NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
480556 |
2k77   |
15910 | cing | 1-original | 6 | AMBER | distance | general distance | ambi |
##############################
# NOE & H-bond Distances
#
# 145 ASN HN 0 AMB m:5 3.60 (# 5.1 Single Ambig [HA 145 HA 144] )
&rst
ixpk= 5, nxpk= 0, iat=2258, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr2=2260,2249,
&end
#
# 145 ASN HN 145 ASN QB 4.70 (# 9.1 Unique )
&rst
ixpk= 9, nxpk= 0, iat=2258, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2262,2263,
&end
#
# 15 ALA HN 0 AMB m:13 3.30 (# 13.1 Single Ambig [HA 12 HA 15] )
&rst
ixpk= 13, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 191, 248,
&end
#
# 15 ALA HN 14 LEU QB 3.80 (# 21.1 Unique )
&rst
ixpk= 21, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 231, 232,
&end
#
# 15 ALA HN 0 AMB m:25 2.80 (# 25.1 Single Ambig [MB 15 QB 14] )
&rst
ixpk= 25, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 250, 251, 252, 231, 232,
&end
#
# 49 ALA HN 48 LYS HA 4.60 (# 32.1 Unique )
&rst
ixpk= 32, nxpk= 0, iat= 756, 736, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 52 ALA HN 0 AMB m:38 4.10 (# 38.1 Single Ambig [HA 51 HA 48] )
&rst
ixpk= 38, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 787, 736,
&end
#
# 52 ALA HN 0 AMB m:42 4.10 (# 42.1 Single Ambig [HA 49 HA 50] )
&rst
ixpk= 42, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 758, 768,
&end
#
# 49 ALA HN 48 LYS QB 3.80 (# 50.1 Unique )
&rst
ixpk= 50, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 738, 739,
&end
#
# 49 ALA HN 45 ILE MG2 4.50 (# 60.1 Unique; orig = 3.80 )
&rst
ixpk= 60, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 701, 702, 703,
&end
#
# 116 GLY HN 116 GLY QA 2.90 (# 69.1 Unique )
&rst
ixpk= 69, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1824,1825,
&end
#
# 78 ILE HN 78 ILE QG1 4.80 (# 82.1 Unique )
&rst
ixpk= 82, nxpk= 0, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1204,1205,
&end
#
# 131 LEU HN 130 SER QB 3.50 (# 93.1 Unique )
&rst
ixpk= 93, nxpk= 0, iat=2027, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2020,2021,
&end
#
# 17 ALA HN 0 AMB m:97 3.40 (# 97.1 Single Ambig [HA 17 HA 16] )
&rst
ixpk= 97, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 277, 258,
&end
#
# 129 VAL HN 125 ASN HA 3.80 (# 101.1 Unique )
&rst
ixpk= 101, nxpk= 0, iat=2000,1948, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 131 LEU HN 0 AMB m:104 3.30 (# 104.1 Single Ambig [QB 130 HA 131] )
&rst
ixpk= 104, nxpk= 0, iat=2027, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=2020,2021,2029,
&end
#
# 129 VAL HN 128 GLY QA 4.50 (# 112.1 Unique )
&rst
ixpk= 112, nxpk= 0, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1995,1996,
&end
#
# 17 ALA HN 16 LEU QB 3.90 (# 119.1 Unique )
&rst
ixpk= 119, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 260, 261,
&end
#
# 84 ALA HN 83 ARG QB 4.00 (# 126.1 Unique )
&rst
ixpk= 126, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1283,1284,
&end
#
# 131 LEU HN 131 LEU QB 3.30 (# 131.1 Unique )
&rst
ixpk= 131, nxpk= 0, iat=2027, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=2031,2032,
&end
#
# 131 LEU HN 0 AMB m:145 4.10 (# 145.1 Single Ambig [MD1 131 MG2 113] )
&rst
ixpk= 145, nxpk= 0, iat=2027, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=2036,2037,2038,1770,1771,1772,
&end
#
# 6 PHE HN 6 PHE HA 3.70 (# 154.1 Unique )
&rst
ixpk= 154, nxpk= 0, iat= 89, 91, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 10 ALA HN 7 THR HG1 3.80 (# 157.1 Unique )
&rst
ixpk= 157, nxpk= 0, iat= 162, 119, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 2 MET HN 2 MET HA 3.30 (# 160.1 Unique )
&rst
ixpk= 160, nxpk= 0, iat= 21, 23, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 74 MET HN 74 MET HA 3.40 (# 163.1 Unique )
&rst
ixpk= 163, nxpk= 0, iat=1135,1137, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 74 MET HN 73 GLU HA 2.20 (# 169.1 Unique )
&rst
ixpk= 169, nxpk= 0, iat=1135,1122, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 10 ALA HN 10 ALA HA 3.40 (# 175.1 Unique )
&rst
ixpk= 175, nxpk= 0, iat= 162, 164, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 21 ALA HN 21 ALA HA 3.60 (# 178.1 Unique )
&rst
ixpk= 178, nxpk= 0, iat= 332, 334, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 6 PHE HN 6 PHE QB 3.30 (# 181.1 Unique )
&rst
ixpk= 181, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 93, 94,
&end
#
# 74 MET HN 0 AMB m:199 3.30 (# 199.1 Single Ambig [QB 73 QB 74] )
&rst
ixpk= 199, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1124,1125,1139,1140,
&end
#
# 12 LYS HN 0 AMB m:204 3.10 (# 204.1 Single Ambig [QB 11 QB 12] )
&rst
ixpk= 204, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 176, 177, 193, 194,
&end
#
# 12 LYS HN 12 LYS QB 3.40 (# 210.1 Unique )
&rst
ixpk= 210, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 193, 194,
&end
#
# 2 MET HN 2 MET QB 4.10 (# 218.1 Unique )
&rst
ixpk= 218, nxpk= 0, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 25, 26,
&end
#
# 10 ALA HN 0 AMB m:222 3.00 (# 222.1 Single Ambig [MB 10 QB 9] )
&rst
ixpk= 222, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 166, 167, 168, 142, 143,
&end
#
# 8 GLU HN 7 THR HB 2.90 (# 229.1 Unique )
&rst
ixpk= 229, nxpk= 0, iat= 123, 113, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 80 TