ixpk= 1164, nxpk= 10, iat= -1,1720, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1715,1716,
&end
#
# 103 GLN HN 104 LEU HN 5.50 (# 1165:10 Unique 4.31, 4.52 A)
&rst
ixpk= 1165, nxpk= 10, iat=1703,1720, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1166 105 VAL HN 5.50 (# 1166:10 Single Ambig)
&rst
ixpk= 1166, nxpk= 10, iat= -1,1739, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1021,1766,
&end
#
# 106 SER HN 105 VAL HN 4.20 (# 1167:10 Unique 1.95, 2.36 A)
&rst
ixpk= 1167, nxpk= 10, iat=1755,1739, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 65 VAL HA 105 VAL HN 4.20 (# 1168:10 Unique 2.38, 2.75 A)
&rst
ixpk= 1168, nxpk= 10, iat=1007,1739, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 104 LEU HA 105 VAL HN 3.50 (# 1169:10 Unique 2.14, 2.15 A)
&rst
ixpk= 1169, nxpk= 10, iat=1722,1739, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 105 VAL HA 105 VAL HN 4.20 (# 1170:10 Unique 2.86, 2.91 A)
&rst
ixpk= 1170, nxpk= 10, iat=1741,1739, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:1171 105 VAL HN 4.20 (# 1171:10 Single Ambig)
&rst
ixpk= 1171, nxpk= 10, iat= -1,1739, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1743,1724,1725,
&end
#
# 0 AMB 10-2:1172 105 VAL HN 5.50 (# 1172:10 Single Ambig)
&rst
ixpk= 1172, nxpk= 10, iat= -1,1739, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1724,1725, 350, 351, 352,
&end
#
# 104 LEU MDX 105 VAL HN 3.50 (# 1173:10 Unique 2.07, 4.71 A)
&rst
ixpk= 1173, nxpk= 10, iat= -1,1739, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1729,1730,1731,1733,1734,1735,
&end
#
# 105 VAL MGY 105 VAL HN 2.80 (# 1174:10 Unique 1.95, 3.67 A)
&rst
ixpk= 1174, nxpk= 10, iat= -1,1739, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1745,1746,1747,1749,1750,1751,
&end
#
# 105 VAL MGX 105 VAL HN 2.80 (# 1175:10 Unique 1.95, 3.67 A)
&rst
ixpk= 1175, nxpk= 10, iat= -1,1739, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1745,1746,1747,1749,1750,1751,
&end
#
# 0 AMB 10-2:1176 106 SER HN 5.50 (# 1176:10 Single Ambig)
&rst
ixpk= 1176, nxpk= 10, iat= -1,1755, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
&end
#
# 105 VAL MGX 106 SER HN 3.50 (# 1177:10 Unique 1.97, 4.04 A)
&rst
ixpk= 1177, nxpk= 10, iat= -1,1755, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1745,1746,1747,1749,1750,1751,
&end
#
# 104 LEU MDX 106 SER HN 2.80 (# 1178:10 Unique 3.27, 5.07 A)
&rst
ixpk= 1178, nxpk= 10, iat= -1,1755, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=1729,1730,1731,1733,1734,1735,
&end
#
# 0 AMB 10-2:1179 106 SER HN 5.50 (# 1179:10 Single Ambig)
&rst
ixpk= 1179, nxpk= 10, iat= -1,1755, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1724,1725, 978, 979,
&end
#
# 105 VAL HB 106 SER HN 3.50 (# 1181:10 Unique 1.95, 3.07 A)
&rst
ixpk= 1181, nxpk= 10, iat=1743,1755, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 106 SER HB- 106 SER HN 4.20 (# 1182:10 Unique 2.08, 2.72 A)
&rst
ixpk= 1182, nxpk= 10, iat= -1,1755, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1759,1760,
&end
#
# 106 SER HB+ 106 SER HN 4.20 (# 1183:10 Unique 2.08, 2.72 A)
&rst
ixpk= 1183, nxpk= 10, iat= -1,1755, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1759,1760,
&end
#
# 105 VAL HA 106 SER HN 4.20 (# 1184:10 Unique 3.45, 3.53 A)
&rst
ixpk= 1184, nxpk= 10, iat=1741,1755, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 107 GLY HN 106 SER HN 5.50 (# 1187:10 Unique 2.68, 2.93 A)
&rst
ixpk= 1187, nxpk= 10, iat=1766,1755, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 105 VAL HN 106 SER HN 3.50 (# 1188:10 Unique 1.95, 2.36 A)
&rst
ixpk= 1188, nxpk= 10, iat=1739,1755, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 109 ALA HN 107 GLY HN 5.50 (# 1189:10 Unique 4.36, 4.80 A)
&rst
ixpk= 1189, nxpk= 10, iat=1785,1766, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 110 GLU HN 107 GLY HN 5.50 (# 1191:10 Unique 3.67, 4.10 A)
&rst
ixpk= 1191, nxpk= 10, iat=1795,1766, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 106 SER HN 107 GLY HN 5.50 (# 1192:10 Unique 2.68, 2.93 A)
&rst
ixpk= 1192, nxpk= 10, iat=1755,1766, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1195 107 GLY HN 2.80 (# 1195:10 Single Ambig)
&rst
ixpk= 1195, nxpk= 10, iat= -1,1766, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1759,1760,1768,1769,
&end
#
# 106 SER HB- 107 GLY HN 3.50 (# 1196:10 Unique 1.94, 2.54 A)
&rst
ixpk= 1196, nxpk= 10, iat= -1,1766, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1759,1760,
&end
#
# 107 GLY HA+ 107 GLY HN 2.80 (# 1197:10 Unique 2.61, 2.79 A)
&rst
ixpk= 1197, nxpk= 10, iat= -1,1766, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1768,1769,
&end
#
# 110 GLU HG- 107 GLY HN 5.50 (# 1200:10 Unique 2.58, 3.81 A)
&rst
ixpk= 1200, nxpk= 10, iat= -1,1766, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1802,1803,
&end
#
# 110 GLU HB- 107 GLY HN 4.20 (# 1201:10 Unique 2.66, 4.21 A)
&rst
ixpk= 1201, nxpk= 10, iat= -1,1766, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1799,1800,
&end
#
# 104 LEU MDX 107 GLY HN 5.50 (# 1202:10 Unique 2.81, 4.02 A)
&rst
ixpk= 1202, nxpk= 10, iat= -1,1766, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1729,1730,1731,1733,1734,1735,
&end
#
# 104 LEU MDY 108 ASP HN 4.20 (# 1203:10 Unique 2.66, 5.14 A)
&rst
ixpk= 1203, nxpk= 10, iat= -1,1773, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1729,1730,1731,1733,1734,1735,
&end
#
# 0 AMB 10-2:1204 108 ASP HN 4.20 (# 1204:10 Single Ambig)
&rst
ixpk= 1204, nxpk= 10, iat= -1,1773, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1789,1790,1791, 924, 248, 249,
&end
#
# 111 ILE QD1 108 ASP HN 5.50 (# 1205:10 Unique 4.44, 5.56 A)
&rst
ixpk= 1205, nxpk= 10, iat= -1,1773, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1823,1824,1825,
&end
#
# 0 AMB 10-2:1207 108 ASP HN 5.50 (# 1207:10 Single Ambig)
&rst
ixpk= 1207, nxpk= 10, iat= -1,1773, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1724,1725, 350, 351, 352,
&end
#
# 108 ASP HB+ 108 ASP HN 2.80 (# 1208:10 Unique 2.24, 2.95 A)
&rst
ixpk= 1208, nxpk= 10, iat= -1,1773, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1777,1778,
&end
#
# 108 ASP HA 108 ASP HN 2.80 (# 1209:10 Unique 2.76, 2.83 A)
&rst
ixpk= 1209, nxpk= 10, iat=1775,1773, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 107 GLY HA+ 108 ASP HN 2.80 (# 1210:10 Unique 2.35, 2.56 A)
&rst
ixpk= 1210, nxpk= 10, iat= -1,1773, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1768,1769,
&end
#
# 107 GLY HA- 108 ASP HN 2.80 (# 1211:10 Unique 2.35, 2.56 A)
&rst
ixpk= 1211, nxpk= 10, iat= -1,1773, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1768,1769,
&end
#
# 110 GLU HN 108 ASP HN 5.50 (# 1213:10 Unique 4.12, 4.30 A)
&rst
ixpk= 1213, nxpk= 10, iat=1795,1773, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 109 ALA HN 108 ASP HN 2.80 (# 1214:10 Unique 2.40, 2.58 A)
&rst
ixpk= 1214, nxpk= 10, iat=1785,1773, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 108 ASP HN 109 ALA HN 3.50 (# 1216:10 Unique 2.40, 2.58 A)
&rst
ixpk= 1216, nxpk= 10, iat=1773,1785, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 110 GLU HN 109 ALA HN 3.50 (# 1217:10 Unique 2.58, 2.68 A)
&rst
ixpk= 1217, nxpk= 10, iat=1795,1785, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 111 ILE HN 109 ALA HN 5.50 (# 1218:10 Unique 4.10, 4.15 A)
&rst
ixpk= 1218, nxpk= 10, iat=1810,1785, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1219 109 ALA HN 2.80 (# 1219:10 Single Ambig)
&rst
ixpk= 1219, nxpk= 10, iat= -1,1785, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1787,1775,
&end
#
# 107 GLY HA- 109 ALA HN 4.20 (# 1220:10 Unique 2.98, 3.64 A)
&rst
ixpk= 1220, nxpk= 10, iat= -1,1785, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1768,1769,
&end
#
# 108 ASP HB+ 109 ALA HN 3.50 (# 1221:10 Unique 3.57, 4.07 A)
&rst
ixpk= 1221, nxpk= 10, iat= -1,1785, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1777,1778,
&end
#
# 109 ALA MB 109 ALA HN 2.80 (# 1222:10 Unique 2.07, 2.88 A)
&rst
ixpk= 1222, nxpk= 10, iat= -1,1785, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1789,1790,1791,
&end
#
# 0 AMB 10-2:1223 0 AMB 10-1:1223 5.50 (# 1223:10 Double Ambig)
&rst
ixpk= 1223, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=2443,2444,2445,2447,2448,2449,1823,1824,1825,
igr2=2507,1795,
&end
#
# 0 AMB 10-2:1224 0 AMB 10-1:1224 4.20 (# 1224:10 Double Ambig)
&rst
ixpk= 1224, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.63, r4= 8.38,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,1674,1675,1676,1678,1679,1680,
igr2=1795,2507,
&end
#
# 0 AMB 10-2:1225 0 AMB 10-1:1225 5.50 (# 1225:10 Double Ambig)
&rst
ixpk= 1225, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=10.17, r4=10.92,
igr1=1729,1730,1731,1733,1734,1735,2554,2555,2556,2558,
2559,2560,1669,1670,2570,2571,2572,2574,2575,2576,
igr2=1795,2507,
&end
#
# 0 AMB 10-2:1226 110 GLU HN 5.50 (# 1226:10 Single Ambig)
&rst
ixpk= 1226, nxpk= 10, iat= -1,1795, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1= 350, 351, 352,1724,1725, 978, 979,
&end
#
# 0 AMB 10-2:1227 110 GLU HN 3.50 (# 1227:10 Single Ambig)
&rst
ixpk= 1227, nxpk= 10, iat= -1,1795, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1789,1790,1791, 924,
&end
#
# 0 AMB 10-2:1228 151 PHE HN 2.80 (# 1228:10 Single Ambig)
&rst
ixpk= 1228, nxpk= 10, iat= -1,2507, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
igr1=2496,2497,2531,2532,2533,
&end
#
# 110 GLU HB- 110 GLU HN 2.80 (# 1229:10 Unique 2.10, 2.93 A)
&rst
ixpk= 1229, nxpk= 10, iat= -1,1795, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1799,1800,
&end
#
# 0 AMB 10-2:1230 0 AMB 10-1:1230 2.80 (# 1230:10 Double Ambig)
&rst
ixpk= 1230, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
igr1=1799,1800,2499,2500,
igr2=1795,2507,
&end
#
# 110 GLU HG- 110 GLU HN 3.50 (# 1231:10 Unique 1.97, 3.36 A)
&rst
ixpk= 1231, nxpk= 10, iat= -1,1795, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1802,1803,
&end
#
# 151 PHE HB- 151 PHE HN 3.50 (# 1233:10 Unique 2.43, 3.05 A)
&rst
ixpk= 1233, nxpk= 10, iat= -1,2507, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2511,2512,
&end
#
# 151 PHE HB+ 151 PHE HN 4.20 (# 1234:10 Unique 2.43, 3.05 A)
&rst
ixpk= 1234, nxpk= 10, iat= -1,2507, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2511,2512,
&end
#
# 0 AMB 10-2:1235 0 AMB 10-1:1235 3.50 (# 1235:10 Double Ambig)
&rst
ixpk= 1235, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
igr1=2494,1759,1760,1768,1769,
igr2=2507,1795,
&end
#
# 109 ALA HA 110 GLU HN 3.50 (# 1236:10 Unique 3.33, 3.44 A)
&rst
ixpk= 1236, nxpk= 10, iat=1787,1795, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 151 PHE HA 151 PHE HN 4.20 (# 1238:10 Unique 2.82, 2.87 A)
&rst
ixpk= 1238, nxpk= 10, iat=2509,2507, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 151 PHE HD 151 PHE HN 3.50 (# 1239:10 Unique 2.93, 3.63 A)
&rst
ixpk= 1239, nxpk= 10, iat= -1,2507, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2515,2523,
&end
#
# 111 ILE HN 110 GLU HN 3.50 (# 1240:10 Unique 2.16, 2.38 A)
&rst
ixpk= 1240, nxpk= 10, iat=1810,1795, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 109 ALA HN 110 GLU HN 3.50 (# 1241:10 Unique 2.58, 2.68 A)
&rst
ixpk= 1241, nxpk= 10, iat=1785,1795, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1243 110 GLU HN 4.20 (# 1243:10 Single Ambig)
&rst
ixpk= 1243, nxpk= 10, iat= -1,1795, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1766,1773,
&end
#
# 0 AMB 10-2:1244 111 ILE HN 5.50 (# 1244:10 Single Ambig)
&rst
ixpk= 1244, nxpk= 10, iat= -1,1810, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1785,1829,
&end
#
# 110 GLU HN 111 ILE HN 3.50 (# 1245:10 Unique 2.16, 2.38 A)
&rst
ixpk= 1245, nxpk= 10, iat=1795,1810, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1246 111 ILE HN 5.50 (# 1246:10 Single Ambig)
&rst
ixpk= 1246, nxpk= 10, iat= -1,1810, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1775,1787,
&end
#
# 110 GLU HA 111 ILE HN 5.50 (# 1247:10 Unique 3.32, 3.43 A)
&rst
ixpk= 1247, nxpk= 10, iat=1797,1810, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 111 ILE HA 111 ILE HN 5.50 (# 1248:10 Unique 2.74, 2.77 A)
&rst
ixpk= 1248, nxpk= 10, iat=1812,1810, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 108 ASP HB+ 111 ILE HN 5.50 (# 1249:10 Unique 4.53, 5.09 A)
&rst
ixpk= 1249, nxpk= 10, iat= -1,1810, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1777,1778,
&end
#
# 111 ILE HB 111 ILE HN 3.50 (# 1250:10 Unique 2.49, 2.60 A)
&rst
ixpk= 1250, nxpk= 10, iat=1814,1810, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 111 ILE HG1- 111 ILE HN 4.20 (# 1251:10 Unique 1.90, 2.63 A)
&rst
ixpk= 1251, nxpk= 10, iat= -1,1810, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1820,1821,
&end
#
# 111 ILE QG2 111 ILE HN 4.20 (# 1252:10 Unique 4.38, 4.53 A)
&rst
ixpk= 1252, nxpk= 10, iat= -1,1810, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1816,1817,1818,
&end
#
# 111 ILE HG1+ 111 ILE HN 5.50 (# 1253:10 Unique 1.90, 2.63 A)
&rst
ixpk= 1253, nxpk= 10, iat= -1,1810, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1820,1821,
&end
#
# 0 AMB 10-2:1254 111 ILE HN 5.50 (# 1254:10 Single Ambig)
&rst
ixpk= 1254, nxpk= 10, iat= -1,1810, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
&end
#
# 111 ILE QD1 111 ILE HN 4.20 (# 1255:10 Unique 3.57, 4.30 A)
&rst
ixpk= 1255, nxpk= 10, iat= -1,1810, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1823,1824,1825,
&end
#
# 111 ILE QD1 112 ASN HN 5.50 (# 1256:10 Unique 5.88, 6.46 A)
&rst
ixpk= 1256, nxpk= 10, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1823,1824,1825,
&end
#
# 111 ILE QG2 112 ASN HN 3.50 (# 1257:10 Unique 2.65, 3.91 A)
&rst
ixpk= 1257, nxpk= 10, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1816,1817,1818,
&end
#
# 111 ILE HG1+ 112 ASN HN 5.50 (# 1258:10 Unique 4.36, 4.83 A)
&rst
ixpk= 1258, nxpk= 10, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1820,1821,
&end
#
# 0 AMB 10-2:1259 112 ASN HN 4.20 (# 1259:10 Single Ambig)
&rst
ixpk= 1259, nxpk= 10, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1= 926, 927, 928, 930, 931, 932, 926, 927, 928, 930,
931, 932,
&end
#
# 0 AMB 10-2:1260 112 ASN HN 4.20 (# 1260:10 Single Ambig)
&rst
ixpk= 1260, nxpk= 10, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1= 900, 901, 902, 904, 905, 906, 900, 901, 902, 904,
905, 906,
&end
#
# 111 ILE HG1- 112 ASN HN 5.50 (# 1261:10 Unique 4.36, 4.83 A)
&rst
ixpk= 1261, nxpk= 10, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1820,1821,
&end
#
# 111 ILE HB 112 ASN HN 5.50 (# 1262:10 Unique 4.08, 4.35 A)
&rst
ixpk= 1262, nxpk= 10, iat=1814,1829, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1263 112 ASN HN 5.50 (# 1263:10 Single Ambig)
&rst
ixpk= 1263, nxpk= 10, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1=1854,1855,1856,1847,1848,1799,1800,
&end
#
# 112 ASN HB+ 112 ASN HN 3.50 (# 1264:10 Unique 2.24, 2.69 A)
&rst
ixpk= 1264, nxpk= 10, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1833,1834,
&end
#
# 111 ILE HA 112 ASN HN 2.80 (# 1265:10 Unique 2.14, 2.16 A)
&rst
ixpk= 1265, nxpk= 10, iat=1812,1829, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 59 GLY HA+ 112 ASN HN 4.20 (# 1266:10 Unique 1.90, 3.24 A)
&rst
ixpk= 1266, nxpk= 10, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 912, 913,
&end
#
# 0 AMB 10-2:1267 112 ASN HN 5.50 (# 1267:10 Single Ambig)
&rst
ixpk= 1267, nxpk= 10, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1845, 846,1775,
&end
#
# 112 ASN HD2- 112 ASN HN 5.50 (# 1269:10 Unique 4.13, 5.14 A)
&rst
ixpk= 1269, nxpk= 10, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1838,1839,
&end
#
# 111 ILE HN 112 ASN HN 5.50 (# 1270:10 Unique 4.23, 4.39 A)
&rst
ixpk= 1270, nxpk= 10, iat=1810,1829, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1271 112 ASN HN 5.50 (# 1271:10 Single Ambig)
&rst
ixpk= 1271, nxpk= 10, iat= -1,1829, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 910,1838,1839,
&end
#
# 113 MET HN 112 ASN HN 5.50 (# 1272:10 Unique 2.69, 3.78 A)
&rst
ixpk= 1272, nxpk= 10, iat=1843,1829, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 114 GLN HN 113 MET HN 3.50 (# 1275:10 Unique 1.89, 2.73 A)
&rst
ixpk= 1275, nxpk= 10, iat=1860,1843, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 113 MET HA 113 MET HN 4.20 (# 1277:10 Unique 2.27, 2.77 A)
&rst
ixpk= 1277, nxpk= 10, iat=1845,1843, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 113 MET HG- 113 MET HN 3.50 (# 1278:10 Unique 2.36, 3.17 A)
&rst
ixpk= 1278, nxpk= 10, iat= -1,1843, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1850,1851,
&end
#
# 113 MET HG+ 113 MET HN 3.50 (# 1279:10 Unique 2.36, 3.17 A)
&rst
ixpk= 1279, nxpk= 10, iat= -1,1843, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1850,1851,
&end
#
# 0 AMB 10-2:1280 113 MET HN 5.50 (# 1280:10 Single Ambig)
&rst
ixpk= 1280, nxpk= 10, iat= -1,1843, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1864,1865,1867,1868,
&end
#
# 114 GLN HB- 113 MET HN 5.50 (# 1281:10 Unique 3.73, 5.11 A)
&rst
ixpk= 1281, nxpk= 10, iat= -1,1843, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1864,1865,
&end
#
# 111 ILE QG2 113 MET HN 5.50 (# 1282:10 Unique 3.14, 4.57 A)
&rst
ixpk= 1282, nxpk= 10, iat= -1,1843, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1816,1817,1818,
&end
#
# 114 GLN HG- 114 GLN HN 5.50 (# 1283:10 Unique 2.19, 2.76 A)
&rst
ixpk= 1283, nxpk= 10, iat= -1,1860, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1867,1868,
&end
#
# 112 ASN HD2- 114 GLN HN 5.50 (# 1285:10 Unique 1.94, 2.84 A)
&rst
ixpk= 1285, nxpk= 10, iat= -1,1860, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1838,1839,
&end
#
# 0 AMB 10-2:1286 114 GLN HN 5.50 (# 1286:10 Single Ambig)
&rst
ixpk= 1286, nxpk= 10, iat= -1,1860, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1941, 438,
&end
#
# 113 MET HN 114 GLN HN 3.50 (# 1287:10 Unique 1.89, 2.73 A)
&rst
ixpk= 1287, nxpk= 10, iat=1843,1860, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 116 SER HN 115 THR HN 2.80 (# 1288:10 Unique 2.77, 3.03 A)
&rst
ixpk= 1288, nxpk= 10, iat=1891,1877, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 114 GLN HA 115 THR HN 2.97 (# 1289:10 Unique 3.08, 3.11 A)
&rst
ixpk= 1289, nxpk= 10, iat=1862,1877, r1= 0.00, r2= 1.80, r3= 2.97, r4= 3.72, &end
#
# 113 MET HA 115 THR HN 5.50 (# 1291:10 Unique 3.07, 3.33 A)
&rst
ixpk= 1291, nxpk= 10, iat=1845,1877, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 115 THR HA 115 THR HN 2.80 (# 1292:10 Unique 2.74, 2.76 A)
&rst
ixpk= 1292, nxpk= 10, iat=1879,1877, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:1293 115 THR HN 3.50 (# 1293:10 Single Ambig)
&rst
ixpk= 1293, nxpk= 10, iat= -1,1877, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1881, 912, 913,
&end
#
# 116 SER HB- 115 THR HN 5.50 (# 1294:10 Unique 4.89, 5.63 A)
&rst
ixpk= 1294, nxpk= 10, iat= -1,1877, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1895,1896,
&end
#
# 0 AMB 10-2:1295 115 THR HN 3.50 (# 1295:10 Single Ambig)
&rst
ixpk= 1295, nxpk= 10, iat= -1,1877, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1867,1868,1864,1865,
&end
#
# 0 AMB 10-2:1296 115 THR HN 3.50 (# 1296:10 Single Ambig)
&rst
ixpk= 1296, nxpk= 10, iat= -1,1877, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1864,1865,1934,1935,
&end
#
# 114 GLN HG- 115 THR HN 5.50 (# 1297:10 Unique 3.28, 3.90 A)
&rst
ixpk= 1297, nxpk= 10, iat= -1,1877, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1867,1868,
&end
#
# 115 THR MG2 115 THR HN 2.80 (# 1300:10 Unique 2.81, 3.99 A)
&rst
ixpk= 1300, nxpk= 10, iat= -1,1877, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=1883,1884,1885,
&end
#
# 115 THR HA 116 SER HN 3.50 (# 1303:10 Unique 3.48, 3.55 A)
&rst
ixpk= 1303, nxpk= 10, iat=1879,1891, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 116 SER HB- 116 SER HN 5.50 (# 1304:10 Unique 2.11, 2.79 A)
&rst
ixpk= 1304, nxpk= 10, iat= -1,1891, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1895,1896,
&end
#
# 118 THR MG2 117 SER HN 5.50 (# 1306:10 Unique 5.58, 6.70 A)
&rst
ixpk= 1306, nxpk= 10, iat= -1,1902, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1919,1920,1921,
&end
#
# 116 SER HB- 117 SER HN 3.50 (# 1307:10 Unique 2.43, 3.39 A)
&rst
ixpk= 1307, nxpk= 10, iat= -1,1902, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1895,1896,
&end
#
# 0 AMB 10-2:1308 117 SER HN 2.80 (# 1308:10 Single Ambig)
&rst
ixpk= 1308, nxpk= 10, iat= -1,1902, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1906,1907,1895,1896,
&end
#
# 117 SER HA 117 SER HN 2.80 (# 1309:10 Unique 2.75, 2.76 A)
&rst
ixpk= 1309, nxpk= 10, iat=1904,1902, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 116 SER HA 117 SER HN 2.80 (# 1310:10 Unique 2.35, 2.40 A)
&rst
ixpk= 1310, nxpk= 10, iat=1893,1902, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 118 THR HN 117 SER HN 2.80 (# 1313:10 Unique 2.83, 2.94 A)
&rst
ixpk= 1313, nxpk= 10, iat=1913,1902, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 117 SER HN 118 THR HN 2.80 (# 1315:10 Unique 2.83, 2.94 A)
&rst
ixpk= 1315, nxpk= 10, iat=1902,1913, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:1316 118 THR HN 4.20 (# 1316:10 Single Ambig)
&rst
ixpk= 1316, nxpk= 10, iat= -1,1913, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1893,1862,
&end
#
# 0 AMB 10-2:1318 118 THR HN 2.80 (# 1318:10 Single Ambig)
&rst
ixpk= 1318, nxpk= 10, iat= -1,1913, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1915,1904,
&end
#
# 118 THR HB 118 THR HN 3.50 (# 1319:10 Unique 3.53, 3.61 A)
&rst
ixpk= 1319, nxpk= 10, iat=1917,1913, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1320 118 THR HN 2.80 (# 1320:10 Single Ambig)
&rst
ixpk= 1320, nxpk= 10, iat= -1,1913, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1906,1907,1895,1896,
&end
#
# 116 SER HB- 118 THR HN 4.20 (# 1321:10 Unique 2.76, 3.83 A)
&rst
ixpk= 1321, nxpk= 10, iat= -1,1913, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1895,1896,
&end
#
# 119 PRO HD+ 118 THR HN 4.20 (# 1322:10 Unique 4.25, 4.50 A)
&rst
ixpk= 1322, nxpk= 10, iat= -1,1913, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1928,1929,
&end
#
# 119 PRO HD- 118 THR HN 4.20 (# 1323:10 Unique 4.25, 4.50 A)
&rst
ixpk= 1323, nxpk= 10, iat= -1,1913, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1928,1929,
&end
#
# 118 THR MG2 118 THR HN 3.50 (# 1326:10 Unique 3.23, 4.12 A)
&rst
ixpk= 1326, nxpk= 10, iat= -1,1913, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1919,1920,1921,
&end
#
# 120 GLU HB- 120 GLU HN 4.20 (# 1327:10 Unique 2.09, 2.90 A)
&rst
ixpk= 1327, nxpk= 10, iat= -1,1941, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1945,1946,
&end
#
# 0 AMB 10-2:1328 120 GLU HN 3.55 (# 1328:10 Single Ambig)
&rst
ixpk= 1328, nxpk= 10, iat= -1,1941, r1= 0.00, r2= 1.80, r3= 4.47, r4= 5.22,
igr1=1948,1949,1931,1932,
&end
#
# 120 GLU HB+ 120 GLU HN 2.80 (# 1329:10 Unique 2.09, 2.90 A)
&rst
ixpk= 1329, nxpk= 10, iat= -1,1941, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1945,1946,
&end
#
# 119 PRO HB+ 120 GLU HN 5.50 (# 1330:10 Unique 2.72, 3.55 A)
&rst
ixpk= 1330, nxpk= 10, iat= -1,1941, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1934,1935,
&end
#
# 119 PRO HA 120 GLU HN 2.80 (# 1332:10 Unique 2.15, 2.22 A)
&rst
ixpk= 1332, nxpk= 10, iat=1937,1941, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 121 PHE HN 120 GLU HN 5.50 (# 1333:10 Unique 1.88, 2.19 A)
&rst
ixpk= 1333, nxpk= 10, iat=1956,1941, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 121 PHE HA 121 PHE HN 5.50 (# 1334:10 Unique 2.75, 2.83 A)
&rst
ixpk= 1334, nxpk= 10, iat=1958,1956, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 121 PHE HB- 122 ASP HN 5.50 (# 1336:10 Unique 2.60, 3.92 A)
&rst
ixpk= 1336, nxpk= 10, iat= -1,1976, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1960,1961,
&end
#
# 121 PHE HB+ 122 ASP HN 5.50 (# 1337:10 Unique 2.60, 3.92 A)
&rst
ixpk= 1337, nxpk= 10, iat= -1,1976, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1960,1961,
&end
#
# 0 AMB 10-2:1338 0 AMB 10-1:1338 5.50 (# 1338:10 Double Ambig)
&rst
ixpk= 1338, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 440,1492,
igr2=1976,1428,
&end
#
# 121 PHE HA 122 ASP HN 5.50 (# 1339:10 Unique 2.22, 2.77 A)
&rst
ixpk= 1339, nxpk= 10, iat=1958,1976, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 123 GLY HN 122 ASP HN 3.50 (# 1340:10 Unique 2.61, 2.93 A)
&rst
ixpk= 1340, nxpk= 10, iat=1988,1976, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 122 ASP HN 123 GLY HN 3.50 (# 1342:10 Unique 2.61, 2.93 A)
&rst
ixpk= 1342, nxpk= 10, iat=1976,1988, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 123 GLY HA+ 123 GLY HN 4.20 (# 1344:10 Unique 2.30, 2.72 A)
&rst
ixpk= 1344, nxpk= 10, iat= -1,1988, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1990,1991,
&end
#
# 123 GLY HA- 123 GLY HN 4.20 (# 1345:10 Unique 2.30, 2.72 A)
&rst
ixpk= 1345, nxpk= 10, iat= -1,1988, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1990,1991,
&end
#
# 125 ARG HN 124 TRP HN 5.50 (# 1347:10 Unique 4.25, 4.43 A)
&rst
ixpk= 1347, nxpk= 10, iat=2019,1995, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 123 GLY HN 124 TRP HN 5.50 (# 1348:10 Unique 3.76, 4.31 A)
&rst
ixpk= 1348, nxpk= 10, iat=1988,1995, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1349 124 TRP HN 4.20 (# 1349:10 Single Ambig)
&rst
ixpk= 1349, nxpk= 10, iat= -1,1995, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1= 525,1966,1970,2058,
&end
#
# 124 TRP HA 124 TRP HN 4.20 (# 1351:10 Unique 2.92, 2.93 A)
&rst
ixpk= 1351, nxpk= 10, iat=1997,1995, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 123 GLY HA+ 124 TRP HN 2.80 (# 1353:10 Unique 2.14, 2.59 A)
&rst
ixpk= 1353, nxpk= 10, iat= -1,1995, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1990,1991,
&end
#
# 123 GLY HA- 124 TRP HN 2.80 (# 1354:10 Unique 2.14, 2.59 A)
&rst
ixpk= 1354, nxpk= 10, iat= -1,1995, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1990,1991,
&end
#
# 124 TRP HB+ 124 TRP HN 5.50 (# 1355:10 Unique 2.26, 3.25 A)
&rst
ixpk= 1355, nxpk= 10, iat= -1,1995, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1999,2000,
&end
#
# 33 TRP HH2 125 ARG HN 5.50 (# 1357:10 Unique 4.26, 6.17 A)
&rst
ixpk= 1357, nxpk= 10, iat= 525,2019, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 124 TRP HA 125 ARG HN 5.50 (# 1358:10 Unique 2.15, 2.20 A)
&rst
ixpk= 1358, nxpk= 10, iat=1997,2019, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 25 ALA HA 125 ARG HN 5.50 (# 1359:10 Unique 3.15, 3.95 A)
&rst
ixpk= 1359, nxpk= 10, iat= 382,2019, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 125 ARG HA 125 ARG HN 5.50 (# 1360:10 Unique 2.89, 2.93 A)
&rst
ixpk= 1360, nxpk= 10, iat=2021,2019, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 124 TRP HB- 125 ARG HN 5.50 (# 1361:10 Unique 2.47, 3.68 A)
&rst
ixpk= 1361, nxpk= 10, iat= -1,2019, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1999,2000,
&end
#
# 125 ARG HG+ 125 ARG HN 5.50 (# 1362:10 Unique 4.04, 4.59 A)
&rst
ixpk= 1362, nxpk= 10, iat= -1,2019, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2026,2027,
&end
#
# 125 ARG HB+ 125 ARG HN 5.50 (# 1363:10 Unique 2.51, 2.99 A)
&rst
ixpk= 1363, nxpk= 10, iat= -1,2019, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2023,2024,
&end
#
# 0 AMB 10-2:1366 2 ILE HN 3.50 (# 1366:10 Single Ambig)
&rst
ixpk= 1366, nxpk= 10, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 6, 23,
&end
#
# 1 MET HB+ 2 ILE HN 5.50 (# 1368:10 Unique 2.16, 4.03 A)
&rst
ixpk= 1368, nxpk= 10, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 8, 9,
&end
#
# 125 ARG HG- 126 TRP HN 5.50 (# 1369:10 Unique 1.98, 3.03 A)
&rst
ixpk= 1369, nxpk= 10, iat= -1,2043, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2026,2027,
&end
#
# 127 VAL MGY 127 VAL HN 4.20 (# 1370:10 Unique 1.92, 3.51 A)
&rst
ixpk= 1370, nxpk= 10, iat= -1,2067, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=2073,2074,2075,2077,2078,2079,
&end
#
# 127 VAL MGX 127 VAL HN 3.50 (# 1371:10 Unique 1.92, 3.51 A)
&rst
ixpk= 1371, nxpk= 10, iat= -1,2067, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2073,2074,2075,2077,2078,2079,
&end
#
# 22 VAL MGX 127 VAL HN 4.20 (# 1372:10 Unique 2.20, 5.08 A)
&rst
ixpk= 1372, nxpk= 10, iat= -1,2067, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 21 GLN HB+ 127 VAL HN 5.50 (# 1373:10 Unique 2.44, 4.26 A)
&rst
ixpk= 1373, nxpk= 10, iat= -1,2067, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 310, 311,
&end
#
# 126 TRP HB+ 127 VAL HN 4.20 (# 1375:10 Unique 2.66, 3.51 A)
&rst
ixpk= 1375, nxpk= 10, iat= -1,2067, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2047,2048,
&end
#
# 126 TRP HA 127 VAL HN 3.50 (# 1377:10 Unique 2.14, 2.23 A)
&rst
ixpk= 1377, nxpk= 10, iat=2045,2067, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 126 TRP HN 127 VAL HN 5.50 (# 1379:10 Unique 4.30, 4.47 A)
&rst
ixpk= 1379, nxpk= 10, iat=2043,2067, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 22 VAL HN 127 VAL HN 5.50 (# 1380:10 Unique 2.37, 3.18 A)
&rst
ixpk= 1380, nxpk= 10, iat= 323,2067, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 128 SER HA 128 SER HN 5.50 (# 1382:10 Unique 2.74, 2.84 A)
&rst
ixpk= 1382, nxpk= 10, iat=2085,2083, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 128 SER HB+ 128 SER HN 3.50 (# 1383:10 Unique 2.09, 2.90 A)
&rst
ixpk= 1383, nxpk= 10, iat= -1,2083, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2087,2088,
&end
#
# 127 VAL HB 128 SER HN 3.50 (# 1384:10 Unique 1.87, 2.13 A)
&rst
ixpk= 1384, nxpk= 10, iat=2071,2083, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 127 VAL MGX 128 SER HN 4.20 (# 1385:10 Unique 1.94, 4.09 A)
&rst
ixpk= 1385, nxpk= 10, iat= -1,2083, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=2073,2074,2075,2077,2078,2079,
&end
#
# 127 VAL MGY 128 SER HN 3.50 (# 1386:10 Unique 1.94, 4.09 A)
&rst
ixpk= 1386, nxpk= 10, iat= -1,2083, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2073,2074,2075,2077,2078,2079,
&end
#
# 22 VAL MGX 129 TYR HN 5.50 (# 1387:10 Unique 3.49, 5.54 A)
&rst
ixpk= 1387, nxpk= 10, iat= -1,2094, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 329, 330, 331, 333, 334, 335,
&end
#
# 129 TYR HB- 129 TYR HN 4.20 (# 1388:10 Unique 2.13, 3.08 A)
&rst
ixpk= 1388, nxpk= 10, iat= -1,2094, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2098,2099,
&end
#
# 129 TYR HB+ 129 TYR HN 4.20 (# 1389:10 Unique 2.13, 3.08 A)
&rst
ixpk= 1389, nxpk= 10, iat= -1,2094, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2098,2099,
&end
#
# 128 SER HB+ 129 TYR HN 3.50 (# 1390:10 Unique 2.24, 3.35 A)
&rst
ixpk= 1390, nxpk= 10, iat= -1,2094, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2087,2088,
&end
#
# 128 SER HA 129 TYR HN 2.80 (# 1391:10 Unique 2.26, 2.40 A)
&rst
ixpk= 1391, nxpk= 10, iat=2085,2094, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 129 TYR HD 129 TYR HN 4.20 (# 1393:10 Unique 2.05, 3.45 A)
&rst
ixpk= 1393, nxpk= 10, iat= -1,2094, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2102,2111,
&end
#
# 130 TRP HN 129 TYR HN 5.50 (# 1394:10 Unique 2.35, 2.45 A)
&rst
ixpk= 1394, nxpk= 10, iat=2115,2094, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 129 TYR HB- 130 TRP HN 5.50 (# 1395:10 Unique 3.27, 4.04 A)
&rst
ixpk= 1395, nxpk= 10, iat= -1,2115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2098,2099,
&end
#
# 0 AMB 10-2:1396 130 TRP HN 4.20 (# 1396:10 Single Ambig)
&rst
ixpk= 1396, nxpk= 10, iat= -1,2115, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1=2119,2120,2098,2099,
&end
#
# 130 TRP HB+ 130 TRP HN 5.50 (# 1397:10 Unique 2.21, 3.02 A)
&rst
ixpk= 1397, nxpk= 10, iat= -1,2115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2119,2120,
&end
#
# 128 SER HB+ 130 TRP HN 5.50 (# 1398:10 Unique 2.11, 3.13 A)
&rst
ixpk= 1398, nxpk= 10, iat= -1,2115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2087,2088,
&end
#
# 131 TYR HN 130 TRP HN 5.50 (# 1399:10 Unique 1.96, 2.19 A)
&rst
ixpk= 1399, nxpk= 10, iat=2139,2115, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 127 VAL MGX 131 TYR HN 5.50 (# 1400:10 Unique 4.13, 6.39 A)
&rst
ixpk= 1400, nxpk= 10, iat= -1,2139, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2073,2074,2075,2077,2078,2079,
&end
#
# 0 AMB 10-2:1401 131 TYR HN 5.50 (# 1401:10 Single Ambig)
&rst
ixpk= 1401, nxpk= 10, iat= -1,2139, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2180,2181,2182,2184,2185,2186,2167,2168,
&end
#
# 0 AMB 10-2:1403 131 TYR HN 5.50 (# 1403:10 Single Ambig)
&rst
ixpk= 1403, nxpk= 10, iat= -1,2139, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=2071,2194,2195,2457,2458,
&end
#
# 131 TYR HB+ 131 TYR HN 3.50 (# 1404:10 Unique 2.08, 2.64 A)
&rst
ixpk= 1404, nxpk= 10, iat= -1,2139, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2143,2144,
&end
#
# 130 TRP HB+ 131 TYR HN 4.20 (# 1405:10 Unique 3.68, 4.03 A)
&rst
ixpk= 1405, nxpk= 10, iat= -1,2139, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2119,2120,
&end
#
# 132 PRO HD+ 131 TYR HN 5.50 (# 1406:10 Unique 1.86, 2.58 A)
&rst
ixpk= 1406, nxpk= 10, iat= -1,2139, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2161,2162,
&end
#
# 128 SER HB+ 131 TYR HN 5.50 (# 1407:10 Unique 2.06, 3.17 A)
&rst
ixpk= 1407, nxpk= 10, iat= -1,2139, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2087,2088,
&end
#
# 131 TYR HA 131 TYR HN 4.20 (# 1408:10 Unique 2.73, 2.83 A)
&rst
ixpk= 1408, nxpk= 10, iat=2141,2139, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 131 TYR HD 131 TYR HN 5.50 (# 1409:10 Unique 2.42, 4.40 A)
&rst
ixpk= 1409, nxpk= 10, iat= -1,2139, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2147,2156,
&end
#
# 130 TRP HN 131 TYR HN 5.50 (# 1410:10 Unique 1.96, 2.19 A)
&rst
ixpk= 1410, nxpk= 10, iat=2115,2139, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 134 ARG HN 133 VAL HN 3.50 (# 1412:10 Unique 2.42, 2.55 A)
&rst
ixpk= 1412, nxpk= 10, iat=2190,2174, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 133 VAL HA 133 VAL HN 3.50 (# 1413:10 Unique 2.81, 2.84 A)
&rst
ixpk= 1413, nxpk= 10, iat=2176,2174, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 132 PRO HA 133 VAL HN 5.50 (# 1414:10 Unique 2.46, 3.42 A)
&rst
ixpk= 1414, nxpk= 10, iat=2170,2174, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 133 VAL HB 133 VAL HN 3.50 (# 1415:10 Unique 2.30, 2.68 A)
&rst
ixpk= 1415, nxpk= 10, iat=2178,2174, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1416 133 VAL HN 4.20 (# 1416:10 Single Ambig)
&rst
ixpk= 1416, nxpk= 10, iat= -1,2174, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
igr1=2167,2168,2221,2222,2464,2465,2466,
&end
#
# 0 AMB 10-2:1417 133 VAL HN 5.50 (# 1417:10 Single Ambig)
&rst
ixpk= 1417, nxpk= 10, iat= -1,2174, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2194,2195,2071,
&end
#
# 133 VAL MGY 133 VAL HN 2.80 (# 1418:10 Unique 1.93, 3.67 A)
&rst
ixpk= 1418, nxpk= 10, iat= -1,2174, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2180,2181,2182,2184,2185,2186,
&end
#
# 0 AMB 10-2:1419 134 ARG HN 4.20 (# 1419:10 Single Ambig)
&rst
ixpk= 1419, nxpk= 10, iat= -1,2190, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=2180,2181,2182,2184,2185,2186,2180,2181,2182,2184,
2185,2186,
&end
#
# 0 AMB 10-2:1420 134 ARG HN 3.50 (# 1420:10 Single Ambig)
&rst
ixpk= 1420, nxpk= 10, iat= -1,2190, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2197,2198,2221,2222,
&end
#
# 134 ARG HB+ 134 ARG HN 3.50 (# 1421:10 Unique 2.11, 2.78 A)
&rst
ixpk= 1421, nxpk= 10, iat= -1,2190, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2194,2195,
&end
#
# 134 ARG HB- 134 ARG HN 2.80 (# 1422:10 Unique 2.11, 2.78 A)
&rst
ixpk= 1422, nxpk= 10, iat= -1,2190, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2194,2195,
&end
#
# 133 VAL HB 134 ARG HN 4.20 (# 1423:10 Unique 2.82, 3.12 A)
&rst
ixpk= 1423, nxpk= 10, iat=2178,2190, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 134 ARG HD+ 134 ARG HN 5.50 (# 1424:10 Unique 4.66, 5.14 A)
&rst
ixpk= 1424, nxpk= 10, iat= -1,2190, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2200,2201,
&end
#
# 133 VAL HA 134 ARG HN 5.50 (# 1425:10 Unique 3.38, 3.44 A)
&rst
ixpk= 1425, nxpk= 10, iat=2176,2190, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 134 ARG HA 134 ARG HN 3.50 (# 1426:10 Unique 2.87, 2.91 A)
&rst
ixpk= 1426, nxpk= 10, iat=2192,2190, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 131 TYR HD 134 ARG HN 5.50 (# 1427:10 Unique 4.91, 6.50 A)
&rst
ixpk= 1427, nxpk= 10, iat= -1,2190, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2147,2156,
&end
#
# 133 VAL HN 134 ARG HN 3.50 (# 1428:10 Unique 2.42, 2.55 A)
&rst
ixpk= 1428, nxpk= 10, iat=2174,2190, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 136 VAL HN 134 ARG HN 5.50 (# 1429:10 Unique 3.56, 3.79 A)
&rst
ixpk= 1429, nxpk= 10, iat=2231,2190, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 136 VAL HN 135 GLN HN 3.50 (# 1432:10 Unique 2.08, 2.31 A)
&rst
ixpk= 1432, nxpk= 10, iat=2231,2214, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 133 VAL HN 135 GLN HN 4.20 (# 1433:10 Unique 3.67, 4.00 A)
&rst
ixpk= 1433, nxpk= 10, iat=2174,2214, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:1434 135 GLN HN 3.50 (# 1434:10 Single Ambig)
&rst
ixpk= 1434, nxpk= 10, iat= -1,2214, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2216,2192,
&end
#
# 134 ARG HB+ 135 GLN HN 4.20 (# 1436:10 Unique 3.09, 3.42 A)
&rst
ixpk= 1436, nxpk= 10, iat= -1,2214, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2194,2195,
&end
#
# 135 GLN HG+ 135 GLN HN 3.50 (# 1437:10 Unique 2.14, 3.19 A)
&rst
ixpk= 1437, nxpk= 10, iat= -1,2214, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2221,2222,
&end
#
# 135 GLN HB- 135 GLN HN 3.50 (# 1438:10 Unique 2.45, 3.17 A)
&rst
ixpk= 1438, nxpk= 10, iat= -1,2214, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2218,2219,
&end
#
# 0 AMB 10-2:1439 135 GLN HN 5.50 (# 1439:10 Single Ambig)
&rst
ixpk= 1439, nxpk= 10, iat= -1,2214, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2180,2181,2182,2184,2185,2186,2180,2181,2182,2184,
2185,2186,
&end
#
# 136 VAL MGY 136 VAL HN 2.80 (# 1441:10 Unique 1.91, 3.46 A)
&rst
ixpk= 1441, nxpk= 10, iat= -1,2231, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2237,2238,2239,2241,2242,2243,
&end
#
# 136 VAL MGX 136 VAL HN 2.80 (# 1442:10 Unique 1.91, 3.46 A)
&rst
ixpk= 1442, nxpk= 10, iat= -1,2231, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2237,2238,2239,2241,2242,2243,
&end
#
# 0 AMB 10-2:1443 136 VAL HN 3.50 (# 1443:10 Single Ambig)
&rst
ixpk= 1443, nxpk= 10, iat= -1,2231, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2216,2192,
&end
#
# 136 VAL HA 136 VAL HN 4.20 (# 1444:10 Unique 2.74, 2.79 A)
&rst
ixpk= 1444, nxpk= 10, iat=2233,2231, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 133 VAL HA 136 VAL HN 5.50 (# 1445:10 Unique 3.30, 3.60 A)
&rst
ixpk= 1445, nxpk= 10, iat=2176,2231, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 132 PRO HA 136 VAL HN 5.50 (# 1446:10 Unique 3.39, 4.38 A)
&rst
ixpk= 1446, nxpk= 10, iat=2170,2231, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 136 VAL HB 136 VAL HN 3.50 (# 1447:10 Unique 2.38, 3.00 A)
&rst
ixpk= 1447, nxpk= 10, iat=2235,2231, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1448 136 VAL HN 5.50 (# 1448:10 Single Ambig)
&rst
ixpk= 1448, nxpk= 10, iat= -1,2231, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2323,2324,2221,2222,2197,2198,
&end
#
# 0 AMB 10-2:1449 136 VAL HN 5.50 (# 1449:10 Single Ambig)
&rst
ixpk= 1449, nxpk= 10, iat= -1,2231, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2174,2378,2383,
&end
#
# 135 GLN HN 136 VAL HN 2.80 (# 1450:10 Unique 2.08, 2.31 A)
&rst
ixpk= 1450, nxpk= 10, iat=2214,2231, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 137 VAL HN 136 VAL HN 5.50 (# 1451:10 Unique 3.43, 4.56 A)
&rst
ixpk= 1451, nxpk= 10, iat=2247,2231, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 137 VAL HA 137 VAL HN 4.20 (# 1452:10 Unique 2.70, 2.83 A)
&rst
ixpk= 1452, nxpk= 10, iat=2249,2247, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 136 VAL HA 137 VAL HN 3.50 (# 1453:10 Unique 2.23, 2.42 A)
&rst
ixpk= 1453, nxpk= 10, iat=2233,2247, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1455 137 VAL HN 3.50 (# 1455:10 Single Ambig)
&rst
ixpk= 1455, nxpk= 10, iat= -1,2247, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2235,2251,
&end
#
# 0 AMB 10-2:1456 137 VAL HN 3.50 (# 1456:10 Single Ambig)
&rst
ixpk= 1456, nxpk= 10, iat= -1,2247, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2253,2254,2255,2257,2258,2259,2301,2302,
&end
#
# 0 AMB 10-2:1457 137 VAL HN 2.80 (# 1457:10 Single Ambig)
&rst
ixpk= 1457, nxpk= 10, iat= -1,2247, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2237,2238,2239,2241,2242,2243,2253,2254,2255,2257,
2258,2259,
&end
#
# 137 VAL MGX 138 SER HN 3.50 (# 1458:10 Unique 1.91, 3.86 A)
&rst
ixpk= 1458, nxpk= 10, iat= -1,2263, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2253,2254,2255,2257,2258,2259,
&end
#
# 137 VAL MGY 138 SER HN 2.80 (# 1459:10 Unique 1.91, 3.86 A)
&rst
ixpk= 1459, nxpk= 10, iat= -1,2263, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2253,2254,2255,2257,2258,2259,
&end
#
# 0 AMB 10-2:1460 138 SER HN 5.50 (# 1460:10 Single Ambig)
&rst
ixpk= 1460, nxpk= 10, iat= -1,2263, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2320,2321,2323,2324,
&end
#
# 137 VAL HB 138 SER HN 3.50 (# 1461:10 Unique 2.38, 3.79 A)
&rst
ixpk= 1461, nxpk= 10, iat=2251,2263, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 138 SER HA 138 SER HN 3.50 (# 1462:10 Unique 2.76, 2.82 A)
&rst
ixpk= 1462, nxpk= 10, iat=2265,2263, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1463 138 SER HN 2.80 (# 1463:10 Single Ambig)
&rst
ixpk= 1463, nxpk= 10, iat= -1,2263, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2267,2268,2267,2268,
&end
#
# 137 VAL HA 138 SER HN 2.80 (# 1464:10 Unique 2.14, 2.27 A)
&rst
ixpk= 1464, nxpk= 10, iat=2249,2263, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 137 VAL HN 138 SER HN 5.50 (# 1466:10 Unique 3.83, 4.56 A)
&rst
ixpk= 1466, nxpk= 10, iat=2247,2263, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 139 PHE HD 139 PHE HN 3.50 (# 1467:10 Unique 2.32, 3.61 A)
&rst
ixpk= 1467, nxpk= 10, iat= -1,2274, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2282,2290,
&end
#
# 139 PHE HB+ 139 PHE HN 5.50 (# 1469:10 Unique 2.11, 3.06 A)
&rst
ixpk= 1469, nxpk= 10, iat= -1,2274, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2278,2279,
&end
#
# 139 PHE HB- 139 PHE HN 4.20 (# 1470:10 Unique 2.11, 3.06 A)
&rst
ixpk= 1470, nxpk= 10, iat= -1,2274, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2278,2279,
&end
#
# 137 VAL MGY 139 PHE HN 4.20 (# 1471:10 Unique 1.92, 3.53 A)
&rst
ixpk= 1471, nxpk= 10, iat= -1,2274, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=2253,2254,2255,2257,2258,2259,
&end
#
# 0 AMB 10-2:1472 140 LYS HN 3.50 (# 1472:10 Single Ambig)
&rst
ixpk= 1472, nxpk= 10, iat= -1,2294, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2253,2254,2255,2257,2258,2259,2301,2302,
&end
#
# 140 LYS HB- 140 LYS HN 5.50 (# 1473:10 Unique 2.28, 3.14 A)
&rst
ixpk= 1473, nxpk= 10, iat= -1,2294, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2298,2299,
&end
#
# 140 LYS HB+ 140 LYS HN 4.20 (# 1474:10 Unique 2.28, 3.14 A)
&rst
ixpk= 1474, nxpk= 10, iat= -1,2294, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2298,2299,
&end
#
# 141 ARG HB+ 140 LYS HN 5.50 (# 1475:10 Unique 3.69, 4.59 A)
&rst
ixpk= 1475, nxpk= 10, iat= -1,2294, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2320,2321,
&end
#
# 139 PHE HB- 140 LYS HN 5.50 (# 1476:10 Unique 2.80, 3.59 A)
&rst
ixpk= 1476, nxpk= 10, iat= -1,2294, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2278,2279,
&end
#
# 140 LYS HA 140 LYS HN 5.50 (# 1477:10 Unique 2.86, 2.93 A)
&rst
ixpk= 1477, nxpk= 10, iat=2296,2294, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 141 ARG HN 140 LYS HN 3.50 (# 1479:10 Unique 1.89, 2.32 A)
&rst
ixpk= 1479, nxpk= 10, iat=2316,2294, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 142 ASP HN 141 ARG HN 4.20 (# 1480:10 Unique 2.42, 2.46 A)
&rst
ixpk= 1480, nxpk= 10, iat=2340,2316, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 140 LYS HN 141 ARG HN 3.50 (# 1481:10 Unique 1.89, 2.32 A)
&rst
ixpk= 1481, nxpk= 10, iat=2294,2316, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 140 LYS HA 141 ARG HN 5.50 (# 1484:10 Unique 2.67, 2.97 A)
&rst
ixpk= 1484, nxpk= 10, iat=2296,2316, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 141 ARG HA 141 ARG HN 4.20 (# 1485:10 Unique 2.86, 2.87 A)
&rst
ixpk= 1485, nxpk= 10, iat=2318,2316, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 141 ARG HB+ 141 ARG HN 2.80 (# 1486:10 Unique 2.10, 2.87 A)
&rst
ixpk= 1486, nxpk= 10, iat= -1,2316, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2320,2321,
&end
#
# 0 AMB 10-2:1487 141 ARG HN 3.50 (# 1487:10 Single Ambig)
&rst
ixpk= 1487, nxpk= 10, iat= -1,2316, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2323,2324,2320,2321,
&end
#
# 141 ARG HG- 141 ARG HN 3.50 (# 1488:10 Unique 1.93, 3.42 A)
&rst
ixpk= 1488, nxpk= 10, iat= -1,2316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2323,2324,
&end
#
# 0 AMB 10-2:1489 141 ARG HN 4.20 (# 1489:10 Single Ambig)
&rst
ixpk= 1489, nxpk= 10, iat= -1,2316, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=2237,2238,2239,2241,2242,2243,2253,2254,2255,2257,
2258,2259,
&end
#
# 155 VAL MGX 156 MET HN 3.50 (# 1490:10 Unique 2.02, 4.37 A)
&rst
ixpk= 1490, nxpk= 10, iat= -1,2580, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2570,2571,2572,2574,2575,2576,
&end
#
# 155 VAL MGY 156 MET HN 3.50 (# 1491:10 Unique 2.02, 4.37 A)
&rst
ixpk= 1491, nxpk= 10, iat= -1,2580, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2570,2571,2572,2574,2575,2576,
&end
#
# 0 AMB 10-2:1492 156 MET HN 2.80 (# 1492:10 Single Ambig)
&rst
ixpk= 1492, nxpk= 10, iat= -1,2580, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2568,2612,2613,
&end
#
# 156 MET HB+ 156 MET HN 2.80 (# 1493:10 Unique 2.53, 3.09 A)
&rst
ixpk= 1493, nxpk= 10, iat= -1,2580, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2584,2585,
&end
#
# 156 MET HG- 156 MET HN 3.50 (# 1494:10 Unique 1.95, 2.82 A)
&rst
ixpk= 1494, nxpk= 10, iat= -1,2580, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2587,2588,
&end
#
# 156 MET HG+ 156 MET HN 3.50 (# 1495:10 Unique 1.95, 2.82 A)
&rst
ixpk= 1495, nxpk= 10, iat= -1,2580, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2587,2588,
&end
#
# 142 ASP HB+ 142 ASP HN 2.80 (# 1496:10 Unique 2.25, 3.00 A)
&rst
ixpk= 1496, nxpk= 10, iat= -1,2340, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2344,2345,
&end
#
# 141 ARG HA 142 ASP HN 5.50 (# 1497:10 Unique 3.50, 3.52 A)
&rst
ixpk= 1497, nxpk= 10, iat=2318,2340, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1498 0 AMB 10-1:1498 4.20 (# 1498:10 Double Ambig)
&rst
ixpk= 1498, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=2296,2601,2602,
igr2=2340,2580,
&end
#
# 156 MET HA 156 MET HN 2.80 (# 1499:10 Unique 2.77, 2.79 A)
&rst
ixpk= 1499, nxpk= 10, iat=2582,2580, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 142 ASP HA 142 ASP HN 3.50 (# 1500:10 Unique 2.80, 2.82 A)
&rst
ixpk= 1500, nxpk= 10, iat=2342,2340, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 141 ARG HN 142 ASP HN 3.50 (# 1502:10 Unique 2.42, 2.46 A)
&rst
ixpk= 1502, nxpk= 10, iat=2316,2340, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1503 0 AMB 10-1:1503 2.80 (# 1503:10 Double Ambig)
&rst
ixpk= 1503, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2597,2294,
igr2=2580,2340,
&end
#
# 143 VAL HN 142 ASP HN 2.80 (# 1504:10 Unique 2.56, 2.71 A)
&rst
ixpk= 1504, nxpk= 10, iat=2352,2340, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 145 ARG HN 142 ASP HN 5.50 (# 1505:10 Unique 4.49, 4.55 A)
&rst
ixpk= 1505, nxpk= 10, iat=2389,2340, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 142 ASP HN 143 VAL HN 3.50 (# 1506:10 Unique 2.56, 2.71 A)
&rst
ixpk= 1506, nxpk= 10, iat=2340,2352, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 144 TYR HN 143 VAL HN 4.20 (# 1507:10 Unique 2.62, 2.72 A)
&rst
ixpk= 1507, nxpk= 10, iat=2368,2352, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 142 ASP HA 143 VAL HN 5.50 (# 1508:10 Unique 3.54, 3.56 A)
&rst
ixpk= 1508, nxpk= 10, iat=2342,2352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 140 LYS HA 143 VAL HN 5.50 (# 1509:10 Unique 3.25, 3.42 A)
&rst
ixpk= 1509, nxpk= 10, iat=2296,2352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 143 VAL HA 143 VAL HN 3.50 (# 1510:10 Unique 2.80, 2.81 A)
&rst
ixpk= 1510, nxpk= 10, iat=2354,2352, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 142 ASP HB+ 143 VAL HN 3.50 (# 1511:10 Unique 2.37, 3.05 A)
&rst
ixpk= 1511, nxpk= 10, iat= -1,2352, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2344,2345,
&end
#
# 143 VAL HB 143 VAL HN 2.80 (# 1512:10 Unique 2.62, 2.68 A)
&rst
ixpk= 1512, nxpk= 10, iat=2356,2352, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 143 VAL MGY 143 VAL HN 2.80 (# 1513:10 Unique 1.81, 3.65 A)
&rst
ixpk= 1513, nxpk= 10, iat= -1,2352, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2358,2359,2360,2362,2363,2364,
&end
#
# 143 VAL MGY 144 TYR HN 3.50 (# 1514:10 Unique 1.83, 3.43 A)
&rst
ixpk= 1514, nxpk= 10, iat= -1,2368, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2358,2359,2360,2362,2363,2364,
&end
#
# 0 AMB 10-2:1515 144 TYR HN 4.20 (# 1515:10 Single Ambig)
&rst
ixpk= 1515, nxpk= 10, iat= -1,2368, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2356,2235,
&end
#
# 144 TYR HB- 144 TYR HN 4.20 (# 1516:10 Unique 2.07, 2.80 A)
&rst
ixpk= 1516, nxpk= 10, iat= -1,2368, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2372,2373,
&end
#
# 142 ASP HB+ 144 TYR HN 5.50 (# 1517:10 Unique 4.85, 5.37 A)
&rst
ixpk= 1517, nxpk= 10, iat= -1,2368, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2344,2345,
&end
#
# 144 TYR HB+ 144 TYR HN 4.20 (# 1518:10 Unique 2.07, 2.80 A)
&rst
ixpk= 1518, nxpk= 10, iat= -1,2368, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2372,2373,
&end
#
# 141 ARG HA 144 TYR HN 5.50 (# 1519:10 Unique 3.48, 3.65 A)
&rst
ixpk= 1519, nxpk= 10, iat=2318,2368, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 144 TYR HA 144 TYR HN 4.20 (# 1520:10 Unique 2.80, 2.83 A)
&rst
ixpk= 1520, nxpk= 10, iat=2370,2368, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 144 TYR HD 144 TYR HN 3.50 (# 1521:10 Unique 2.44, 3.94 A)
&rst
ixpk= 1521, nxpk= 10, iat= -1,2368, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2376,2385,
&end
#
# 144 TYR HE 144 TYR HN 5.50 (# 1522:10 Unique 4.88, 5.92 A)
&rst
ixpk= 1522, nxpk= 10, iat= -1,2368, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2378,2383,
&end
#
# 143 VAL HN 144 TYR HN 4.20 (# 1523:10 Unique 2.62, 2.72 A)
&rst
ixpk= 1523, nxpk= 10, iat=2352,2368, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 145 ARG HN 144 TYR HN 4.20 (# 1524:10 Unique 2.51, 2.56 A)
&rst
ixpk= 1524, nxpk= 10, iat=2389,2368, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 144 TYR HN 145 ARG HN 4.20 (# 1525:10 Unique 2.51, 2.56 A)
&rst
ixpk= 1525, nxpk= 10, iat=2368,2389, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:1526 145 ARG HN 5.50 (# 1526:10 Single Ambig)
&rst
ixpk= 1526, nxpk= 10, iat= -1,2389, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2340,2453,
&end
#
# 146 ARG HN 145 ARG HN 4.20 (# 1527:10 Unique 2.49, 2.55 A)
&rst
ixpk= 1527, nxpk= 10, iat=2413,2389, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 144 TYR HD 145 ARG HN 5.50 (# 1528:10 Unique 4.68, 5.25 A)
&rst
ixpk= 1528, nxpk= 10, iat= -1,2389, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2376,2385,
&end
#
# 142 ASP HA 145 ARG HN 5.50 (# 1530:10 Unique 3.43, 3.52 A)
&rst
ixpk= 1530, nxpk= 10, iat=2342,2389, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 145 ARG HA 145 ARG HN 3.50 (# 1531:10 Unique 2.81, 2.84 A)
&rst
ixpk= 1531, nxpk= 10, iat=2391,2389, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 146 ARG HD+ 145 ARG HN 5.50 (# 1532:10 Unique 4.28, 4.78 A)
&rst
ixpk= 1532, nxpk= 10, iat= -1,2389, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2423,2424,
&end
#
# 0 AMB 10-2:1533 145 ARG HN 5.50 (# 1533:10 Single Ambig)
&rst
ixpk= 1533, nxpk= 10, iat= -1,2389, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2344,2345,2439,
&end
#
# 145 ARG HB+ 145 ARG HN 2.80 (# 1534:10 Unique 2.15, 2.70 A)
&rst
ixpk= 1534, nxpk= 10, iat= -1,2389, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2393,2394,
&end
#
# 0 AMB 10-2:1535 145 ARG HN 4.20 (# 1535:10 Single Ambig)
&rst
ixpk= 1535, nxpk= 10, iat= -1,2389, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1=2396,2397,2323,2324,
&end
#
# 145 ARG HG- 145 ARG HN 5.50 (# 1536:10 Unique 2.79, 3.96 A)
&rst
ixpk= 1536, nxpk= 10, iat= -1,2389, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2396,2397,
&end
#
# 0 AMB 10-2:1537 145 ARG HN 4.20 (# 1537:10 Single Ambig)
&rst
ixpk= 1537, nxpk= 10, iat= -1,2389, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1=2180,2181,2182,2184,2185,2186,2180,2181,2182,2184,
2185,2186,2358,2359,2360,2362,2363,2364,
&end
#
# 0 AMB 10-2:1538 146 ARG HN 3.50 (# 1538:10 Single Ambig)
&rst
ixpk= 1538, nxpk= 10, iat= -1,2413, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
igr1=1189,1190,1191,1193,1194,1195,2180,2181,2182,2184,
2185,2186,2358,2359,2360,2362,2363,2364,
&end
#
# 147 VAL HB 146 ARG HN 5.50 (# 1539:10 Unique 4.60, 4.92 A)
&rst
ixpk= 1539, nxpk= 10, iat=2441,2413, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1540 0 AMB 10-1:1540 2.80 (# 1540:10 Double Ambig)
&rst
ixpk= 1540, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=2396,2397,2323,2324,2320,2321,2457,2458,
igr2=2413,2274,
&end
#
# 146 ARG HB+ 146 ARG HN 2.80 (# 1541:10 Unique 2.10, 2.78 A)
&rst
ixpk= 1541, nxpk= 10, iat= -1,2413, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2417,2418,
&end
#
# 147 VAL HA 146 ARG HN 5.50 (# 1542:10 Unique 5.17, 5.21 A)
&rst
ixpk= 1542, nxpk= 10, iat=2439,2413, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 146 ARG HD+ 146 ARG HN 3.50 (# 1543:10 Unique 2.41, 3.04 A)
&rst
ixpk= 1543, nxpk= 10, iat= -1,2413, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2423,2424,
&end
#
# 143 VAL HA 146 ARG HN 5.50 (# 1544:10 Unique 3.42, 3.56 A)
&rst
ixpk= 1544, nxpk= 10, iat=2354,2413, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 146 ARG HA 146 ARG HN 2.80 (# 1545:10 Unique 2.83, 2.85 A)
&rst
ixpk= 1545, nxpk= 10, iat=2415,2413, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 147 VAL HN 146 ARG HN 3.50 (# 1546:10 Unique 2.55, 2.60 A)
&rst
ixpk= 1546, nxpk= 10, iat=2437,2413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 138 SER HN 139 PHE HN 5.50 (# 1547:10 Unique 2.44, 2.59 A)
&rst
ixpk= 1547, nxpk= 10, iat=2263,2274, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 145 ARG HN 146 ARG HN 3.50 (# 1548:10 Unique 2.49, 2.55 A)
&rst
ixpk= 1548, nxpk= 10, iat=2389,2413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 146 ARG HN 147 VAL HN 3.50 (# 1550:10 Unique 2.55, 2.60 A)
&rst
ixpk= 1550, nxpk= 10, iat=2413,2437, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1551 147 VAL HN 5.50 (# 1551:10 Single Ambig)
&rst
ixpk= 1551, nxpk= 10, iat= -1,2437, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=2376,2385,1629,2515,2523,
&end
#
# 146 ARG HA 147 VAL HN 5.50 (# 1552:10 Unique 3.54, 3.55 A)
&rst
ixpk= 1552, nxpk= 10, iat=2415,2437, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 144 TYR HA 147 VAL HN 4.20 (# 1553:10 Unique 3.36, 3.59 A)
&rst
ixpk= 1553, nxpk= 10, iat=2370,2437, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:1554 147 VAL HN 5.50 (# 1554:10 Single Ambig)
&rst
ixpk= 1554, nxpk= 10, iat= -1,2437, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2423,2424,2511,2512,
&end
#
# 147 VAL HA 147 VAL HN 4.20 (# 1555:10 Unique 2.78, 2.79 A)
&rst
ixpk= 1555, nxpk= 10, iat=2439,2437, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:1556 147 VAL HN 5.50 (# 1556:10 Single Ambig)
&rst
ixpk= 1556, nxpk= 10, iat= -1,2437, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2460,2461,2474,2475,
&end
#
# 146 ARG HB+ 147 VAL HN 2.80 (# 1557:10 Unique 2.70, 2.92 A)
&rst
ixpk= 1557, nxpk= 10, iat= -1,2437, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2417,2418,
&end
#
# 0 AMB 10-2:1558 147 VAL HN 5.50 (# 1558:10 Single Ambig)
&rst
ixpk= 1558, nxpk= 10, iat= -1,2437, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2457,2458,2420,2421,2496,2497,
&end
#
# 147 VAL HB 147 VAL HN 2.80 (# 1559:10 Unique 2.44, 2.56 A)
&rst
ixpk= 1559, nxpk= 10, iat=2441,2437, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:1560 147 VAL HN 3.50 (# 1560:10 Single Ambig)
&rst
ixpk= 1560, nxpk= 10, iat= -1,2437, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=1189,1190,1191,1193,1194,1195,2358,2359,2360,2362,
2363,2364,
&end
#
# 147 VAL MGX 147 VAL HN 3.50 (# 1561:10 Unique 1.93, 3.74 A)
&rst
ixpk= 1561, nxpk= 10, iat= -1,2437, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=2443,2444,2445,2447,2448,2449,
&end
#
# 147 VAL MGY 147 VAL HN 2.80 (# 1562:10 Unique 1.93, 3.74 A)
&rst
ixpk= 1562, nxpk= 10, iat= -1,2437, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2443,2444,2445,2447,2448,2449,
&end
#
# 147 VAL MGY 148 MET HN 4.20 (# 1563:10 Unique 1.94, 3.91 A)
&rst
ixpk= 1563, nxpk= 10, iat= -1,2453, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=2443,2444,2445,2447,2448,2449,
&end
#
# 147 VAL MGX 148 MET HN 4.20 (# 1564:10 Unique 1.94, 3.91 A)
&rst
ixpk= 1564, nxpk= 10, iat= -1,2453, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 10-2:1565 148 MET HN 4.20 (# 1565:10 Single Ambig)
&rst
ixpk= 1565, nxpk= 10, iat= -1,2453, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1=2180,2181,2182,2184,2185,2186,2180,2181,2182,2184,
2185,2186,2358,2359,2360,2362,2363,2364,
&end
#
# 147 VAL HB 148 MET HN 3.50 (# 1566:10 Unique 2.52, 3.29 A)
&rst
ixpk= 1566, nxpk= 10, iat=2441,2453, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 148 MET ME 148 MET HN 4.20 (# 1567:10 Unique 4.46, 5.46 A)
&rst
ixpk= 1567, nxpk= 10, iat= -1,2453, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=2464,2465,2466,
&end
#
# 148 MET HB+ 148 MET HN 4.20 (# 1568:10 Unique 2.27, 3.03 A)
&rst
ixpk= 1568, nxpk= 10, iat= -1,2453, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2457,2458,
&end
#
# 0 AMB 10-2:1569 148 MET HN 4.20 (# 1569:10 Single Ambig)
&rst
ixpk= 1569, nxpk= 10, iat= -1,2453, r1= 0.00, r2= 1.80, r3= 5.49, r4= 6.24,
igr1=2496,2497,2420,2421,1187,
&end
#
# 148 MET HG- 148 MET HN 3.50 (# 1570:10 Unique 2.20, 3.04 A)
&rst
ixpk= 1570, nxpk= 10, iat= -1,2453, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2460,2461,
&end
#
# 148 MET HG+ 148 MET HN 4.20 (# 1571:10 Unique 2.20, 3.04 A)
&rst
ixpk= 1571, nxpk= 10, iat= -1,2453, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2460,2461,
&end
#
# 147 VAL HA 148 MET HN 5.50 (# 1572:10 Unique 3.54, 3.55 A)
&rst
ixpk= 1572, nxpk= 10, iat=2439,2453, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 145 ARG HA 148 MET HN 5.50 (# 1573:10 Unique 3.74, 3.81 A)
&rst
ixpk= 1573, nxpk= 10, iat=2391,2453, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 148 MET HA 148 MET HN 5.50 (# 1574:10 Unique 2.84, 2.87 A)
&rst
ixpk= 1574, nxpk= 10, iat=2455,2453, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1575 148 MET HN 5.50 (# 1575:10 Single Ambig)
&rst
ixpk= 1575, nxpk= 10, iat= -1,2453, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2130,2214,
&end
#
# 0 AMB 10-2:1576 148 MET HN 4.20 (# 1576:10 Single Ambig)
&rst
ixpk= 1576, nxpk= 10, iat= -1,2453, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2413,2527,
&end
#
# 149 LYS HN 148 MET HN 2.80 (# 1577:10 Unique 2.36, 2.44 A)
&rst
ixpk= 1577, nxpk= 10, iat=2470,2453, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 150 GLU HN 149 LYS HN 4.20 (# 1578:10 Unique 2.52, 2.55 A)
&rst
ixpk= 1578, nxpk= 10, iat=2492,2470, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 149 LYS HA 149 LYS HN 5.50 (# 1579:10 Unique 2.82, 2.84 A)
&rst
ixpk= 1579, nxpk= 10, iat=2472,2470, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 149 LYS HB- 149 LYS HN 3.50 (# 1581:10 Unique 2.09, 2.55 A)
&rst
ixpk= 1581, nxpk= 10, iat= -1,2470, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2474,2475,
&end
#
# 149 LYS HB+ 149 LYS HN 2.80 (# 1582:10 Unique 2.09, 2.55 A)
&rst
ixpk= 1582, nxpk= 10, iat= -1,2470, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2474,2475,
&end
#
# 0 AMB 10-2:1583 149 LYS HN 4.20 (# 1583:10 Single Ambig)
&rst
ixpk= 1583, nxpk= 10, iat= -1,2470, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=2457,2458,2477,2478,2480,2481,
&end
#
# 0 AMB 10-2:1584 149 LYS HN 5.50 (# 1584:10 Single Ambig)
&rst
ixpk= 1584, nxpk= 10, iat= -1,2470, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1=2477,2478,2396,2397,2531,2532,2533,
&end
#
# 147 VAL MGX 150 GLU HN 5.50 (# 1585:10 Unique 4.61, 6.22 A)
&rst
ixpk= 1585, nxpk= 10, iat= -1,2492, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2443,2444,2445,2447,2448,2449,
&end
#
# 150 GLU HB- 150 GLU HN 2.80 (# 1586:10 Unique 2.07, 2.74 A)
&rst
ixpk= 1586, nxpk= 10, iat= -1,2492, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2496,2497,
&end
#
# 150 GLU HB+ 150 GLU HN 2.80 (# 1587:10 Unique 2.07, 2.74 A)
&rst
ixpk= 1587, nxpk= 10, iat= -1,2492, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2496,2497,
&end
#
# 150 GLU HG- 150 GLU HN 3.80 (# 1588:10 Unique 3.02, 3.98 A)
&rst
ixpk= 1588, nxpk= 10, iat= -1,2492, r1= 0.00, r2= 1.80, r3= 4.27, r4= 5.02,
igr1=2499,2500,
&end
#
# 150 GLU HG+ 150 GLU HN 4.20 (# 1589:10 Unique 3.02, 3.98 A)
&rst
ixpk= 1589, nxpk= 10, iat= -1,2492, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2499,2500,
&end
#
# 147 VAL HA 150 GLU HN 5.50 (# 1590:10 Unique 3.58, 3.82 A)
&rst
ixpk= 1590, nxpk= 10, iat=2439,2492, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 151 PHE HB+ 150 GLU HN 5.50 (# 1591:10 Unique 4.59, 5.34 A)
&rst
ixpk= 1591, nxpk= 10, iat= -1,2492, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2511,2512,
&end
#
# 150 GLU HA 150 GLU HN 3.50 (# 1592:10 Unique 2.79, 2.87 A)
&rst
ixpk= 1592, nxpk= 10, iat=2494,2492, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 149 LYS HA 150 GLU HN 5.50 (# 1593:10 Unique 3.50, 3.52 A)
&rst
ixpk= 1593, nxpk= 10, iat=2472,2492, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 151 PHE HD 150 GLU HN 5.50 (# 1594:10 Unique 4.94, 5.43 A)
&rst
ixpk= 1594, nxpk= 10, iat= -1,2492, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2515,2523,
&end
#
# 149 LYS HN 150 GLU HN 3.50 (# 1595:10 Unique 2.52, 2.55 A)
&rst
ixpk= 1595, nxpk= 10, iat=2470,2492, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 147 VAL HN 150 GLU HN 5.50 (# 1596:10 Unique 4.90, 5.05 A)
&rst
ixpk= 1596, nxpk= 10, iat=2437,2492, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 152 ALA MB 152 ALA HN 2.80 (# 1597:10 Unique 2.10, 2.88 A)
&rst
ixpk= 1597, nxpk= 10, iat= -1,2527, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2531,2532,2533,
&end
#
# 151 PHE HB+ 152 ALA HN 5.50 (# 1598:10 Unique 2.62, 3.26 A)
&rst
ixpk= 1598, nxpk= 10, iat= -1,2527, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2511,2512,
&end
#
# 152 ALA HA 152 ALA HN 3.50 (# 1599:10 Unique 2.76, 2.80 A)
&rst
ixpk= 1599, nxpk= 10, iat=2529,2527, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 150 GLU HA 152 ALA HN 5.50 (# 1600:10 Unique 3.97, 4.42 A)
&rst
ixpk= 1600, nxpk= 10, iat=2494,2527, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 151 PHE HA 152 ALA HN 5.50 (# 1602:10 Unique 3.40, 3.51 A)
&rst
ixpk= 1602, nxpk= 10, iat=2509,2527, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 151 PHE HD 152 ALA HN 5.50 (# 1604:10 Unique 4.80, 4.97 A)
&rst
ixpk= 1604, nxpk= 10, iat= -1,2527, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2515,2523,
&end
#
# 151 PHE HN 152 ALA HN 2.80 (# 1605:10 Unique 2.23, 2.46 A)
&rst
ixpk= 1605, nxpk= 10, iat=2507,2527, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 153 SER HN 152 ALA HN 4.20 (# 1606:10 Unique 2.50, 2.66 A)
&rst
ixpk= 1606, nxpk= 10, iat=2537,2527, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 152 ALA HN 153 SER HN 2.80 (# 1608:10 Unique 2.50, 2.66 A)
&rst
ixpk= 1608, nxpk= 10, iat=2527,2537, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 154 VAL HN 153 SER HN 2.80 (# 1609:10 Unique 2.46, 2.62 A)
&rst
ixpk= 1609, nxpk= 10, iat=2548,2537, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:1612 153 SER HN 2.80 (# 1612:10 Single Ambig)
&rst
ixpk= 1612, nxpk= 10, iat= -1,2537, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2539,2494,
&end
#
# 153 SER HB+ 153 SER HN 2.80 (# 1613:10 Unique 2.15, 2.64 A)
&rst
ixpk= 1613, nxpk= 10, iat= -1,2537, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2541,2542,
&end
#
# 152 ALA HA 153 SER HN 4.20 (# 1614:10 Unique 3.41, 3.44 A)
&rst
ixpk= 1614, nxpk= 10, iat=2529,2537, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:1615 153 SER HN 5.50 (# 1615:10 Single Ambig)
&rst
ixpk= 1615, nxpk= 10, iat= -1,2537, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2584,2585,2474,2475,
&end
#
# 0 AMB 10-2:1616 153 SER HN 5.50 (# 1616:10 Single Ambig)
&rst
ixpk= 1616, nxpk= 10, iat= -1,2537, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2550,2096,
&end
#
# 0 AMB 10-2:1617 153 SER HN 2.80 (# 1617:10 Single Ambig)
&rst
ixpk= 1617, nxpk= 10, iat= -1,2537, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2531,2532,2533,2568,
&end
#
# 0 AMB 10-2:1618 153 SER HN 4.20 (# 1618:10 Single Ambig)
&rst
ixpk= 1618, nxpk= 10, iat= -1,2537, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=2554,2555,2556,2558,2559,2560,2570,2571,2572,2574,
2575,2576,
&end
#
# 154 VAL MGY 153 SER HN 5.50 (# 1619:10 Unique 3.40, 5.91 A)
&rst
ixpk= 1619, nxpk= 10, iat= -1,2537, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2554,2555,2556,2558,2559,2560,
&end
#
# 101 LEU MDY 153 SER HN 5.50 (# 1620:10 Unique 5.01, 7.26 A)
&rst
ixpk= 1620, nxpk= 10, iat= -1,2537, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 101 LEU MDY 154 VAL HN 4.20 (# 1621:10 Unique 3.58, 5.84 A)
&rst
ixpk= 1621, nxpk= 10, iat= -1,2548, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 154 VAL MGY 154 VAL HN 2.80 (# 1622:10 Unique 1.76, 3.61 A)
&rst
ixpk= 1622, nxpk= 10, iat= -1,2548, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2554,2555,2556,2558,2559,2560,
&end
#
# 154 VAL MGX 154 VAL HN 2.80 (# 1623:10 Unique 1.76, 3.61 A)
&rst
ixpk= 1623, nxpk= 10, iat= -1,2548, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2554,2555,2556,2558,2559,2560,
&end
#
# 0 AMB 10-2:1625 154 VAL HN 4.20 (# 1625:10 Single Ambig)
&rst
ixpk= 1625, nxpk= 10, iat= -1,2548, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=2568,2531,2532,2533,2477,2478,
&end
#
# 0 AMB 10-2:1626 154 VAL HN 5.50 (# 1626:10 Single Ambig)
&rst
ixpk= 1626, nxpk= 10, iat= -1,2548, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
igr1=2612,2613,2477,2478,2480,2481,2615,
&end
#
# 154 VAL HB 154 VAL HN 2.80 (# 1627:10 Unique 2.39, 2.78 A)
&rst
ixpk= 1627, nxpk= 10, iat=2552,2548, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 152 ALA HA 154 VAL HN 5.50 (# 1628:10 Unique 3.91, 4.14 A)
&rst
ixpk= 1628, nxpk= 10, iat=2529,2548, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 154 VAL HA 154 VAL HN 3.50 (# 1629:10 Unique 2.81, 2.84 A)
&rst
ixpk= 1629, nxpk= 10, iat=2550,2548, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 153 SER HB+ 154 VAL HN 3.50 (# 1630:10 Unique 2.47, 3.32 A)
&rst
ixpk= 1630, nxpk= 10, iat= -1,2548, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2541,2542,
&end
#
# 0 AMB 10-2:1631 154 VAL HN 4.20 (# 1631:10 Single Ambig)
&rst
ixpk= 1631, nxpk= 10, iat= -1,2548, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2539,2494,
&end
#
# 151 PHE HA 154 VAL HN 5.50 (# 1633:10 Unique 3.30, 3.55 A)
&rst
ixpk= 1633, nxpk= 10, iat=2509,2548, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 151 PHE HD 154 VAL HN 5.50 (# 1634:10 Unique 5.17, 6.55 A)
&rst
ixpk= 1634, nxpk= 10, iat= -1,2548, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2515,2523,
&end
#
# 156 MET HN 154 VAL HN 5.50 (# 1635:10 Unique 3.98, 4.13 A)
&rst
ixpk= 1635, nxpk= 10, iat=2580,2548, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 153 SER HN 154 VAL HN 3.50 (# 1636:10 Unique 2.46, 2.62 A)
&rst
ixpk= 1636, nxpk= 10, iat=2537,2548, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 153 SER HN 155 VAL HN 5.50 (# 1637:10 Unique 3.89, 4.14 A)
&rst
ixpk= 1637, nxpk= 10, iat=2537,2564, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 156 MET HN 155 VAL HN 3.50 (# 1638:10 Unique 2.66, 2.73 A)
&rst
ixpk= 1638, nxpk= 10, iat=2580,2564, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1640 155 VAL HN 5.50 (# 1640:10 Single Ambig)
&rst
ixpk= 1640, nxpk= 10, iat= -1,2564, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2582,2610,
&end
#
# 0 AMB 10-2:1641 155 VAL HN 5.50 (# 1641:10 Single Ambig)
&rst
ixpk= 1641, nxpk= 10, iat= -1,2564, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2541,2542, 301, 302,
&end
#
# 154 VAL HA 155 VAL HN 5.50 (# 1642:10 Unique 3.51, 3.53 A)
&rst
ixpk= 1642, nxpk= 10, iat=2550,2564, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 155 VAL HA 155 VAL HN 3.50 (# 1643:10 Unique 2.76, 2.78 A)
&rst
ixpk= 1643, nxpk= 10, iat=2566,2564, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 154 VAL HB 155 VAL HN 2.80 (# 1644:10 Unique 2.36, 2.73 A)
&rst
ixpk= 1644, nxpk= 10, iat=2552,2564, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:1645 155 VAL HN 2.80 (# 1645:10 Single Ambig)
&rst
ixpk= 1645, nxpk= 10, iat= -1,2564, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2568,2612,2613,
&end
#
# 0 AMB 10-2:1646 155 VAL HN 2.80 (# 1646:10 Single Ambig)
&rst
ixpk= 1646, nxpk= 10, iat= -1,2564, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2570,2571,2572,2574,2575,2576,2554,2555,2556,2558,
2559,2560,
&end
#
# 0 AMB 10-2:1647 155 VAL HN 2.80 (# 1647:10 Single Ambig)
&rst
ixpk= 1647, nxpk= 10, iat= -1,2564, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=2570,2571,2572,2574,2575,2576,2554,2555,2556,2558,
2559,2560,
&end
#
# 156 MET HN 157 SER HN 2.80 (# 1649:10 Unique 2.60, 2.70 A)
&rst
ixpk= 1649, nxpk= 10, iat=2580,2597, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 158 LEU HN 157 SER HN 2.80 (# 1650:10 Unique 2.48, 2.61 A)
&rst
ixpk= 1650, nxpk= 10, iat=2608,2597, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 157 SER HA 157 SER HN 2.80 (# 1652:10 Unique 2.92, 2.94 A)
&rst
ixpk= 1652, nxpk= 10, iat=2599,2597, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:1653 157 SER HN 3.50 (# 1653:10 Single Ambig)
&rst
ixpk= 1653, nxpk= 10, iat= -1,2597, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2582,2610,
&end
#
# 157 SER HB+ 157 SER HN 2.80 (# 1654:10 Unique 2.24, 2.95 A)
&rst
ixpk= 1654, nxpk= 10, iat= -1,2597, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2601,2602,
&end
#
# 154 VAL HA 157 SER HN 4.20 (# 1655:10 Unique 3.32, 3.50 A)
&rst
ixpk= 1655, nxpk= 10, iat=2550,2597, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 155 VAL HA 157 SER HN 5.50 (# 1656:10 Unique 3.75, 4.03 A)
&rst
ixpk= 1656, nxpk= 10, iat=2566,2597, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 156 MET HG+ 157 SER HN 5.50 (# 1657:10 Unique 3.99, 4.64 A)
&rst
ixpk= 1657, nxpk= 10, iat= -1,2597, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2587,2588,
&end
#
# 156 MET HG- 157 SER HN 5.50 (# 1658:10 Unique 3.99, 4.64 A)
&rst
ixpk= 1658, nxpk= 10, iat= -1,2597, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2587,2588,
&end
#
# 156 MET HB+ 157 SER HN 2.80 (# 1659:10 Unique 2.60, 3.32 A)
&rst
ixpk= 1659, nxpk= 10, iat= -1,2597, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2584,2585,
&end
#
# 0 AMB 10-2:1660 157 SER HN 4.20 (# 1660:10 Single Ambig)
&rst
ixpk= 1660, nxpk= 10, iat= -1,2597, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=2612,2613,2615,
&end
#
# 0 AMB 10-2:1661 157 SER HN 5.50 (# 1661:10 Single Ambig)
&rst
ixpk= 1661, nxpk= 10, iat= -1,2597, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2612,2613,2568,
&end
#
# 0 AMB 10-2:1662 157 SER HN 5.50 (# 1662:10 Single Ambig)
&rst
ixpk= 1662, nxpk= 10, iat= -1,2597, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2554,2555,2556,2558,2559,2560,2570,2571,2572,2574,
2575,2576,
&end
#
# 0 AMB 10-2:1663 157 SER HN 4.20 (# 1663:10 Single Ambig)
&rst
ixpk= 1663, nxpk= 10, iat= -1,2597, r1= 0.00, r2= 1.80, r3= 7.13, r4= 7.88,
igr1=2554,2555,2556,2558,2559,2560,2570,2571,2572,2574,
2575,2576,2617,2618,2619,2621,2622,2623,2617,2618,
2619,2621,2622,2623,
&end
#
# 0 AMB 10-2:1665 158 LEU HN 3.50 (# 1665:10 Single Ambig)
&rst
ixpk= 1665, nxpk= 10, iat= -1,2608, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2570,2571,2572,2574,2575,2576,2617,2618,2619,2621,
2622,2623,
&end
#
# 0 AMB 10-2:1666 158 LEU HN 5.50 (# 1666:10 Single Ambig)
&rst
ixpk= 1666, nxpk= 10, iat= -1,2608, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=2570,2571,2572,2574,2575,2576,2554,2555,2556,2558,
2559,2560,1073,1074,1075,1077,1078,1079,
&end
#
# 158 LEU HB- 158 LEU HN 2.80 (# 1667:10 Unique 2.29, 2.82 A)
&rst
ixpk= 1667, nxpk= 10, iat= -1,2608, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2612,2613,
&end
#
# 158 LEU HB+ 158 LEU HN 2.80 (# 1668:10 Unique 2.29, 2.82 A)
&rst
ixpk= 1668, nxpk= 10, iat= -1,2608, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2612,2613,
&end
#
# 159 GLN HB- 158 LEU HN 5.50 (# 1669:10 Unique 4.60, 5.36 A)
&rst
ixpk= 1669, nxpk= 10, iat= -1,2608, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2631,2632,
&end
#
# 0 AMB 10-2:1670 158 LEU HN 5.50 (# 1670:10 Single Ambig)
&rst
ixpk= 1670, nxpk= 10, iat= -1,2608, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2651,2652,2634,2635,2634,2635,
&end
#
# 155 VAL HA 158 LEU HN 4.20 (# 1671:10 Unique 3.30, 3.44 A)
&rst
ixpk= 1671, nxpk= 10, iat=2566,2608, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:1672 158 LEU HN 3.50 (# 1672:10 Single Ambig)
&rst
ixpk= 1672, nxpk= 10, iat= -1,2608, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2601,2602, 301, 302,
&end
#
# 0 AMB 10-2:1673 158 LEU HN 2.80 (# 1673:10 Single Ambig)
&rst
ixpk= 1673, nxpk= 10, iat= -1,2608, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2610,2582,
&end
#
# 157 SER HA 158 LEU HN 3.50 (# 1674:10 Unique 2.85, 2.97 A)
&rst
ixpk= 1674, nxpk= 10, iat=2599,2608, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1676 158 LEU HN 2.80 (# 1676:10 Single Ambig)
&rst
ixpk= 1676, nxpk= 10, iat= -1,2608, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2627,2597,2668,2669,
&end
#
# 160 GLU HN 158 LEU HN 5.50 (# 1677:10 Unique 2.62, 2.84 A)
&rst
ixpk= 1677, nxpk= 10, iat=2644,2608, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1678 158 LEU HN 5.50 (# 1678:10 Single Ambig)
&rst
ixpk= 1678, nxpk= 10, iat= -1,2608, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2659,2580,
&end
#
# 161 ASN HN 159 GLN HN 5.50 (# 1679:10 Unique 4.00, 4.26 A)
&rst
ixpk= 1679, nxpk= 10, iat=2659,2627, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 160 GLU HN 159 GLN HN 2.80 (# 1680:10 Unique 2.42, 2.45 A)
&rst
ixpk= 1680, nxpk= 10, iat=2644,2627, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 158 LEU HN 159 GLN HN 2.80 (# 1681:10 Unique 2.19, 2.44 A)
&rst
ixpk= 1681, nxpk= 10, iat=2608,2627, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:1683 159 GLN HN 2.80 (# 1683:10 Single Ambig)
&rst
ixpk= 1683, nxpk= 10, iat= -1,2627, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2629,2610,2582,
&end
#
# 0 AMB 10-2:1685 159 GLN HN 2.80 (# 1685:10 Single Ambig)
&rst
ixpk= 1685, nxpk= 10, iat= -1,2627, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2634,2635,2634,2635,
&end
#
# 159 GLN HB- 159 GLN HN 2.80 (# 1686:10 Unique 2.32, 2.99 A)
&rst
ixpk= 1686, nxpk= 10, iat= -1,2627, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2631,2632,
&end
#
# 0 AMB 10-2:1687 159 GLN HN 2.80 (# 1687:10 Single Ambig)
&rst
ixpk= 1687, nxpk= 10, iat= -1,2627, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2612,2613,2615,
&end
#
# 158 LEU HB- 159 GLN HN 3.50 (# 1688:10 Unique 2.05, 3.03 A)
&rst
ixpk= 1688, nxpk= 10, iat= -1,2627, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2612,2613,
&end
#
# 0 AMB 10-2:1689 159 GLN HN 3.50 (# 1689:10 Single Ambig)
&rst
ixpk= 1689, nxpk= 10, iat= -1,2627, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2570,2571,2572,2574,2575,2576,2617,2618,2619,2621,
2622,2623,
&end
#
# 0 AMB 10-2:1691 160 GLU HN 5.50 (# 1691:10 Single Ambig)
&rst
ixpk= 1691, nxpk= 10, iat= -1,2644, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 262, 263, 286, 287,1707,1708,
&end
#
# 160 GLU HB- 160 GLU HN 2.80 (# 1692:10 Unique 2.30, 3.00 A)
&rst
ixpk= 1692, nxpk= 10, iat= -1,2644, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2648,2649,
&end
#
# 0 AMB 10-2:1693 160 GLU HN 2.80 (# 1693:10 Single Ambig)
&rst
ixpk= 1693, nxpk= 10, iat= -1,2644, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
igr1=2651,2652,2634,2635,2634,2635,
&end
#
# 160 GLU HB+ 160 GLU HN 2.80 (# 1694:10 Unique 2.30, 3.00 A)
&rst
ixpk= 1694, nxpk= 10, iat= -1,2644, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2648,2649,
&end
#
# 160 GLU HG- 160 GLU HN 2.80 (# 1695:10 Unique 2.22, 3.06 A)
&rst
ixpk= 1695, nxpk= 10, iat= -1,2644, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2651,2652,
&end
#
# 0 AMB 10-2:1696 160 GLU HN 2.80 (# 1696:10 Single Ambig)
&rst
ixpk= 1696, nxpk= 10, iat= -1,2644, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2646,2629,
&end
#
# 158 LEU HN 160 GLU HN 5.50 (# 1698:10 Unique 2.62, 2.84 A)
&rst
ixpk= 1698, nxpk= 10, iat=2608,2644, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1699 160 GLU HN 2.80 (# 1699:10 Single Ambig)
&rst
ixpk= 1699, nxpk= 10, iat= -1,2644, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
igr1=2627,2668,2669,
&end
#
# 161 ASN HN 160 GLU HN 2.80 (# 1700:10 Unique 2.15, 2.37 A)
&rst
ixpk= 1700, nxpk= 10, iat=2659,2644, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 160 GLU HN 161 ASN HN 2.80 (# 1701:10 Unique 2.15, 2.37 A)
&rst
ixpk= 1701, nxpk= 10, iat=2644,2659, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 162 THR HN 161 ASN HN 2.80 (# 1702:10 Unique 2.35, 2.61 A)
&rst
ixpk= 1702, nxpk= 10, iat=2673,2659, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 161 ASN HD2+ 161 ASN HN 4.20 (# 1703:10 Unique 1.89, 2.92 A)
&rst
ixpk= 1703, nxpk= 10, iat= -1,2659, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2668,2669,
&end
#
# 161 ASN HD2- 161 ASN HN 5.50 (# 1705:10 Unique 1.89, 2.92 A)
&rst
ixpk= 1705, nxpk= 10, iat= -1,2659, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2668,2669,
&end
#
# 163 PRO HA 161 ASN HN 5.81 (# 1707:10 Unique 7.44, 7.81 A)
&rst
ixpk= 1707, nxpk= 10, iat=2697,2659, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56, &end
#
# 162 THR HA 161 ASN HN 5.50 (# 1708:10 Unique 4.61, 5.00 A)
&rst
ixpk= 1708, nxpk= 10, iat=2675,2659, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1709 161 ASN HN 3.50 (# 1709:10 Single Ambig)
&rst
ixpk= 1709, nxpk= 10, iat= -1,2659, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2646,2629,
&end
#
# 161 ASN HB+ 161 ASN HN 2.80 (# 1710:10 Unique 2.14, 2.98 A)
&rst
ixpk= 1710, nxpk= 10, iat= -1,2659, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2663,2664,
&end
#
# 161 ASN HB- 161 ASN HN 2.80 (# 1711:10 Unique 2.14, 2.98 A)
&rst
ixpk= 1711, nxpk= 10, iat= -1,2659, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2663,2664,
&end
#
# 160 GLU HG+ 161 ASN HN 4.20 (# 1712:10 Unique 2.27, 4.45 A)
&rst
ixpk= 1712, nxpk= 10, iat= -1,2659, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2651,2652,
&end
#
# 0 AMB 10-2:1713 161 ASN HN 4.20 (# 1713:10 Single Ambig)
&rst
ixpk= 1713, nxpk= 10, iat= -1,2659, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=2631,2632,2584,2585,2691,2692,
&end
#
# 18 ARG HG- 161 ASN HN 5.50 (# 1714:10 Unique 6.56, 8.32 A)
&rst
ixpk= 1714, nxpk= 10, iat= -1,2659, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 265, 266,
&end
#
# 162 THR MG2 162 THR HN 4.20 (# 1717:10 Unique 2.75, 3.94 A)
&rst
ixpk= 1717, nxpk= 10, iat= -1,2673, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=2679,2680,2681,
&end
#
# 0 AMB 10-2:1718 0 AMB 10-1:1718 4.20 (# 1718:10 Double Ambig)
&rst
ixpk= 1718, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1= 817, 818, 829, 830,2648,2649,
igr2= 765,2673,
&end
#
# 0 AMB 10-2:1719 162 THR HN 5.50 (# 1719:10 Single Ambig)
&rst
ixpk= 1719, nxpk= 10, iat= -1,2673, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2651,2652,2634,2635,2694,2695,
&end
#
# 0 AMB 10-2:1720 0 AMB 10-1:1720 3.50 (# 1720:10 Double Ambig)
&rst
ixpk= 1720, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1= 769, 770,2663,2664,
igr2= 765,2673,
&end
#
# 163 PRO HD- 162 THR HN 5.50 (# 1721:10 Unique 4.47, 4.89 A)
&rst
ixpk= 1721, nxpk= 10, iat= -1,2673, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2688,2689,
&end
#
# 163 PRO HD+ 162 THR HN 5.50 (# 1722:10 Unique 4.47, 4.89 A)
&rst
ixpk= 1722, nxpk= 10, iat= -1,2673, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2688,2689,
&end
#
# 162 THR HB 162 THR HN 3.50 (# 1723:10 Unique 3.53, 3.64 A)
&rst
ixpk= 1723, nxpk= 10, iat=2677,2673, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1724 0 AMB 10-1:1724 5.50 (# 1724:10 Double Ambig)
&rst
ixpk= 1724, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2697, 604, 605,
igr2=2673, 765,
&end
#
# 162 THR HA 162 THR HN 3.50 (# 1725:10 Unique 2.28, 2.87 A)
&rst
ixpk= 1725, nxpk= 10, iat=2675,2673, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 161 ASN HN 162 THR HN 2.80 (# 1728:10 Unique 2.35, 2.61 A)
&rst
ixpk= 1728, nxpk= 10, iat=2659,2673, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 164 LYS HA 164 LYS HN 3.50 (# 1729:10 Unique 2.77, 2.87 A)
&rst
ixpk= 1729, nxpk= 10, iat=2703,2701, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 163 PRO HA 164 LYS HN 2.80 (# 1730:10 Unique 2.16, 2.43 A)
&rst
ixpk= 1730, nxpk= 10, iat=2697,2701, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 163 PRO HD+ 164 LYS HN 5.50 (# 1731:10 Unique 5.00, 5.36 A)
&rst
ixpk= 1731, nxpk= 10, iat= -1,2701, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2688,2689,
&end
#
# 163 PRO HB+ 164 LYS HN 5.50 (# 1732:10 Unique 2.11, 3.42 A)
&rst
ixpk= 1732, nxpk= 10, iat= -1,2701, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2694,2695,
&end
#
# 163 PRO HB- 164 LYS HN 5.50 (# 1733:10 Unique 2.11, 3.42 A)
&rst
ixpk= 1733, nxpk= 10, iat= -1,2701, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2694,2695,
&end
#
# 164 LYS HB+ 164 LYS HN 5.50 (# 1734:10 Unique 2.23, 3.18 A)
&rst
ixpk= 1734, nxpk= 10, iat= -1,2701, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2705,2706,
&end
#
# 0 AMB 10-2:1735 164 LYS HN 3.50 (# 1735:10 Single Ambig)
&rst
ixpk= 1735, nxpk= 10, iat= -1,2701, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2711,2712,2705,2706,
&end
#
# 164 LYS HG+ 164 LYS HN 4.20 (# 1736:10 Unique 1.95, 3.16 A)
&rst
ixpk= 1736, nxpk= 10, iat= -1,2701, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2708,2709,
&end
#
# 39 GLY HN 10 ASN HD2- 5.50 (# 1739:10 Unique 4.96, 5.43 A)
&rst
ixpk= 1739, nxpk= 10, iat= 609, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 151, 152,
&end
#
# 39 GLY HN 10 ASN HD2+ 5.50 (# 1740:10 Unique 4.96, 5.43 A)
&rst
ixpk= 1740, nxpk= 10, iat= 609, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 151, 152,
&end
#
# 10 ASN HA 10 ASN HD2+ 5.50 (# 1741:10 Unique 2.20, 3.07 A)
&rst
ixpk= 1741, nxpk= 10, iat= 144, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 151, 152,
&end
#
# 10 ASN HA 10 ASN HD2- 4.20 (# 1742:10 Unique 2.20, 3.07 A)
&rst
ixpk= 1742, nxpk= 10, iat= 144, -1, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr2= 151, 152,
&end
#
# 39 GLY HA+ 10 ASN HD2+ 5.50 (# 1743:10 Unique 3.17, 4.01 A)
&rst
ixpk= 1743, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 611, 612,
igr2= 151, 152,
&end
#
# 39 GLY HA+ 10 ASN HD2- 5.50 (# 1744:10 Unique 3.17, 4.01 A)
&rst
ixpk= 1744, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 611, 612,
igr2= 151, 152,
&end
#
# 39 GLY HA- 10 ASN HD2- 5.50 (# 1745:10 Unique 3.17, 4.01 A)
&rst
ixpk= 1745, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 611, 612,
igr2= 151, 152,
&end
#
# 39 GLY HA- 10 ASN HD2+ 5.50 (# 1746:10 Unique 3.17, 4.01 A)
&rst
ixpk= 1746, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 611, 612,
igr2= 151, 152,
&end
#
# 10 ASN HB- 10 ASN HD2+ 5.50 (# 1747:10 Unique 2.46, 3.47 A)
&rst
ixpk= 1747, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 146, 147,
igr2= 151, 152,
&end
#
# 10 ASN HB+ 10 ASN HD2+ 4.20 (# 1748:10 Unique 2.46, 3.47 A)
&rst
ixpk= 1748, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1= 146, 147,
igr2= 151, 152,
&end
#
# 10 ASN HB- 10 ASN HD2- 5.50 (# 1749:10 Unique 2.46, 3.47 A)
&rst
ixpk= 1749, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 146, 147,
igr2= 151, 152,
&end
#
# 10 ASN HB+ 10 ASN HD2- 5.50 (# 1750:10 Unique 2.46, 3.47 A)
&rst
ixpk= 1750, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 146, 147,
igr2= 151, 152,
&end
#
# 0 AMB 10-2:1751 0 AMB 10-1:1751 5.50 (# 1751:10 Double Ambig)
&rst
ixpk= 1751, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3=11.00, r4=11.75,
igr1=1550,1551,1589,1590, 592, 593,1586,1587,
igr2= 151, 152, 151, 152, 151, 152, 151, 152,
&end
#
# 0 AMB 10-2:1752 10 ASN HD2- 5.50 (# 1752:10 Single Ambig)
&rst
ixpk= 1752, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1550,1551,1589,1590, 592, 593,1586,1587,
igr2= 151, 152,
&end
#
# 0 AMB 10-2:1753 10 ASN HD2- 4.20 (# 1753:10 Single Ambig)
&rst
ixpk= 1753, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 111, 112,1547,1548,
igr2= 151, 152,
&end
#
# 0 AMB 10-2:1754 0 AMB 10-1:1754 4.20 (# 1754:10 Double Ambig)
&rst
ixpk= 1754, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
igr1= 111, 112,1547,1548,
igr2= 151, 152, 151, 152,
&end
#
# 95 GLN HB- 10 ASN HD2+ 5.50 (# 1755:10 Unique 3.26, 4.96 A)
&rst
ixpk= 1755, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1547,1548,
igr2= 151, 152,
&end
#
# 95 GLN HB- 10 ASN HD2- 5.50 (# 1756:10 Unique 3.26, 4.96 A)
&rst
ixpk= 1756, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1547,1548,
igr2= 151, 152,
&end
#
# 21 GLN HB+ 17 ASN HD2+ 5.50 (# 1758:10 Unique 1.90, 3.89 A)
&rst
ixpk= 1758, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 310, 311,
igr2= 253, 254,
&end
#
# 21 GLN HB+ 17 ASN HD2- 5.50 (# 1759:10 Unique 1.90, 3.89 A)
&rst
ixpk= 1759, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 310, 311,
igr2= 253, 254,
&end
#
# 0 AMB 10-2:1760 0 AMB 10-1:1760 2.90 (# 1760:10 Double Ambig)
&rst
ixpk= 1760, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.60, r4= 5.35,
igr1=2631,2632,2648,2649,
igr2=2639,2640,2639,2640,
&end
#
# 21 GLN HG- 17 ASN HD2- 2.80 (# 1761:10 Unique 1.95, 3.97 A)
&rst
ixpk= 1761, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 313, 314,
igr2= 253, 254,
&end
#
# 0 AMB 10-2:1762 0 AMB 10-1:1762 5.50 (# 1762:10 Double Ambig)
&rst
ixpk= 1762, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 248, 249,2047,2048,
igr2= 253, 254, 253, 254,
&end
#
# 0 AMB 10-2:1763 17 ASN HD2- 5.50 (# 1763:10 Single Ambig)
&rst
ixpk= 1763, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 248, 249,2047,2048,
igr2= 253, 254,
&end
#
# 18 ARG HG- 19 GLN HE2+ 5.50 (# 1764:10 Unique 3.76, 5.45 A)
&rst
ixpk= 1764, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 265, 266,
igr2= 294, 295,
&end
#
# 18 ARG HG- 19 GLN HE2- 5.50 (# 1765:10 Unique 3.76, 5.45 A)
&rst
ixpk= 1765, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 265, 266,
igr2= 294, 295,
&end
#
# 18 ARG HB- 19 GLN HE2+ 4.20 (# 1766:10 Unique 1.98, 3.35 A)
&rst
ixpk= 1766, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1= 262, 263,
igr2= 294, 295,
&end
#
# 18 ARG HB- 19 GLN HE2- 5.50 (# 1767:10 Unique 1.98, 3.35 A)
&rst
ixpk= 1767, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 262, 263,
igr2= 294, 295,
&end
#
# 18 ARG HB+ 19 GLN HE2- 5.50 (# 1768:10 Unique 1.98, 3.35 A)
&rst
ixpk= 1768, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 262, 263,
igr2= 294, 295,
&end
#
# 18 ARG HB+ 19 GLN HE2+ 5.50 (# 1769:10 Unique 1.98, 3.35 A)
&rst
ixpk= 1769, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 262, 263,
igr2= 294, 295,
&end
#
# 19 GLN HG- 19 GLN HE2+ 3.50 (# 1770:10 Unique 2.12, 3.24 A)
&rst
ixpk= 1770, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 289, 290,
igr2= 294, 295,
&end
#
# 19 GLN HG- 19 GLN HE2- 4.20 (# 1771:10 Unique 2.12, 3.24 A)
&rst
ixpk= 1771, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1= 289, 290,
igr2= 294, 295,
&end
#
# 19 GLN HA 19 GLN HE2- 5.50 (# 1772:10 Unique 2.77, 3.43 A)
&rst
ixpk= 1772, nxpk= 10, iat= 284, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 294, 295,
&end
#
# 0 AMB 10-2:1775 30 GLN HE2- 5.50 (# 1775:10 Single Ambig)
&rst
ixpk= 1775, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1= 460, 461, 503, 504, 503, 504,
igr2= 477, 478,
&end
#
# 30 GLN HG+ 30 GLN HE2+ 2.80 (# 1776:10 Unique 2.12, 3.20 A)
&rst
ixpk= 1776, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 472, 473,
igr2= 477, 478,
&end
#
# 30 GLN HG+ 30 GLN HE2- 3.50 (# 1777:10 Unique 2.12, 3.20 A)
&rst
ixpk= 1777, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 472, 473,
igr2= 477, 478,
&end
#
# 30 GLN HB- 30 GLN HE2+ 5.50 (# 1778:10 Unique 2.02, 4.25 A)
&rst
ixpk= 1778, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 469, 470,
igr2= 477, 478,
&end
#
# 30 GLN HB- 30 GLN HE2- 5.50 (# 1779:10 Unique 2.02, 4.25 A)
&rst
ixpk= 1779, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 469, 470,
igr2= 477, 478,
&end
#
# 0 AMB 10-2:1780 0 AMB 10-1:1780 2.80 (# 1780:10 Double Ambig)
&rst
ixpk= 1780, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=2634,2635,2634,2635,
igr2=2639,2640,2639,2640,
&end
#
# 18 ARG HD+ 103 GLN HE2+ 5.50 (# 1781:10 Unique 1.93, 3.53 A)
&rst
ixpk= 1781, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 268, 269,
igr2=1715,1716,
&end
#
# 18 ARG HD+ 103 GLN HE2- 5.50 (# 1782:10 Unique 1.93, 3.53 A)
&rst
ixpk= 1782, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 268, 269,
igr2=1715,1716,
&end
#
# 103 GLN HG+ 103 GLN HE2+ 2.80 (# 1783:10 Unique 2.12, 3.35 A)
&rst
ixpk= 1783, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1710,1711,
igr2=1715,1716,
&end
#
# 103 GLN HG+ 103 GLN HE2- 3.50 (# 1784:10 Unique 2.12, 3.35 A)
&rst
ixpk= 1784, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1710,1711,
igr2=1715,1716,
&end
#
# 103 GLN HB- 103 GLN HE2+ 4.20 (# 1785:10 Unique 1.93, 3.70 A)
&rst
ixpk= 1785, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1=1707,1708,
igr2=1715,1716,
&end
#
# 103 GLN HB- 103 GLN HE2- 4.20 (# 1786:10 Unique 1.93, 3.70 A)
&rst
ixpk= 1786, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1=1707,1708,
igr2=1715,1716,
&end
#
# 158 LEU MDX 103 GLN HE2+ 3.50 (# 1787:10 Unique 1.93, 3.51 A)
&rst
ixpk= 1787, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2617,2618,2619,2621,2622,2623,
igr2=1715,1716,
&end
#
# 158 LEU MDX 103 GLN HE2- 3.50 (# 1788:10 Unique 1.93, 3.51 A)
&rst
ixpk= 1788, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
igr1=2617,2618,2619,2621,2622,2623,
igr2=1715,1716,
&end
#
# 0 AMB 10-2:1789 0 AMB 10-1:1789 5.50 (# 1789:10 Double Ambig)
&rst
ixpk= 1789, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 677, 678, 653, 654,
igr2= 644, 645, 644, 645,
&end
#
# 41 ASN HB- 41 ASN HD2+ 3.50 (# 1790:10 Unique 2.12, 3.15 A)
&rst
ixpk= 1790, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 639, 640,
igr2= 644, 645,
&end
#
# 41 ASN HB- 41 ASN HD2- 3.50 (# 1791:10 Unique 2.12, 3.15 A)
&rst
ixpk= 1791, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 639, 640,
igr2= 644, 645,
&end
#
# 41 ASN HB+ 41 ASN HD2+ 4.20 (# 1792:10 Unique 2.12, 3.15 A)
&rst
ixpk= 1792, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1= 639, 640,
igr2= 644, 645,
&end
#
# 41 ASN HB+ 41 ASN HD2- 4.20 (# 1793:10 Unique 2.12, 3.15 A)
&rst
ixpk= 1793, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1= 639, 640,
igr2= 644, 645,
&end
#
# 41 ASN HN 41 ASN HD2- 5.50 (# 1794:10 Unique 4.87, 5.11 A)
&rst
ixpk= 1794, nxpk= 10, iat= 635, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 644, 645,
&end
#
# 41 ASN HN 41 ASN HD2+ 5.50 (# 1795:10 Unique 4.87, 5.11 A)
&rst
ixpk= 1795, nxpk= 10, iat= 635, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 644, 645,
&end
#
# 52 ARG HE 41 ASN HD2- 5.50 (# 1796:10 Unique 3.10, 4.76 A)
&rst
ixpk= 1796, nxpk= 10, iat= 799, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2= 644, 645,
&end
#
# 48 GLN HG+ 48 GLN HE2+ 2.80 (# 1798:10 Unique 2.12, 3.26 A)
&rst
ixpk= 1798, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 728, 729,
igr2= 733, 734,
&end
#
# 48 GLN HB+ 48 GLN HE2- 5.50 (# 1799:10 Unique 3.70, 4.46 A)
&rst
ixpk= 1799, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 725, 726,
igr2= 733, 734,
&end
#
# 0 AMB 10-2:1800 0 AMB 10-1:1800 2.80 (# 1800:10 Double Ambig)
&rst
ixpk= 1800, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
igr1=1864,1865,1867,1868,
igr2=1872,1873,1872,1873,
&end
#
# 48 GLN HG+ 48 GLN HE2- 2.80 (# 1801:10 Unique 2.12, 3.26 A)
&rst
ixpk= 1801, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 728, 729,
igr2= 733, 734,
&end
#
# 114 GLN HB- 114 GLN HE2+ 5.50 (# 1802:10 Unique 2.05, 3.50 A)
&rst
ixpk= 1802, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1864,1865,
igr2=1872,1873,
&end
#
# 0 AMB 10-2:1803 0 AMB 10-1:1803 5.50 (# 1803:10 Double Ambig)
&rst
ixpk= 1803, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1931,1932, 790, 791, 793, 794,
igr2=1872,1873, 733, 734, 733, 734,
&end
#
# 0 AMB 10-2:1804 0 AMB 10-1:1804 5.50 (# 1804:10 Double Ambig)
&rst
ixpk= 1804, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1= 752, 753, 755, 756, 793, 794,
igr2= 733, 734, 733, 734, 733, 734,
&end
#
# 72 ARG HB+ 73 ASN HD2+ 4.20 (# 1805:10 Unique 2.26, 3.81 A)
&rst
ixpk= 1805, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1=1122,1123,
igr2=1151,1152,
&end
#
# 72 ARG HB+ 73 ASN HD2- 4.20 (# 1806:10 Unique 2.26, 3.81 A)
&rst
ixpk= 1806, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1=1122,1123,
igr2=1151,1152,
&end
#
# 73 ASN HB- 73 ASN HD2+ 3.50 (# 1807:10 Unique 2.21, 3.39 A)
&rst
ixpk= 1807, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1146,1147,
igr2=1151,1152,
&end
#
# 73 ASN HB+ 73 ASN HD2+ 3.50 (# 1808:10 Unique 2.21, 3.39 A)
&rst
ixpk= 1808, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1146,1147,
igr2=1151,1152,
&end
#
# 73 ASN HB- 73 ASN HD2- 4.20 (# 1809:10 Unique 2.21, 3.39 A)
&rst
ixpk= 1809, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1=1146,1147,
igr2=1151,1152,
&end
#
# 73 ASN HB+ 73 ASN HD2- 5.50 (# 1810:10 Unique 2.21, 3.39 A)
&rst
ixpk= 1810, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1146,1147,
igr2=1151,1152,
&end
#
# 73 ASN HA 73 ASN HD2+ 5.50 (# 1811:10 Unique 2.93, 3.84 A)
&rst
ixpk= 1811, nxpk= 10, iat=1144, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1151,1152,
&end
#
# 73 ASN HA 73 ASN HD2- 5.50 (# 1812:10 Unique 2.93, 3.84 A)
&rst
ixpk= 1812, nxpk= 10, iat=1144, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1151,1152,
&end
#
# 73 ASN HN 73 ASN HD2+ 4.20 (# 1813:10 Unique 2.18, 3.13 A)
&rst
ixpk= 1813, nxpk= 10, iat=1142, -1, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr2=1151,1152,
&end
#
# 73 ASN HN 73 ASN HD2- 5.50 (# 1814:10 Unique 2.18, 3.13 A)
&rst
ixpk= 1814, nxpk= 10, iat=1142, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1151,1152,
&end
#
# 8 ARG HD- 95 GLN HE2- 5.50 (# 1815:10 Unique 3.72, 6.33 A)
&rst
ixpk= 1815, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 114, 115,
igr2=1555,1556,
&end
#
# 77 TYR HB- 95 GLN HE2+ 5.50 (# 1816:10 Unique 2.70, 7.84 A)
&rst
ixpk= 1816, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1227,1228,
igr2=1555,1556,
&end
#
# 0 AMB 10-2:1817 0 AMB 10-1:1817 5.50 (# 1817:10 Double Ambig)
&rst
ixpk= 1817, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1= 87, 88,1160,1161,
igr2=1555,1556,1555,1556,
&end
#
# 0 AMB 10-2:1818 0 AMB 10-1:1818 3.50 (# 1818:10 Double Ambig)
&rst
ixpk= 1818, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=1550,1551,1209,1210,
igr2=1555,1556,1555,1556,
&end
#
# 95 GLN HG+ 95 GLN HE2+ 3.50 (# 1819:10 Unique 2.31, 3.47 A)
&rst
ixpk= 1819, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1550,1551,
igr2=1555,1556,
&end
#
# 0 AMB 10-2:1820 95 GLN HE2- 3.50 (# 1820:10 Single Ambig)
&rst
ixpk= 1820, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1550,1551,1209,1210,
igr2=1555,1556,
&end
#
# 95 GLN HG+ 95 GLN HE2- 3.50 (# 1821:10 Unique 2.31, 3.47 A)
&rst
ixpk= 1821, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1550,1551,
igr2=1555,1556,
&end
#
# 95 GLN HB+ 95 GLN HE2+ 5.50 (# 1822:10 Unique 1.95, 3.43 A)
&rst
ixpk= 1822, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1547,1548,
igr2=1555,1556,
&end
#
# 95 GLN HB+ 95 GLN HE2- 4.20 (# 1823:10 Unique 1.95, 3.43 A)
&rst
ixpk= 1823, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1=1547,1548,
igr2=1555,1556,
&end
#
# 95 GLN HB- 95 GLN HE2+ 4.20 (# 1824:10 Unique 1.95, 3.43 A)
&rst
ixpk= 1824, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1=1547,1548,
igr2=1555,1556,
&end
#
# 0 AMB 10-2:1825 0 AMB 10-1:1825 5.50 (# 1825:10 Double Ambig)
&rst
ixpk= 1825, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1206,1207,2304,2305,
igr2=1555,1556,1555,1556,
&end
#
# 79 LEU MDY 95 GLN HE2+ 5.50 (# 1826:10 Unique 2.50, 5.13 A)
&rst
ixpk= 1826, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1275,1276,1277,1279,1280,1281,
igr2=1555,1556,
&end
#
# 0 AMB 10-2:1827 97 GLN HE2- 5.50 (# 1827:10 Single Ambig)
&rst
ixpk= 1827, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1586,1587,1589,1590,1550,1551,
igr2=1594,1595,
&end
#
# 0 AMB 10-2:1828 0 AMB 10-1:1828 5.50 (# 1828:10 Double Ambig)
&rst
ixpk= 1828, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=1586,1587,1589,1590,1550,1551,
igr2=1594,1595,1594,1595,1594,1595,
&end
#
# 37 GLN HB- 97 GLN HE2+ 5.50 (# 1829:10 Unique 7.25, 9.90 A)
&rst
ixpk= 1829, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 589, 590,
igr2=1594,1595,
&end
#
# 0 AMB 10-2:1830 114 GLN HE2- 3.50 (# 1830:10 Single Ambig)
&rst
ixpk= 1830, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=1864,1865,1867,1868,
igr2=1872,1873,
&end
#
# 119 PRO HD+ 114 GLN HE2+ 5.50 (# 1832:10 Unique 5.78, 8.38 A)
&rst
ixpk= 1832, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1928,1929,
igr2=1872,1873,
&end
#
# 0 AMB 10-2:1833 0 AMB 10-1:1833 5.50 (# 1833:10 Double Ambig)
&rst
ixpk= 1833, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1904, 788,
igr2=1872,1873, 733, 734,
&end
#
# 115 THR MG2 112 ASN HD2+ 5.50 (# 1834:10 Unique 2.13, 4.30 A)
&rst
ixpk= 1834, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1883,1884,1885,
igr2=1838,1839,
&end
#
# 115 THR MG2 112 ASN HD2- 5.50 (# 1835:10 Unique 2.13, 4.30 A)
&rst
ixpk= 1835, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1883,1884,1885,
igr2=1838,1839,
&end
#
# 112 ASN HB+ 112 ASN HD2- 3.50 (# 1836:10 Unique 2.14, 3.30 A)
&rst
ixpk= 1836, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1833,1834,
igr2=1838,1839,
&end
#
# 112 ASN HB+ 112 ASN HD2+ 2.80 (# 1837:10 Unique 2.14, 3.30 A)
&rst
ixpk= 1837, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=1833,1834,
igr2=1838,1839,
&end
#
# 115 THR HB 112 ASN HD2- 5.50 (# 1838:10 Unique 4.57, 5.37 A)
&rst
ixpk= 1838, nxpk= 10, iat=1881, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1838,1839,
&end
#
# 135 GLN HG- 135 GLN HE2+ 4.20 (# 1839:10 Unique 2.13, 3.19 A)
&rst
ixpk= 1839, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1=2221,2222,
igr2=2226,2227,
&end
#
# 135 GLN HG- 135 GLN HE2- 5.50 (# 1840:10 Unique 2.13, 3.19 A)
&rst
ixpk= 1840, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2221,2222,
igr2=2226,2227,
&end
#
# 135 GLN HG+ 135 GLN HE2- 3.50 (# 1841:10 Unique 2.13, 3.19 A)
&rst
ixpk= 1841, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2221,2222,
igr2=2226,2227,
&end
#
# 135 GLN HG+ 135 GLN HE2+ 3.50 (# 1842:10 Unique 2.13, 3.19 A)
&rst
ixpk= 1842, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2221,2222,
igr2=2226,2227,
&end
#
# 135 GLN HB+ 135 GLN HE2- 5.50 (# 1844:10 Unique 3.86, 4.62 A)
&rst
ixpk= 1844, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2218,2219,
igr2=2226,2227,
&end
#
# 0 AMB 10-2:1845 0 AMB 10-1:1845 5.50 (# 1845:10 Double Ambig)
&rst
ixpk= 1845, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2216,2192,
igr2=2226,2227,2226,2227,
&end
#
# 0 AMB 10-2:1846 135 GLN HE2- 5.50 (# 1846:10 Single Ambig)
&rst
ixpk= 1846, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2216,2192,
igr2=2226,2227,
&end
#
# 135 GLN HN 135 GLN HE2+ 5.50 (# 1849:10 Unique 2.37, 3.88 A)
&rst
ixpk= 1849, nxpk= 10, iat=2214, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2226,2227,
&end
#
# 135 GLN HN 135 GLN HE2- 5.50 (# 1850:10 Unique 2.37, 3.88 A)
&rst
ixpk= 1850, nxpk= 10, iat=2214, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2226,2227,
&end
#
# 134 ARG HN 135 GLN HE2- 5.50 (# 1851:10 Unique 3.17, 4.62 A)
&rst
ixpk= 1851, nxpk= 10, iat=2190, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2226,2227,
&end
#
# 134 ARG HN 135 GLN HE2+ 5.50 (# 1852:10 Unique 3.17, 4.62 A)
&rst
ixpk= 1852, nxpk= 10, iat=2190, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2226,2227,
&end
#
# 0 AMB 10-2:1856 0 AMB 10-1:1856 5.50 (# 1856:10 Double Ambig)
&rst
ixpk= 1856, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1=2582,2629,
igr2=2639,2640, 271,2639,2640,
&end
#
# 0 AMB 10-2:1857 159 GLN HE2- 5.50 (# 1857:10 Single Ambig)
&rst
ixpk= 1857, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2582,2629,
igr2=2639,2640,
&end
#
# 0 AMB 10-2:1858 159 GLN HE2- 3.50 (# 1858:10 Single Ambig)
&rst
ixpk= 1858, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
igr1=2634,2635,2634,2635,
igr2=2639,2640,
&end
#
# 19 GLN HG+ 159 GLN HE2- 5.50 (# 1859:10 Unique 7.68, 8.82 A)
&rst
ixpk= 1859, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 289, 290,
igr2=2639,2640,
&end
#
# 159 GLN HB- 159 GLN HE2- 5.50 (# 1860:10 Unique 2.75, 3.94 A)
&rst
ixpk= 1860, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2631,2632,
igr2=2639,2640,
&end
#
# 155 VAL MGX 159 GLN HE2+ 5.50 (# 1861:10 Unique 1.95, 4.57 A)
&rst
ixpk= 1861, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2570,2571,2572,2574,2575,2576,
igr2=2639,2640,
&end
#
# 155 VAL MGX 159 GLN HE2- 5.50 (# 1862:10 Unique 1.95, 4.57 A)
&rst
ixpk= 1862, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=2570,2571,2572,2574,2575,2576,
igr2=2639,2640,
&end
#
# 18 ARG HD+ 18 ARG HE 2.80 (# 1863:10 Unique 2.27, 2.67 A)
&rst
ixpk= 1863, nxpk= 10, iat= -1, 271, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 268, 269,
&end
#
# 161 ASN HN 161 ASN HD2+ 5.50 (# 1865:10 Unique 1.89, 2.92 A)
&rst
ixpk= 1865, nxpk= 10, iat=2659, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2668,2669,
&end
#
# 161 ASN HN 161 ASN HD2- 5.50 (# 1866:10 Unique 1.89, 2.92 A)
&rst
ixpk= 1866, nxpk= 10, iat=2659, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=2668,2669,
&end
#
# 161 ASN HB- 161 ASN HD2- 3.50 (# 1870:10 Unique 2.11, 3.39 A)
&rst
ixpk= 1870, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2663,2664,
igr2=2668,2669,
&end
#
# 161 ASN HB+ 161 ASN HD2- 5.50 (# 1871:10 Unique 2.11, 3.39 A)
&rst
ixpk= 1871, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2663,2664,
igr2=2668,2669,
&end
#
# 161 ASN HB+ 161 ASN HD2+ 3.50 (# 1872:10 Unique 2.11, 3.39 A)
&rst
ixpk= 1872, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2663,2664,
igr2=2668,2669,
&end
#
# 161 ASN HB- 161 ASN HD2+ 2.80 (# 1873:10 Unique 2.11, 3.39 A)
&rst
ixpk= 1873, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2663,2664,
igr2=2668,2669,
&end
#
# 160 GLU HB+ 161 ASN HD2- 5.50 (# 1874:10 Unique 2.23, 3.83 A)
&rst
ixpk= 1874, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2648,2649,
igr2=2668,2669,
&end
#
# 0 AMB 10-2:1875 161 ASN HD2- 5.50 (# 1875:10 Single Ambig)
&rst
ixpk= 1875, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
igr1=2617,2618,2619,2621,2622,2623,2554,2555,2556,2558,
2559,2560,2570,2571,2572,2574,2575,2576,
igr2=2668,2669,
&end
#
# 98 LYS HE- 74 TRP HE1 5.50 (# 1876:10 Unique 3.23, 4.63 A)
&rst
ixpk= 1876, nxpk= 10, iat= -1,1166, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1612,1613,
&end
#
# 98 LYS HE+ 74 TRP HE1 5.50 (# 1877:10 Unique 3.23, 4.63 A)
&rst
ixpk= 1877, nxpk= 10, iat= -1,1166, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1612,1613,
&end
#
# 0 AMB 10-2:1879 74 TRP HE1 5.50 (# 1879:10 Single Ambig)
&rst
ixpk= 1879, nxpk= 10, iat= -1,1166, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1160,1161,1146,1147,
&end
#
# 74 TRP HD1 74 TRP HE1 2.80 (# 1882:10 Unique 2.57, 2.57 A)
&rst
ixpk= 1882, nxpk= 10, iat=1164,1166, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 74 TRP HH2 74 TRP HE1 5.50 (# 1883:10 Unique 4.96, 4.97 A)
&rst
ixpk= 1883, nxpk= 10, iat=1171,1166, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 33 TRP HH2 33 TRP HE1 5.50 (# 1884:10 Unique 4.96, 4.97 A)
&rst
ixpk= 1884, nxpk= 10, iat= 525, 520, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 33 TRP HD1 33 TRP HE1 2.80 (# 1885:10 Unique 2.57, 2.57 A)
&rst
ixpk= 1885, nxpk= 10, iat= 518, 520, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 33 TRP HZ2 33 TRP HE1 3.50 (# 1886:10 Unique 2.82, 2.82 A)
&rst
ixpk= 1886, nxpk= 10, iat= 523, 520, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1887 74 TRP HE1 5.50 (# 1887:10 Single Ambig)
&rst
ixpk= 1887, nxpk= 10, iat= -1,1166, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1156,1142,
&end
#
# 33 TRP HN 33 TRP HE1 5.50 (# 1888:10 Unique 4.09, 4.92 A)
&rst
ixpk= 1888, nxpk= 10, iat= 510, 520, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1889 130 TRP HE1 5.50 (# 1889:10 Single Ambig)
&rst
ixpk= 1889, nxpk= 10, iat= -1,2125, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2098,2099,2119,2120,
&end
#
# 130 TRP HD1 130 TRP HE1 2.80 (# 1891:10 Unique 2.57, 2.57 A)
&rst
ixpk= 1891, nxpk= 10, iat=2123,2125, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:1892 130 TRP HE1 2.80 (# 1892:10 Single Ambig)
&rst
ixpk= 1892, nxpk= 10, iat= -1,2125, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2128,2115,
&end
#
# 84 VAL MGX 86 TRP HE1 3.50 (# 1893:10 Unique 3.98, 5.29 A)
&rst
ixpk= 1893, nxpk= 10, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1370,1371,1372,1374,1375,1376,
&end
#
# 84 VAL MGY 86 TRP HE1 3.50 (# 1894:10 Unique 3.98, 5.29 A)
&rst
ixpk= 1894, nxpk= 10, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1370,1371,1372,1374,1375,1376,
&end
#
# 0 AMB 10-2:1895 86 TRP HE1 3.50 (# 1895:10 Single Ambig)
&rst
ixpk= 1895, nxpk= 10, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1368,1306,1307,
&end
#
# 0 AMB 10-2:1896 86 TRP HE1 5.50 (# 1896:10 Single Ambig)
&rst
ixpk= 1896, nxpk= 10, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1303,1304,1303,1304,
&end
#
# 0 AMB 10-2:1897 86 TRP HE1 4.20 (# 1897:10 Single Ambig)
&rst
ixpk= 1897, nxpk= 10, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1=1312,1313,1408,1409,
&end
#
# 0 AMB 10-2:1898 86 TRP HE1 5.50 (# 1898:10 Single Ambig)
&rst
ixpk= 1898, nxpk= 10, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1408,1409,1366,
&end
#
# 81 LYS HA 86 TRP HE1 5.50 (# 1899:10 Unique 2.74, 3.36 A)
&rst
ixpk= 1899, nxpk= 10, iat=1301,1414, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1900 86 TRP HE1 5.50 (# 1900:10 Single Ambig)
&rst
ixpk= 1900, nxpk= 10, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1323,1406,
&end
#
# 0 AMB 10-2:1901 86 TRP HE1 5.50 (# 1901:10 Single Ambig)
&rst
ixpk= 1901, nxpk= 10, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1364,1419,
&end
#
# 86 TRP HD1 86 TRP HE1 2.80 (# 1902:10 Unique 2.57, 2.57 A)
&rst
ixpk= 1902, nxpk= 10, iat=1412,1414, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 86 TRP HN 86 TRP HE1 5.50 (# 1903:10 Unique 3.95, 4.01 A)
&rst
ixpk= 1903, nxpk= 10, iat=1404,1414, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 TRP HZ2 99 TRP HE1 5.50 (# 1904:10 Unique 2.82, 2.82 A)
&rst
ixpk= 1904, nxpk= 10, iat=1634,1631, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 99 TRP HD1 99 TRP HE1 3.50 (# 1905:10 Unique 2.57, 2.57 A)
&rst
ixpk= 1905, nxpk= 10, iat=1629,1631, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:1906 99 TRP HE1 3.50 (# 1906:10 Single Ambig)
&rst
ixpk= 1906, nxpk= 10, iat= -1,1631, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1586,1587,1589,1590,
&end
#
# 0 AMB 10-2:1907 99 TRP HE1 4.20 (# 1907:10 Single Ambig)
&rst
ixpk= 1907, nxpk= 10, iat= -1,1631, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1586,1587,1187,
&end
#
# 0 AMB 10-2:1908 0 AMB 10-1:1908 3.50 (# 1908:10 Double Ambig)
&rst
ixpk= 1908, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=2167,2168,2358,2359,2360,2362,2363,2364,
igr2= 366,1631,
&end
#
# 147 VAL MGY 99 TRP HE1 5.50 (# 1909:10 Unique 2.45, 4.51 A)
&rst
ixpk= 1909, nxpk= 10, iat= -1,1631, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 10-2:1911 24 TRP HE1 3.50 (# 1911:10 Single Ambig)
&rst
ixpk= 1911, nxpk= 10, iat= -1, 366, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1= 364,2147,2156,
&end
#
# 88 THR MG2 85 ARG HE 5.50 (# 1913:10 Unique 4.23, 6.17 A)
&rst
ixpk= 1913, nxpk= 10, iat= -1,1393, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1446,1447,1448,
&end
#
# 85 ARG HG- 85 ARG HE 5.50 (# 1914:10 Unique 2.12, 3.36 A)
&rst
ixpk= 1914, nxpk= 10, iat= -1,1393, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1387,1388,
&end
#
# 0 AMB 10-2:1915 85 ARG HE 4.20 (# 1915:10 Single Ambig)
&rst
ixpk= 1915, nxpk= 10, iat= -1,1393, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1=1387,1388,1384,1385,
&end
#
# 85 ARG HB+ 85 ARG HE 4.20 (# 1916:10 Unique 3.43, 4.30 A)
&rst
ixpk= 1916, nxpk= 10, iat= -1,1393, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1384,1385,
&end
#
# 85 ARG HD+ 85 ARG HE 2.80 (# 1917:10 Unique 2.27, 2.59 A)
&rst
ixpk= 1917, nxpk= 10, iat= -1,1393, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1390,1391,
&end
#
# 85 ARG HH2+ 85 ARG HE 4.20 (# 1919:10 Unique 2.28, 2.88 A)
&rst
ixpk= 1919, nxpk= 10, iat= -1,1393, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1399,1400,
&end
#
# 0 AMB 10-2:1920 62 ARG HE 2.80 (# 1920:10 Single Ambig)
&rst
ixpk= 1920, nxpk= 10, iat= -1, 960, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1= 957, 958, 769, 770,
&end
#
# 51 TYR HE 62 ARG HE 4.20 (# 1921:10 Unique 2.79, 5.72 A)
&rst
ixpk= 1921, nxpk= 10, iat= -1, 960, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 775, 780,
&end
#
# 82 ARG HD+ 82 ARG HE 4.20 (# 1924:10 Unique 2.28, 2.75 A)
&rst
ixpk= 1924, nxpk= 10, iat= -1,1334, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1331,1332,
&end
#
# 72 ARG HD+ 72 ARG HE 3.50 (# 1925:10 Unique 2.28, 2.76 A)
&rst
ixpk= 1925, nxpk= 10, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1128,1129,
&end
#
# 105 VAL MGX 66 ARG HE 4.20 (# 1926:10 Unique 1.94, 3.61 A)
&rst
ixpk= 1926, nxpk= 10, iat= -1,1034, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1745,1746,1747,1749,1750,1751,
&end
#
# 66 ARG HG+ 66 ARG HE 3.50 (# 1927:10 Unique 2.68, 3.55 A)
&rst
ixpk= 1927, nxpk= 10, iat= -1,1034, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1028,1029,
&end
#
# 0 AMB 10-2:1928 66 ARG HE 3.50 (# 1928:10 Single Ambig)
&rst
ixpk= 1928, nxpk= 10, iat= -1,1034, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=1025,1026,1025,1026,
&end
#
# 71 THR MG2 72 ARG HE 5.50 (# 1931:10 Unique 6.63, 9.74 A)
&rst
ixpk= 1931, nxpk= 10, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1110,1111,1112,
&end
#
# 72 ARG HG+ 72 ARG HE 3.50 (# 1932:10 Unique 2.21, 2.87 A)
&rst
ixpk= 1932, nxpk= 10, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1125,1126,
&end
#
# 66 ARG HD+ 66 ARG HE 2.80 (# 1933:10 Unique 2.27, 2.57 A)
&rst
ixpk= 1933, nxpk= 10, iat= -1,1034, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1031,1032,
&end
#
# 62 ARG HG- 62 ARG HE 5.50 (# 1934:10 Unique 2.18, 3.32 A)
&rst
ixpk= 1934, nxpk= 10, iat= -1, 960, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 954, 955,
&end
#
# 62 ARG HG+ 62 ARG HE 5.50 (# 1935:10 Unique 2.18, 3.32 A)
&rst
ixpk= 1935, nxpk= 10, iat= -1, 960, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 954, 955,
&end
#
# 62 ARG HB- 62 ARG HE 5.50 (# 1936:10 Unique 2.00, 3.16 A)
&rst
ixpk= 1936, nxpk= 10, iat= -1, 960, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 951, 952,
&end
#
# 0 AMB 10-2:1937 12 GLY HN 5.50 (# 1937:10 Single Ambig)
&rst
ixpk= 1937, nxpk= 10, iat= -1, 172, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 174, 175, 174, 175,
&end
#
# 68 LEU HB+ 68 LEU HN 3.50 (# 1952:10 Unique 2.64, 3.23 A)
&rst
ixpk= 1952, nxpk= 10, iat= -1,1064, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=1068,1069,
&end
#
# 0 AMB 10-2:1953 0 AMB 10-1:1953 3.10 (# 1953:10 Double Ambig)
&rst
ixpk= 1953, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.38, r4= 5.13,
igr1=1547,1548, 713, 714,
igr2=1543, 706,
&end
#
# 74 TRP HZ2 74 TRP HE1 2.80 (# 1954:10 Unique 2.82, 2.82 A)
&rst
ixpk= 1954, nxpk= 10, iat=1169,1166, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 124 TRP HZ2 124 TRP HE1 4.20 (# 1955:10 Unique 2.82, 2.82 A)
&rst
ixpk= 1955, nxpk= 10, iat=2008,2005, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 127 VAL HB 127 VAL HN 5.50 (# 1957:10 Unique 3.32, 3.73 A)
&rst
ixpk= 1957, nxpk= 10, iat=2071,2067, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 26 ARG HB+ 26 ARG HN 5.50 (# 1958:10 Unique 2.07, 2.73 A)
&rst
ixpk= 1958, nxpk= 10, iat= -1, 390, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 394, 395,
&end
#
# 158 LEU MDX 18 ARG HE 5.50 (# 1959:10 Unique 1.93, 6.68 A)
&rst
ixpk= 1959, nxpk= 10, iat= -1, 271, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2617,2618,2619,2621,2622,2623,
&end
#
# 0 AMB 10-2:1960 0 AMB 10-1:1960 5.50 (# 1960:10 Double Ambig)
&rst
ixpk= 1960, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2197,2198, 265, 266,
igr2=2203, 271,
&end
#
# 0 AMB 10-2:1961 0 AMB 10-1:1961 4.20 (# 1961:10 Double Ambig)
&rst
ixpk= 1961, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 262, 263,2194,2195,
igr2= 271,2203,
&end
#
# 18 ARG HB+ 18 ARG HE 5.50 (# 1962:10 Unique 1.95, 3.71 A)
&rst
ixpk= 1962, nxpk= 10, iat= -1, 271, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 262, 263,
&end
#
# 0 AMB 10-2:1963 18 ARG HE 5.50 (# 1963:10 Single Ambig)
&rst
ixpk= 1963, nxpk= 10, iat= -1, 271, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2629,2610,
&end
#
# 66 ARG HH2+ 66 ARG HE 4.20 (# 1965:10 Unique 2.28, 2.88 A)
&rst
ixpk= 1965, nxpk= 10, iat= -1,1034, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1040,1041,
&end
#
# 0 AMB 10-2:1966 66 ARG HE 5.50 (# 1966:10 Single Ambig)
&rst
ixpk= 1966, nxpk= 10, iat= -1,1034, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1703,1045,
&end
#
# 85 ARG HA 85 ARG HE 5.50 (# 1971:10 Unique 2.01, 3.99 A)
&rst
ixpk= 1971, nxpk= 10, iat=1382,1393, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 125 ARG HD+ 125 ARG HE 5.50 (# 1972:10 Unique 2.27, 2.64 A)
&rst
ixpk= 1972, nxpk= 10, iat= -1,2032, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2029,2030,
&end
#
# 125 ARG HG+ 125 ARG HE 5.50 (# 1973:10 Unique 2.23, 3.08 A)
&rst
ixpk= 1973, nxpk= 10, iat= -1,2032, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2026,2027,
&end
#
# 125 ARG HD- 125 ARG HE 5.50 (# 1974:10 Unique 2.27, 2.64 A)
&rst
ixpk= 1974, nxpk= 10, iat= -1,2032, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2029,2030,
&end
#
# 126 TRP HZ2 126 TRP HE1 5.50 (# 1976:10 Unique 2.82, 2.82 A)
&rst
ixpk= 1976, nxpk= 10, iat=2056,2053, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:1977 126 TRP HE1 5.50 (# 1977:10 Single Ambig)
&rst
ixpk= 1977, nxpk= 10, iat= -1,2053, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=2058,1966,1970,
&end
#
# 111 ILE QD1 126 TRP HE1 5.50 (# 1978:10 Unique 3.43, 4.35 A)
&rst
ixpk= 1978, nxpk= 10, iat= -1,2053, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1823,1824,1825,
&end
#
# 108 ASP HB+ 126 TRP HE1 5.50 (# 1979:10 Unique 3.99, 5.03 A)
&rst
ixpk= 1979, nxpk= 10, iat= -1,2053, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1777,1778,
&end
#
# 129 TYR HA 129 TYR HN 4.20 (# 1980:10 Unique 2.80, 2.87 A)
&rst
ixpk= 1980, nxpk= 10, iat=2096,2094, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 2 ILE HG1- 3 ASP HN 5.50 (# 1981:10 Unique 3.70, 4.30 A)
&rst
ixpk= 1981, nxpk= 10, iat= -1, 40, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 31, 32,
&end
#
# 2 ILE HB 3 ASP HN 5.50 (# 1982:10 Unique 4.21, 4.39 A)
&rst
ixpk= 1982, nxpk= 10, iat= 25, 40, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 1 MET HG- 3 ASP HN 5.50 (# 1983:10 Unique 4.19, 5.47 A)
&rst
ixpk= 1983, nxpk= 10, iat= -1, 40, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 11, 12,
&end
#
# 0 AMB 10-2:1984 4 ASP HN 5.80 (# 1984:10 Single Ambig)
&rst
ixpk= 1984, nxpk= 10, iat= -1, 52, r1= 0.00, r2= 1.80, r3= 6.97, r4= 7.72,
igr1= 23, 665, 666,
&end
#
# 4 ASP HN 5 ASP HN 3.50 (# 1985:10 Unique 1.77, 2.47 A)
&rst
ixpk= 1985, nxpk= 10, iat= 52, 64, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 6 GLY HA+ 5 ASP HN 5.50 (# 1986:10 Unique 4.34, 4.67 A)
&rst
ixpk= 1986, nxpk= 10, iat= -1, 64, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 78, 79,
&end
#
# 7 TYR HD 6 GLY HN 5.50 (# 1988:10 Unique 4.15, 6.00 A)
&rst
ixpk= 1988, nxpk= 10, iat= -1, 76, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 91, 100,
&end
#
# 6 GLY HA+ 7 TYR HN 5.50 (# 1989:10 Unique 2.95, 3.25 A)
&rst
ixpk= 1989, nxpk= 10, iat= -1, 83, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 78, 79,
&end
#
# 0 AMB 10-2:1990 0 AMB 10-1:1990 3.50 (# 1990:10 Double Ambig)
&rst
ixpk= 1990, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1= 738, 40,
igr2= 748, 83,
&end
#
# 2 ILE QG2 5 ASP HN 5.50 (# 1991:10 Unique 3.71, 4.92 A)
&rst
ixpk= 1991, nxpk= 10, iat= -1, 64, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 27, 28, 29,
&end
#
# 0 AMB 10-2:1992 6 GLY HN 5.50 (# 1992:10 Single Ambig)
&rst
ixpk= 1992, nxpk= 10, iat= -1, 76, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1=1530,1531,1532,1527,1528,
&end
#
# 95 GLN HB- 8 ARG HN 5.50 (# 1993:10 Unique 2.80, 3.68 A)
&rst
ixpk= 1993, nxpk= 10, iat= -1, 104, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1547,1548,
&end
#
# 7 TYR HB+ 8 ARG HN 5.50 (# 1994:10 Unique 3.03, 3.78 A)
&rst
ixpk= 1994, nxpk= 10, iat= -1, 104, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 87, 88,
&end
#
# 95 GLN HN 8 ARG HN 5.50 (# 1995:10 Unique 4.64, 4.80 A)
&rst
ixpk= 1995, nxpk= 10, iat=1543, 104, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 98 LYS HN 10 ASN HN 5.50 (# 1996:10 Unique 3.79, 4.08 A)
&rst
ixpk= 1996, nxpk= 10, iat=1599, 142, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 10 ASN HB- 10 ASN HN 5.50 (# 1997:10 Unique 2.43, 3.06 A)
&rst
ixpk= 1997, nxpk= 10, iat= -1, 142, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 146, 147,
&end
#
# 10 ASN HB+ 11 VAL HN 4.20 (# 1998:10 Unique 2.67, 3.49 A)
&rst
ixpk= 1998, nxpk= 10, iat= -1, 156, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 146, 147,
&end
#
# 10 ASN HN 11 VAL HN 5.50 (# 1999:10 Unique 4.38, 4.44 A)
&rst
ixpk= 1999, nxpk= 10, iat= 142, 156, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 12 GLY HA+ 12 GLY HN 5.50 (# 2000:10 Unique 2.44, 2.73 A)
&rst
ixpk= 2000, nxpk= 10, iat= -1, 172, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 174, 175,
&end
#
# 98 LYS HN 12 GLY HN 5.50 (# 2002:10 Unique 3.41, 3.84 A)
&rst
ixpk= 2002, nxpk= 10, iat=1599, 172, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 VAL HN 13 ILE HN 5.50 (# 2003:10 Unique 4.20, 4.29 A)
&rst
ixpk= 2003, nxpk= 10, iat= 198, 179, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 ILE HA 14 VAL HN 5.50 (# 2004:10 Unique 4.69, 4.75 A)
&rst
ixpk= 2004, nxpk= 10, iat= 216, 198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 VAL MGX 15 ILE HN 5.50 (# 2005:10 Unique 3.07, 4.76 A)
&rst
ixpk= 2005, nxpk= 10, iat= -1, 214, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 204, 205, 206, 208, 209, 210,
&end
#
# 16 CYS HN 15 ILE HN 5.50 (# 2006:10 Unique 4.42, 4.52 A)
&rst
ixpk= 2006, nxpk= 10, iat= 233, 214, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 101 LEU MDX 16 CYS HN 4.20 (# 2007:10 Unique 2.90, 4.98 A)
&rst
ixpk= 2007, nxpk= 10, iat= -1, 233, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 103 GLN HG+ 16 CYS HN 5.50 (# 2008:10 Unique 4.65, 5.50 A)
&rst
ixpk= 2008, nxpk= 10, iat= -1, 233, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1710,1711,
&end
#
# 17 ASN HB- 17 ASN HN 5.50 (# 2009:10 Unique 2.53, 3.22 A)
&rst
ixpk= 2009, nxpk= 10, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 248, 249,
&end
#
# 16 CYS HB+ 17 ASN HN 3.50 (# 2010:10 Unique 2.50, 3.29 A)
&rst
ixpk= 2010, nxpk= 10, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 237, 238,
&end
#
# 51 TYR HB+ 48 GLN HN 5.50 (# 2011:10 Unique 4.73, 5.78 A)
&rst
ixpk= 2011, nxpk= 10, iat= -1, 721, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 769, 770,
&end
#
# 16 CYS HB- 17 ASN HN 5.50 (# 2012:10 Unique 2.50, 3.29 A)
&rst
ixpk= 2012, nxpk= 10, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 237, 238,
&end
#
# 47 GLU HG- 48 GLN HN 4.20 (# 2013:10 Unique 3.69, 4.44 A)
&rst
ixpk= 2013, nxpk= 10, iat= -1, 721, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 713, 714,
&end
#
# 0 AMB 10-2:2014 17 ASN HN 5.51 (# 2014:10 Single Ambig)
&rst
ixpk= 2014, nxpk= 10, iat= -1, 244, r1= 0.00, r2= 1.80, r3= 6.94, r4= 7.69,
igr1=1707,1708, 262, 263,
&end
#
# 18 ARG HA 18 ARG HN 3.50 (# 2015:10 Unique 2.82, 2.87 A)
&rst
ixpk= 2015, nxpk= 10, iat= 260, 258, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 17 ASN HB- 18 ARG HN 4.20 (# 2016:10 Unique 2.10, 2.97 A)
&rst
ixpk= 2016, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 248, 249,
&end
#
# 0 AMB 10-2:2017 18 ARG HN 4.20 (# 2017:10 Single Ambig)
&rst
ixpk= 2017, nxpk= 10, iat= -1, 258, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 289, 290, 286, 287,1724,1725, 313, 314,
&end
#
# 19 GLN HG+ 19 GLN HN 3.50 (# 2018:10 Unique 2.27, 3.27 A)
&rst
ixpk= 2018, nxpk= 10, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 289, 290,
&end
#
# 19 GLN HG+ 20 GLY HN 5.50 (# 2019:10 Unique 4.08, 4.91 A)
&rst
ixpk= 2019, nxpk= 10, iat= -1, 299, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 289, 290,
&end
#
# 21 GLN HN 20 GLY HN 3.50 (# 2020:10 Unique 2.18, 2.38 A)
&rst
ixpk= 2020, nxpk= 10, iat= 306, 299, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 19 GLN HG+ 21 GLN HN 4.20 (# 2021:10 Unique 4.96, 5.58 A)
&rst
ixpk= 2021, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 289, 290,
&end
#
# 17 ASN HD2+ 21 GLN HN 3.50 (# 2022:10 Unique 1.84, 3.70 A)
&rst
ixpk= 2022, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 253, 254,
&end
#
# 22 VAL HA 22 VAL HN 5.50 (# 2023:10 Unique 2.91, 2.94 A)
&rst
ixpk= 2023, nxpk= 10, iat= 325, 323, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 MET HA 23 MET HN 5.50 (# 2024:10 Unique 2.80, 2.91 A)
&rst
ixpk= 2024, nxpk= 10, iat= 341, 339, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 32 SER HA 32 SER HN 5.50 (# 2025:10 Unique 2.92, 2.93 A)
&rst
ixpk= 2025, nxpk= 10, iat= 501, 499, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:2026 32 SER HN 5.50 (# 2026:10 Single Ambig)
&rst
ixpk= 2026, nxpk= 10, iat= -1, 499, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 486, 487, 392,
&end
#
# 44 GLU HA 43 GLY HN 5.50 (# 2027:10 Unique 4.62, 4.73 A)
&rst
ixpk= 2027, nxpk= 10, iat= 672, 663, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 45 SER HB- 46 ALA HN 4.20 (# 2029:10 Unique 2.04, 2.86 A)
&rst
ixpk= 2029, nxpk= 10, iat= -1, 696, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 689, 690,
&end
#
# 95 GLN HG+ 95 GLN HN 4.20 (# 2030:10 Unique 2.35, 3.45 A)
&rst
ixpk= 2030, nxpk= 10, iat= -1,1543, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1550,1551,
&end
#
# 95 GLN HB- 95 GLN HN 4.20 (# 2031:10 Unique 2.70, 3.36 A)
&rst
ixpk= 2031, nxpk= 10, iat= -1,1543, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1547,1548,
&end
#
# 0 AMB 10-2:2032 0 AMB 10-1:2032 5.50 (# 2032:10 Double Ambig)
&rst
ixpk= 2032, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
igr1= 525,2378,2383,1655,1659,
igr2= 510, 738,
&end
#
# 50 MET HB+ 50 MET HN 3.50 (# 2033:10 Unique 2.28, 2.53 A)
&rst
ixpk= 2033, nxpk= 10, iat= -1, 748, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 752, 753,
&end
#
# 0 AMB 10-2:2034 0 AMB 10-1:2034 5.50 (# 2034:10 Double Ambig)
&rst
ixpk= 2034, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
igr1= 56, 57,1510,1511, 769, 770,1850,1851,
igr2= 83, 748,1860,
&end
#
# 52 ARG HA 53 GLU HN 5.50 (# 2035:10 Unique 3.52, 3.54 A)
&rst
ixpk= 2035, nxpk= 10, iat= 788, 810, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 52 ARG HB- 53 GLU HN 4.20 (# 2036:10 Unique 2.38, 3.33 A)
&rst
ixpk= 2036, nxpk= 10, iat= -1, 810, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 790, 791,
&end
#
# 53 GLU HA 54 LEU HN 5.50 (# 2037:10 Unique 3.48, 3.50 A)
&rst
ixpk= 2037, nxpk= 10, iat= 812, 825, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 55 PHE HN 54 LEU HN 4.20 (# 2039:10 Unique 2.69, 2.73 A)
&rst
ixpk= 2039, nxpk= 10, iat= 844, 825, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 53 GLU HN 54 LEU HN 3.50 (# 2040:10 Unique 2.48, 2.53 A)
&rst
ixpk= 2040, nxpk= 10, iat= 810, 825, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 0 AMB 10-2:2041 54 LEU HN 5.50 (# 2041:10 Single Ambig)
&rst
ixpk= 2041, nxpk= 10, iat= -1, 825, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 864, 879,
&end
#
# 56 GLU HB- 56 GLU HN 4.20 (# 2042:10 Unique 2.42, 3.09 A)
&rst
ixpk= 2042, nxpk= 10, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 868, 869,
&end
#
# 0 AMB 10-2:2043 56 GLU HN 5.50 (# 2043:10 Single Ambig)
&rst
ixpk= 2043, nxpk= 10, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 886, 887, 898,
&end
#
# 57 GLU HB- 57 GLU HN 2.80 (# 2044:10 Unique 2.31, 3.11 A)
&rst
ixpk= 2044, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1= 883, 884,
&end
#
# 0 AMB 10-2:2045 57 GLU HN 5.50 (# 2045:10 Single Ambig)
&rst
ixpk= 2045, nxpk= 10, iat= -1, 879, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 868, 869, 817, 818,
&end
#
# 61 SER HA 61 SER HN 5.50 (# 2046:10 Unique 2.88, 2.89 A)
&rst
ixpk= 2046, nxpk= 10, iat= 938, 936, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 60 LEU HB- 61 SER HN 4.20 (# 2047:10 Unique 2.65, 3.52 A)
&rst
ixpk= 2047, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 921, 922,
&end
#
# 60 LEU HN 61 SER HN 5.50 (# 2048:10 Unique 4.55, 4.58 A)
&rst
ixpk= 2048, nxpk= 10, iat= 917, 936, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 62 ARG HN 61 SER HN 5.50 (# 2049:10 Unique 4.53, 4.58 A)
&rst
ixpk= 2049, nxpk= 10, iat= 947, 936, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 64 ASP HN 61 SER HN 5.50 (# 2050:10 Unique 3.78, 4.06 A)
&rst
ixpk= 2050, nxpk= 10, iat= 993, 936, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 64 ASP HN 63 LYS HN 2.80 (# 2051:10 Unique 2.32, 2.49 A)
&rst
ixpk= 2051, nxpk= 10, iat= 993, 971, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:2052 65 VAL HN 5.50 (# 2052:10 Single Ambig)
&rst
ixpk= 2052, nxpk= 10, iat= -1,1005, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 951, 952, 924,1028,1029,
&end
#
# 0 AMB 10-2:2053 65 VAL HN 5.50 (# 2053:10 Single Ambig)
&rst
ixpk= 2053, nxpk= 10, iat= -1,1005, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1= 981, 982,1028,1029, 829, 830,
&end
#
# 0 AMB 10-2:2054 65 VAL HN 2.80 (# 2054:10 Single Ambig)
&rst
ixpk= 2054, nxpk= 10, iat= -1,1005, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
igr1=1745,1746,1747,1749,1750,1751, 834, 835, 836, 838,
839, 840,
&end
#
# 0 AMB 10-2:2055 67 ILE HN 4.20 (# 2055:10 Single Ambig)
&rst
ixpk= 2055, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 5.04, r4= 5.79,
igr1=1028,1029,1691,
&end
#
# 0 AMB 10-2:2056 68 LEU HN 2.80 (# 2056:10 Single Ambig)
&rst
ixpk= 2056, nxpk= 10, iat= -1,1064, r1= 0.00, r2= 1.80, r3= 3.87, r4= 4.62,
igr1=1071,1674,1675,1676,1678,1679,1680,
&end
#
# 0 AMB 10-2:2057 68 LEU HN 5.50 (# 2057:10 Single Ambig)
&rst
ixpk= 2057, nxpk= 10, iat= -1,1064, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1688,1689,1055,1056,1025,1026,
&end
#
# 71 THR MG2 70 SER HN 5.50 (# 2058:10 Unique 5.23, 6.22 A)
&rst
ixpk= 2058, nxpk= 10, iat= -1,1093, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1110,1111,1112,
&end
#
# 0 AMB 10-2:2059 79 LEU HN 5.50 (# 2059:10 Single Ambig)
&rst
ixpk= 2059, nxpk= 10, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1295,1347,
&end
#
# 0 AMB 10-2:2061 82 ARG HN 4.20 (# 2061:10 Single Ambig)
&rst
ixpk= 2061, nxpk= 10, iat= -1,1321, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1295,1347,
&end
#
# 83 LEU HG 83 LEU HN 4.20 (# 2062:10 Unique 2.13, 2.96 A)
&rst
ixpk= 2062, nxpk= 10, iat=1352,1345, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 83 LEU HG 84 VAL HN 5.50 (# 2063:10 Unique 3.77, 4.38 A)
&rst
ixpk= 2063, nxpk= 10, iat=1352,1364, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:2064 84 VAL HN 4.20 (# 2064:10 Single Ambig)
&rst
ixpk= 2064, nxpk= 10, iat= -1,1364, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1=1349,1350,1306,1307,1292,1293,1387,1388,
&end
#
# 79 LEU MDX 0 AMB 10-1:2066 5.50 (# 2066:10 Single Ambig)
&rst
ixpk= 2066, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1275,1276,1277,1279,1280,1281,
igr2=1506,1380,
&end
#
# 86 TRP HE1 86 TRP HN 5.50 (# 2067:10 Unique 3.95, 4.01 A)
&rst
ixpk= 2067, nxpk= 10, iat=1414,1404, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 88 THR HA 89 LYS HN 2.80 (# 2069:10 Unique 2.89, 2.90 A)
&rst
ixpk= 2069, nxpk= 10, iat=1442,1454, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:2070 89 LYS HN 5.50 (# 2070:10 Single Ambig)
&rst
ixpk= 2070, nxpk= 10, iat= -1,1454, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1494,1480,1481,
&end
#
# 93 ILE HA 94 GLY HN 4.20 (# 2072:10 Unique 3.03, 3.10 A)
&rst
ixpk= 2072, nxpk= 10, iat=1519,1536, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:2073 47 GLU HN 5.50 (# 2073:10 Single Ambig)
&rst
ixpk= 2073, nxpk= 10, iat= -1, 706, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
igr1=1058,1059,1060,1693,1694,1695,1697,1698,1699,
&end
#
# 102 LEU MDY 101 LEU HN 4.20 (# 2075:10 Unique 3.09, 5.42 A)
&rst
ixpk= 2075, nxpk= 10, iat= -1,1665, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1693,1694,1695,1697,1698,1699,
&end
#
# 0 AMB 10-2:2076 103 GLN HN 4.20 (# 2076:10 Single Ambig)
&rst
ixpk= 2076, nxpk= 10, iat= -1,1703, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
igr1=1011,1012,1013,1015,1016,1017,1693,1694,1695,1697,
1698,1699,1745,1746,1747,1749,1750,1751,
&end
#
# 105 VAL HN 104 LEU HN 5.50 (# 2077:10 Unique 4.38, 4.51 A)
&rst
ixpk= 2077, nxpk= 10, iat=1739,1720, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 105 VAL MGY 106 SER HN 3.50 (# 2078:10 Unique 1.97, 4.04 A)
&rst
ixpk= 2078, nxpk= 10, iat= -1,1755, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1745,1746,1747,1749,1750,1751,
&end
#
# 107 GLY HA+ 109 ALA HN 4.20 (# 2080:10 Unique 2.98, 3.64 A)
&rst
ixpk= 2080, nxpk= 10, iat= -1,1785, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1768,1769,
&end
#
# 110 GLU HG+ 110 GLU HN 5.50 (# 2081:10 Unique 1.97, 3.36 A)
&rst
ixpk= 2081, nxpk= 10, iat= -1,1795, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1802,1803,
&end
#
# 113 MET HB+ 113 MET HN 4.20 (# 2082:10 Unique 2.33, 3.33 A)
&rst
ixpk= 2082, nxpk= 10, iat= -1,1843, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1847,1848,
&end
#
# 114 GLN HN 115 THR HN 4.20 (# 2084:10 Unique 1.94, 2.24 A)
&rst
ixpk= 2084, nxpk= 10, iat=1860,1877, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 116 SER HN 117 SER HN 5.50 (# 2085:10 Unique 4.48, 4.59 A)
&rst
ixpk= 2085, nxpk= 10, iat=1891,1902, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 120 GLU HA 120 GLU HN 4.20 (# 2086:10 Unique 2.86, 2.92 A)
&rst
ixpk= 2086, nxpk= 10, iat=1943,1941, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:2087 120 GLU HN 3.50 (# 2087:10 Single Ambig)
&rst
ixpk= 2087, nxpk= 10, iat= -1,1941, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
igr1=1862, 881,1893,
&end
#
# 119 PRO HB- 120 GLU HN 4.20 (# 2090:10 Unique 2.72, 3.55 A)
&rst
ixpk= 2090, nxpk= 10, iat= -1,1941, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1934,1935,
&end
#
# 0 AMB 10-2:2091 122 ASP HN 5.50 (# 2091:10 Single Ambig)
&rst
ixpk= 2091, nxpk= 10, iat= -1,1976, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1990,1991, 416,
&end
#
# 122 ASP HA 122 ASP HN 5.50 (# 2092:10 Unique 2.27, 2.58 A)
&rst
ixpk= 2092, nxpk= 10, iat=1978,1976, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:2093 0 AMB 10-1:2093 5.50 (# 2093:10 Double Ambig)
&rst
ixpk= 2093, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 446, 454,1364,1419,
igr2=1976,1428,
&end
#
# 124 TRP HN 123 GLY HN 5.50 (# 2094:10 Unique 3.76, 4.31 A)
&rst
ixpk= 2094, nxpk= 10, iat=1995,1988, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 121 PHE HB- 123 GLY HN 5.50 (# 2095:10 Unique 2.57, 3.60 A)
&rst
ixpk= 2095, nxpk= 10, iat= -1,1988, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1960,1961,
&end
#
# 127 VAL MGY 126 TRP HN 5.50 (# 2096:10 Unique 4.21, 6.00 A)
&rst
ixpk= 2096, nxpk= 10, iat= -1,2043, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2073,2074,2075,2077,2078,2079,
&end
#
# 128 SER HN 127 VAL HN 5.50 (# 2097:10 Unique 2.76, 4.17 A)
&rst
ixpk= 2097, nxpk= 10, iat=2083,2067, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 130 TRP HA 130 TRP HN 5.50 (# 2098:10 Unique 2.92, 2.94 A)
&rst
ixpk= 2098, nxpk= 10, iat=2117,2115, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:2099 138 SER HN 5.50 (# 2099:10 Single Ambig)
&rst
ixpk= 2099, nxpk= 10, iat= -1,2263, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2323,2324,2304,2305,
&end
#
# 138 SER HB+ 139 PHE HN 3.50 (# 2100:10 Unique 2.75, 3.67 A)
&rst
ixpk= 2100, nxpk= 10, iat= -1,2274, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2267,2268,
&end
#
# 0 AMB 10-2:2101 0 AMB 10-1:2101 5.50 (# 2101:10 Double Ambig)
&rst
ixpk= 2101, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2265,2391,
igr2=2274,2413,
&end
#
# 139 PHE HB+ 140 LYS HN 5.50 (# 2102:10 Unique 2.80, 3.59 A)
&rst
ixpk= 2102, nxpk= 10, iat= -1,2294, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2278,2279,
&end
#
# 0 AMB 10-2:2103 141 ARG HN 5.50 (# 2103:10 Single Ambig)
&rst
ixpk= 2103, nxpk= 10, iat= -1,2316, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2326,2327,2372,2373,
&end
#
# 140 LYS HB- 141 ARG HN 5.50 (# 2104:10 Unique 3.59, 4.21 A)
&rst
ixpk= 2104, nxpk= 10, iat= -1,2316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2298,2299,
&end
#
# 141 ARG HB+ 142 ASP HN 4.20 (# 2105:10 Unique 2.57, 3.52 A)
&rst
ixpk= 2105, nxpk= 10, iat= -1,2340, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2320,2321,
&end
#
# 0 AMB 10-2:2106 143 VAL HN 5.50 (# 2106:10 Single Ambig)
&rst
ixpk= 2106, nxpk= 10, iat= -1,2352, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2372,2373,2423,2424,2326,2327,
&end
#
# 144 TYR HA 145 ARG HN 5.50 (# 2107:10 Unique 3.49, 3.50 A)
&rst
ixpk= 2107, nxpk= 10, iat=2370,2389, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 147 VAL MGY 146 ARG HN 5.50 (# 2108:10 Unique 3.60, 5.97 A)
&rst
ixpk= 2108, nxpk= 10, iat= -1,2413, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=2443,2444,2445,2447,2448,2449,
&end
#
# 0 AMB 10-2:2109 0 AMB 10-1:2109 3.50 (# 2109:10 Double Ambig)
&rst
ixpk= 2109, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
igr1=2265,2391,
igr2=2274,2413,
&end
#
# 0 AMB 10-2:2110 149 LYS HN 4.20 (# 2110:10 Single Ambig)
&rst
ixpk= 2110, nxpk= 10, iat= -1,2470, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2453,2437,
&end
#
# 151 PHE HN 150 GLU HN 2.80 (# 2111:10 Unique 2.37, 2.44 A)
&rst
ixpk= 2111, nxpk= 10, iat=2507,2492, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 110 GLU HA 110 GLU HN 2.80 (# 2112:10 Unique 2.82, 2.88 A)
&rst
ixpk= 2112, nxpk= 10, iat=1797,1795, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:2113 151 PHE HN 2.80 (# 2113:10 Single Ambig)
&rst
ixpk= 2113, nxpk= 10, iat= -1,2507, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=2527,2492,
&end
#
# 0 AMB 10-2:2114 153 SER HN 5.50 (# 2114:10 Single Ambig)
&rst
ixpk= 2114, nxpk= 10, iat= -1,2537, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2591,2592,2593,2552,
&end
#
# 155 VAL HN 154 VAL HN 2.80 (# 2115:10 Unique 2.48, 2.59 A)
&rst
ixpk= 2115, nxpk= 10, iat=2564,2548, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 154 VAL HN 155 VAL HN 2.80 (# 2116:10 Unique 2.48, 2.59 A)
&rst
ixpk= 2116, nxpk= 10, iat=2548,2564, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:2117 155 VAL HN 5.50 (# 2117:10 Single Ambig)
&rst
ixpk= 2117, nxpk= 10, iat= -1,2564, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=2584,2585,2631,2632,2499,2500,2648,2649,
&end
#
# 155 VAL HA 156 MET HN 4.20 (# 2118:10 Unique 3.51, 3.52 A)
&rst
ixpk= 2118, nxpk= 10, iat=2566,2580, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 155 VAL HN 156 MET HN 3.50 (# 2119:10 Unique 2.66, 2.73 A)
&rst
ixpk= 2119, nxpk= 10, iat=2564,2580, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 159 GLN HB+ 159 GLN HN 3.50 (# 2120:10 Unique 2.32, 2.99 A)
&rst
ixpk= 2120, nxpk= 10, iat= -1,2627, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2631,2632,
&end
#
# 157 SER HA 159 GLN HN 4.20 (# 2121:10 Unique 4.72, 5.04 A)
&rst
ixpk= 2121, nxpk= 10, iat=2599,2627, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:2122 160 GLU HN 5.50 (# 2122:10 Single Ambig)
&rst
ixpk= 2122, nxpk= 10, iat= -1,2644, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
igr1=2617,2618,2619,2621,2622,2623,2617,2618,2619,2621,
2622,2623,2570,2571,2572,2574,2575,2576,
&end
#
# 157 SER HA 160 GLU HN 3.50 (# 2123:10 Unique 3.71, 3.87 A)
&rst
ixpk= 2123, nxpk= 10, iat=2599,2644, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, &end
#
# 161 ASN HB+ 162 THR HN 5.50 (# 2124:10 Unique 2.84, 3.87 A)
&rst
ixpk= 2124, nxpk= 10, iat= -1,2673, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2663,2664,
&end
#
# 0 AMB 10-2:2125 162 THR HN 4.20 (# 2125:10 Single Ambig)
&rst
ixpk= 2125, nxpk= 10, iat= -1,2673, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=2629,2646,
&end
#
# 126 TRP HB+ 22 VAL HN 5.50 (# 2128:10 Unique 3.05, 4.66 A)
&rst
ixpk= 2128, nxpk= 10, iat= -1, 323, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2047,2048,
&end
#
# 104 LEU HN 107 GLY HN 5.50 (# 2129:10 Unique 6.39, 6.90 A)
&rst
ixpk= 2129, nxpk= 10, iat=1720,1766, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 121 PHE HA 123 GLY HN 5.50 (# 2132:10 Unique 3.26, 3.95 A)
&rst
ixpk= 2132, nxpk= 10, iat=1958,1988, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 121 PHE HN 123 GLY HN 5.50 (# 2133:10 Unique 3.59, 5.05 A)
&rst
ixpk= 2133, nxpk= 10, iat=1956,1988, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 35 PHE HN 34 GLN HN 5.50 (# 2134:10 Unique 2.17, 3.73 A)
&rst
ixpk= 2134, nxpk= 10, iat= 551, 534, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:2135 56 GLU HN 5.50 (# 2135:10 Single Ambig)
&rst
ixpk= 2135, nxpk= 10, iat= -1, 864, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 894, 854, 858,
&end
#
# 122 ASP HB+ 122 ASP HN 5.50 (# 2136:10 Unique 2.24, 3.07 A)
&rst
ixpk= 2136, nxpk= 10, iat= -1,1976, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1980,1981,
&end
#
# 31 HIS HA 33 TRP HE1 5.50 (# 2137:10 Unique 5.27, 6.59 A)
&rst
ixpk= 2137, nxpk= 10, iat= 484, 520, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 125 ARG HD- 33 TRP HE1 5.50 (# 2138:10 Unique 4.65, 7.14 A)
&rst
ixpk= 2138, nxpk= 10, iat= -1, 520, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2029,2030,
&end
#
# 0 AMB 10-2:2140 33 TRP HE1 5.50 (# 2140:10 Single Ambig)
&rst
ixpk= 2140, nxpk= 10, iat= -1, 520, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 514, 515, 486, 487, 392,
&end
#
# 140 LYS HG- 140 LYS HN 5.50 (# 2141:10 Unique 2.53, 4.25 A)
&rst
ixpk= 2141, nxpk= 10, iat= -1,2294, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2301,2302,
&end
#
# 0 AMB 10-2:2142 140 LYS HN 5.50 (# 2142:10 Single Ambig)
&rst
ixpk= 2142, nxpk= 10, iat= -1,2294, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2304,2305,2323,2324,
&end
#
# 27 ARG HN 28 PHE HN 5.50 (# 2143:10 Unique 4.40, 4.50 A)
&rst
ixpk= 2143, nxpk= 10, iat= 414, 438, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:2145 24 TRP HE1 5.50 (# 2145:10 Single Ambig)
&rst
ixpk= 2145, nxpk= 10, iat= -1, 366, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 369,2149,2154,
&end
#
# 124 TRP HB- 124 TRP HN 5.50 (# 2150:10 Unique 2.26, 3.25 A)
&rst
ixpk= 2150, nxpk= 10, iat= -1,1995, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1999,2000,
&end
#
# 0 AMB 10-2:2152 99 TRP HE1 5.50 (# 2152:10 Single Ambig)
&rst
ixpk= 2152, nxpk= 10, iat= -1,1631, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1621,2352,
&end
#
# 82 ARG HG+ 82 ARG HE 5.50 (# 2155:10 Unique 2.09, 3.12 A)
&rst
ixpk= 2155, nxpk= 10, iat= -1,1334, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1328,1329,
&end
#
# 82 ARG HG- 82 ARG HE 5.50 (# 2156:10 Unique 2.09, 3.12 A)
&rst
ixpk= 2156, nxpk= 10, iat= -1,1334, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1328,1329,
&end
#
# 72 ARG HB+ 72 ARG HE 4.20 (# 2157:10 Unique 2.04, 3.77 A)
&rst
ixpk= 2157, nxpk= 10, iat= -1,1131, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1122,1123,
&end
#
# 0 AMB 10-2:2159 79 LEU HN 5.50 (# 2159:10 Single Ambig)
&rst
ixpk= 2159, nxpk= 10, iat= -1,1266, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1251,1252,1349,1350,1547,1548,
&end
#
# 0 AMB 10-2:2160 83 LEU HN 4.20 (# 2160:10 Single Ambig)
&rst
ixpk= 2160, nxpk= 10, iat= -1,1345, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1=1289,1290,1325,1326,
&end
#
# 89 LYS HG- 89 LYS HN 5.50 (# 2161:10 Unique 3.17, 3.62 A)
&rst
ixpk= 2161, nxpk= 10, iat= -1,1454, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1461,1462,
&end
#
# 21 GLN HG- 21 GLN HN 4.20 (# 2162:10 Unique 1.94, 3.20 A)
&rst
ixpk= 2162, nxpk= 10, iat= -1, 306, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 313, 314,
&end
#
# 0 AMB 10-2:2163 0 AMB 10-1:2163 4.20 (# 2163:10 Double Ambig)
&rst
ixpk= 2163, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
igr1= 472, 473, 592, 593,
igr2= 465, 585,
&end
#
# 37 GLN HB+ 37 GLN HN 5.50 (# 2164:10 Unique 2.30, 3.19 A)
&rst
ixpk= 2164, nxpk= 10, iat= -1, 585, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 589, 590,
&end
#
# 0 AMB 10-2:2165 16 CYS HN 5.50 (# 2165:10 Single Ambig)
&rst
ixpk= 2165, nxpk= 10, iat= -1, 233, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 224, 225,2612,2613,
&end
#
# 124 TRP HB+ 125 ARG HN 5.50 (# 2166:10 Unique 2.47, 3.68 A)
&rst
ixpk= 2166, nxpk= 10, iat= -1,2019, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1999,2000,
&end
#
# 108 ASP HA 107 GLY HN 5.50 (# 2167:10 Unique 4.75, 4.87 A)
&rst
ixpk= 2167, nxpk= 10, iat=1775,1766, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 92 CYS HB+ 93 ILE HN 5.50 (# 2168:10 Unique 2.93, 3.57 A)
&rst
ixpk= 2168, nxpk= 10, iat= -1,1517, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1510,1511,
&end
#
# 0 AMB 10-2:2169 64 ASP HN 5.50 (# 2169:10 Single Ambig)
&rst
ixpk= 2169, nxpk= 10, iat= -1, 993, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 921, 922, 951, 952,1727,
&end
#
# 63 LYS HD- 63 LYS HN 5.50 (# 2170:10 Unique 4.23, 4.53 A)
&rst
ixpk= 2170, nxpk= 10, iat= -1, 971, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 981, 982,
&end
#
# 0 AMB 10-2:2171 65 VAL HN 5.50 (# 2171:10 Single Ambig)
&rst
ixpk= 2171, nxpk= 10, iat= -1,1005, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 981, 982, 832, 224, 225,
&end
#
# 19 GLN HG+ 19 GLN HE2- 5.50 (# 2172:10 Unique 2.12, 3.24 A)
&rst
ixpk= 2172, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 289, 290,
igr2= 294, 295,
&end
#
# 19 GLN HG+ 19 GLN HE2+ 5.50 (# 2173:10 Unique 2.12, 3.24 A)
&rst
ixpk= 2173, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 289, 290,
igr2= 294, 295,
&end
#
# 72 ARG HD+ 73 ASN HD2+ 5.50 (# 2174:10 Unique 3.37, 5.25 A)
&rst
ixpk= 2174, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1128,1129,
igr2=1151,1152,
&end
#
# 72 ARG HD+ 73 ASN HD2- 5.50 (# 2175:10 Unique 3.37, 5.25 A)
&rst
ixpk= 2175, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1128,1129,
igr2=1151,1152,
&end
#
# 0 AMB 10-2:2176 54 LEU HN 4.20 (# 2176:10 Single Ambig)
&rst
ixpk= 2176, nxpk= 10, iat= -1, 825, r1= 0.00, r2= 1.80, r3= 5.49, r4= 6.24,
igr1= 192, 193, 194, 189, 190,
&end
#
# 97 GLN HG+ 97 GLN HE2- 5.50 (# 2177:10 Unique 2.12, 3.42 A)
&rst
ixpk= 2177, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1589,1590,
igr2=1594,1595,
&end
#
# 79 LEU MDX 84 VAL HN 4.20 (# 2178:10 Unique 3.90, 5.70 A)
&rst
ixpk= 2178, nxpk= 10, iat= -1,1364, r1= 0.00, r2= 1.80, r3= 5.66, r4= 6.41,
igr1=1275,1276,1277,1279,1280,1281,
&end
#
# 18 ARG HG- 103 GLN HE2+ 5.50 (# 2179:10 Unique 1.95, 3.96 A)
&rst
ixpk= 2179, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 265, 266,
igr2=1715,1716,
&end
#
# 103 GLN HB+ 103 GLN HE2+ 5.50 (# 2180:10 Unique 1.93, 3.70 A)
&rst
ixpk= 2180, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1707,1708,
igr2=1715,1716,
&end
#
# 0 AMB 10-2:2181 0 AMB 10-1:2181 5.50 (# 2181:10 Double Ambig)
&rst
ixpk= 2181, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
igr1=1864,1865,1867,1868,
igr2=1872,1873,1872,1873,
&end
#
# 47 GLU HB+ 48 GLN HE2+ 5.50 (# 2182:10 Unique 1.98, 4.16 A)
&rst
ixpk= 2182, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 710, 711,
igr2= 733, 734,
&end
#
# 72 ARG HG- 73 ASN HD2- 5.50 (# 2183:10 Unique 1.95, 5.20 A)
&rst
ixpk= 2183, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1125,1126,
igr2=1151,1152,
&end
#
# 72 ARG HG- 73 ASN HD2+ 5.50 (# 2184:10 Unique 1.95, 5.20 A)
&rst
ixpk= 2184, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1125,1126,
igr2=1151,1152,
&end
#
# 79 LEU MDY 95 GLN HE2- 5.50 (# 2185:10 Unique 2.50, 5.13 A)
&rst
ixpk= 2185, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1275,1276,1277,1279,1280,1281,
igr2=1555,1556,
&end
#
# 97 GLN HG+ 97 GLN HE2+ 5.50 (# 2186:10 Unique 2.12, 3.42 A)
&rst
ixpk= 2186, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1589,1590,
igr2=1594,1595,
&end
#
# 97 GLN HG- 97 GLN HE2+ 5.50 (# 2187:10 Unique 2.12, 3.42 A)
&rst
ixpk= 2187, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1589,1590,
igr2=1594,1595,
&end
#
# 119 PRO HG+ 114 GLN HE2- 5.50 (# 2188:10 Unique 6.02, 8.61 A)
&rst
ixpk= 2188, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1931,1932,
igr2=1872,1873,
&end
#
# 112 ASN HN 112 ASN HD2+ 5.50 (# 2189:10 Unique 4.13, 5.14 A)
&rst
ixpk= 2189, nxpk= 10, iat=1829, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1838,1839,
&end
#
# 112 ASN HN 112 ASN HD2- 5.50 (# 2190:10 Unique 4.13, 5.14 A)
&rst
ixpk= 2190, nxpk= 10, iat=1829, -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr2=1838,1839,
&end
#
# 0 AMB 10-2:2191 0 AMB 10-1:2191 5.50 (# 2191:10 Double Ambig)
&rst
ixpk= 2191, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1860, 786,
igr2=1872,1873, 733, 734,
&end
#
# 0 AMB 10-2:2192 114 GLN HE2- 5.50 (# 2192:10 Single Ambig)
&rst
ixpk= 2192, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1862,1893,
igr2=1872,1873,
&end
#
# 135 GLN HB+ 135 GLN HE2+ 5.50 (# 2193:10 Unique 3.86, 4.62 A)
&rst
ixpk= 2193, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2218,2219,
igr2=2226,2227,
&end
#
# 157 SER HB+ 161 ASN HD2+ 5.50 (# 2194:10 Unique 2.17, 4.06 A)
&rst
ixpk= 2194, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2601,2602,
igr2=2668,2669,
&end
#
# 157 SER HB+ 161 ASN HD2- 5.50 (# 2195:10 Unique 2.17, 4.06 A)
&rst
ixpk= 2195, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2601,2602,
igr2=2668,2669,
&end
#
# 48 GLN HB- 48 GLN HE2- 5.50 (# 2196:10 Unique 3.70, 4.46 A)
&rst
ixpk= 2196, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 725, 726,
igr2= 733, 734,
&end
#
# 0 AMB 10-2:2197 114 GLN HE2- 5.50 (# 2197:10 Single Ambig)
&rst
ixpk= 2197, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1864,1865,1867,1868,
igr2=1872,1873,
&end
#
# 114 GLN HB- 114 GLN HE2- 5.50 (# 2198:10 Unique 2.05, 3.50 A)
&rst
ixpk= 2198, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1864,1865,
igr2=1872,1873,
&end
#
# 114 GLN HB- 114 GLN HE2- 5.50 (# 2199:10 Unique 2.05, 3.50 A)
&rst
ixpk= 2199, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=1864,1865,
igr2=1872,1873,
&end
#
# 0 AMB 10-2:2200 52 ARG HN 4.20 (# 2200:10 Single Ambig)
&rst
ixpk= 2200, nxpk= 10, iat= -1, 786, r1= 0.00, r2= 1.80, r3= 5.29, r4= 6.04,
igr1= 793, 794, 752, 753,
&end
#
# 0 AMB 10-2:2201 52 ARG HN 4.20 (# 2201:10 Single Ambig)
&rst
ixpk= 2201, nxpk= 10, iat= -1, 786, r1= 0.00, r2= 1.80, r3= 5.49, r4= 6.24,
igr1= 829, 830, 742, 743, 744,
&end
#
# 60 LEU HB- 60 LEU HN 4.20 (# 2202:10 Unique 2.12, 2.74 A)
&rst
ixpk= 2202, nxpk= 10, iat= -1, 917, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1= 921, 922,
&end
#
# 87 ASP HN 85 ARG HE 5.50 (# 2203:10 Unique 3.76, 4.97 A)
&rst
ixpk= 2203, nxpk= 10, iat=1428,1393, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 15 ILE HA 15 ILE HN 5.50 (# 2207:10 Unique 2.90, 2.92 A)
&rst
ixpk= 2207, nxpk= 10, iat= 216, 214, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 2 ILE QD1 2 ILE HN 5.50 (# 2208:10 Unique 2.52, 4.38 A)
&rst
ixpk= 2208, nxpk= 10, iat= -1, 21, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 34, 35, 36,
&end
#
# 0 AMB 10-2:2209 0 AMB 10-1:2209 3.50 (# 2209:10 Double Ambig)
&rst
ixpk= 2209, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1= 25,2023,2024,
igr2= 21,2043,
&end
#
# 7 TYR HN 3 ASP HN 5.50 (# 2210:10 Unique 2.91, 3.43 A)
&rst
ixpk= 2210, nxpk= 10, iat= 83, 40, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 23 MET HB+ 23 MET HN 5.50 (# 2211:10 Unique 2.13, 2.86 A)
&rst
ixpk= 2211, nxpk= 10, iat= -1, 339, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 343, 344,
&end
#
# 0 AMB 10-2:2212 0 AMB 10-1:2212 5.50 (# 2212:10 Double Ambig)
&rst
ixpk= 2212, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1547,1548, 713, 714,
igr2=1543, 706,
&end
#
# 8 ARG HD- 95 GLN HN 5.50 (# 2213:10 Unique 6.74, 7.65 A)
&rst
ixpk= 2213, nxpk= 10, iat= -1,1543, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 114, 115,
&end
#
# 18 ARG HA 20 GLY HN 4.20 (# 2214:10 Unique 3.46, 3.72 A)
&rst
ixpk= 2214, nxpk= 10, iat= 260, 299, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 74 TRP HB- 74 TRP HN 2.80 (# 2215:10 Unique 2.45, 3.07 A)
&rst
ixpk= 2215, nxpk= 10, iat= -1,1156, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
igr1=1160,1161,
&end
#
# 0 AMB 10-2:2216 19 GLN HN 5.50 (# 2216:10 Single Ambig)
&rst
ixpk= 2216, nxpk= 10, iat= -1, 282, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 237, 238,2098,2099,
&end
#
# 61 SER HB+ 61 SER HN 3.50 (# 2218:10 Unique 2.13, 3.09 A)
&rst
ixpk= 2218, nxpk= 10, iat= -1, 936, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1= 940, 941,
&end
#
# 0 AMB 10-2:2219 67 ILE HN 5.50 (# 2219:10 Single Ambig)
&rst
ixpk= 2219, nxpk= 10, iat= -1,1045, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1=1028,1029,1691,
&end
#
# 99 TRP HE3 13 ILE HN 5.50 (# 2220:10 Unique 4.57, 4.87 A)
&rst
ixpk= 2220, nxpk= 10, iat=1640, 179, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 34 GLN HN 35 PHE HN 5.50 (# 2221:10 Unique 2.17, 3.73 A)
&rst
ixpk= 2221, nxpk= 10, iat= 534, 551, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 96 LYS HN 97 GLN HN 5.50 (# 2222:10 Unique 4.39, 4.46 A)
&rst
ixpk= 2222, nxpk= 10, iat=1560,1582, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:2223 64 ASP HN 4.20 (# 2223:10 Single Ambig)
&rst
ixpk= 2223, nxpk= 10, iat= -1, 993, r1= 0.00, r2= 1.80, r3= 6.35, r4= 7.10,
igr1=1745,1746,1747,1749,1750,1751, 834, 835, 836, 838,
839, 840,
&end
#
# 13 ILE HN 37 GLN HN 5.50 (# 2225:10 Unique 4.75, 5.23 A)
&rst
ixpk= 2225, nxpk= 10, iat= 179, 585, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:2226 69 ALA HN 5.50 (# 2226:10 Single Ambig)
&rst
ixpk= 2226, nxpk= 10, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1=1688,1689,1055,1056,1025,1026,2612,2613,
&end
#
# 101 LEU HG 69 ALA HN 5.50 (# 2227:10 Unique 2.88, 3.81 A)
&rst
ixpk= 2227, nxpk= 10, iat=1672,1083, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:2228 69 ALA HN 4.20 (# 2228:10 Single Ambig)
&rst
ixpk= 2228, nxpk= 10, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
igr1=1693,1694,1695,1697,1698,1699,1058,1059,1060,
&end
#
# 68 LEU HB- 69 ALA HN 5.50 (# 2229:10 Unique 2.46, 3.30 A)
&rst
ixpk= 2229, nxpk= 10, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1068,1069,
&end
#
# 0 AMB 10-2:2231 0 AMB 10-1:2231 3.50 (# 2231:10 Double Ambig)
&rst
ixpk= 2231, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
igr1=2197,2198,2396,2397,
igr2=2226,2227,2226,2227,
&end
#
# 134 ARG HG+ 135 GLN HE2- 5.50 (# 2232:10 Unique 4.17, 4.96 A)
&rst
ixpk= 2232, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2197,2198,
igr2=2226,2227,
&end
#
# 33 TRP HE1 33 TRP HN 5.50 (# 2233:10 Unique 4.09, 4.92 A)
&rst
ixpk= 2233, nxpk= 10, iat= 520, 510, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 82 ARG HN 81 LYS HN 2.80 (# 2234:10 Unique 2.49, 2.62 A)
&rst
ixpk= 2234, nxpk= 10, iat=1321,1299, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, &end
#
# 0 AMB 10-2:2235 13 ILE HN 5.50 (# 2235:10 Single Ambig)
&rst
ixpk= 2235, nxpk= 10, iat= -1, 179, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 602, 879,
&end
#
# 99 TRP HA 14 VAL HN 5.50 (# 2236:10 Unique 5.28, 5.43 A)
&rst
ixpk= 2236, nxpk= 10, iat=1623, 198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 102 LEU HN 16 CYS HN 4.20 (# 2237:10 Unique 3.75, 3.96 A)
&rst
ixpk= 2237, nxpk= 10, iat=1684, 233, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 26 ARG HN 123 GLY HN 5.50 (# 2239:10 Unique 3.98, 5.66 A)
&rst
ixpk= 2239, nxpk= 10, iat= 390,1988, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 101 LEU HN 68 LEU HN 5.50 (# 2240:10 Unique 4.16, 4.46 A)
&rst
ixpk= 2240, nxpk= 10, iat=1665,1064, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 14 VAL HN 102 LEU HN 5.50 (# 2241:10 Unique 3.58, 4.07 A)
&rst
ixpk= 2241, nxpk= 10, iat= 198,1684, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 149 LYS HN 147 VAL HN 5.50 (# 2242:10 Unique 3.77, 3.82 A)
&rst
ixpk= 2242, nxpk= 10, iat=2470,2437, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 154 VAL HN 152 ALA HN 5.50 (# 2243:10 Unique 4.23, 4.44 A)
&rst
ixpk= 2243, nxpk= 10, iat=2548,2527, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 21 GLN HG+ 22 VAL HN 5.50 (# 2244:10 Unique 3.90, 4.76 A)
&rst
ixpk= 2244, nxpk= 10, iat= -1, 323, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 313, 314,
&end
#
# 24 TRP HE1 33 TRP HN 5.50 (# 2246:10 Unique 8.60,10.17 A)
&rst
ixpk= 2246, nxpk= 10, iat= 366, 510, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 0 AMB 10-2:2247 122 ASP HN 5.50 (# 2247:10 Single Ambig)
&rst
ixpk= 2247, nxpk= 10, iat= -1,1976, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1941, 438,
&end
#
# 101 LEU MDY 155 VAL HN 3.50 (# 2248:10 Unique 3.95, 5.70 A)
&rst
ixpk= 2248, nxpk= 10, iat= -1,2564, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 101 LEU MDX 155 VAL HN 5.50 (# 2249:10 Unique 3.95, 5.70 A)
&rst
ixpk= 2249, nxpk= 10, iat= -1,2564, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 0 AMB 10-2:2250 86 TRP HE1 4.20 (# 2250:10 Single Ambig)
&rst
ixpk= 2250, nxpk= 10, iat= -1,1414, r1= 0.00, r2= 1.80, r3= 5.49, r4= 6.24,
igr1=1309,1310,1384,1385,1494,
&end
#
# 102 LEU HG 102 LEU HN 4.20 (# 2251:10 Unique 2.08, 2.37 A)
&rst
ixpk= 2251, nxpk= 10, iat=1691,1684, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 0 AMB 10-2:2252 136 VAL HN 5.50 (# 2252:10 Single Ambig)
&rst
ixpk= 2252, nxpk= 10, iat= -1,2231, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1=2167,2168,2304,2305,
&end
#
# 0 AMB 10-2:2253 0 AMB 10-1:2253 5.50 (# 2253:10 Double Ambig)
&rst
ixpk= 2253, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
igr1=1206,1207,1570,1571,1609,1610,
igr2=1543, 706,
&end
#
# 0 AMB 10-2:2254 69 ALA HN 3.50 (# 2254:10 Single Ambig)
&rst
ixpk= 2254, nxpk= 10, iat= -1,1083, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
igr1=1693,1694,1695,1697,1698,1699,1073,1074,1075,1077,
1078,1079,1055,1056,
&end
#
# 66 ARG HG- 66 ARG HN 4.20 (# 2255:10 Unique 2.68, 3.70 A)
&rst
ixpk= 2255, nxpk= 10, iat= -1,1021, r1= 0.00, r2= 1.80, r3= 4.71, r4= 5.46,
igr1=1028,1029,
&end
#
# 134 ARG HD+ 134 ARG HE 3.50 (# 2257:10 Unique 2.28, 2.74 A)
&rst
ixpk= 2257, nxpk= 10, iat= -1,2203, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
igr1=2200,2201,
&end
#
# 0 AMB 10-2:2258 0 AMB 10-1:2258 5.50 (# 2258:10 Double Ambig)
&rst
ixpk= 2258, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
igr1= 262, 263,2194,2195,
igr2= 271,2203,
&end
#
# 40 ILE QD1 11 VAL HN 5.50 (# 2259:10 Unique 4.04, 5.59 A)
&rst
ixpk= 2259, nxpk= 10, iat= -1, 156, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
igr1= 629, 630, 631,
&end
#
# 9 PRO HG+ 40 ILE HN 5.50 (# 2261:10 Unique 2.63, 4.15 A)
&rst
ixpk= 2261, nxpk= 10, iat= -1, 616, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1= 132, 133,
&end
#
# 132 PRO HB- 24 TRP HE1 5.50 (# 2262:10 Unique 2.00, 6.36 A)
&rst
ixpk= 2262, nxpk= 10, iat= -1, 366, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2167,2168,
&end
#
# 0 AMB 10-2:2264 74 TRP HE1 5.50 (# 2264:10 Single Ambig)
&rst
ixpk= 2264, nxpk= 10, iat= -1,1166, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
igr1= 700, 701, 702,1203,1204,
&end
#
# 161 ASN HD2+ 162 THR HN 5.50 (# 2267:10 Unique)
&rst
ixpk= 2267, nxpk= 10, iat= -1,2673, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=2668,2669,
&end
#
# 154 VAL HA 155 VAL HN 5.50 (# 2269:10 Unique 3.51, 3.53 A)
&rst
ixpk= 2269, nxpk= 10, iat=2550,2564, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, &end
#
# 152 ALA HA 155 VAL HN 4.20 (# 2270:10 Unique 3.10, 3.33 A)
&rst
ixpk= 2270, nxpk= 10, iat=2529,2564, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95, &end
#
# 8 ARG HD- 95 GLN HE2+ 5.50 (# 2271:10 Unique 3.72, 6.33 A)
&rst
ixpk= 2271, nxpk= 10, iat= -1, -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
igr1= 114, 115,
igr2=1555,1556,
&end
#
# 100 PHE HD 101 LEU HN 5.50 (# 2272:10 Unique 3.56, 4.55 A)
&rst
ixpk= 2272, nxpk= 10, iat= -1,1665, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
igr1=1653,1661,
&end
#
# 0 AMB 10-2:2273 126 TRP HN 2.80 (# 2273:10 Single Ambig)
&rst
ixpk= 2273, nxpk= 10, iat= -1,2043, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
igr1=2023,2024, 310, 311,
&end
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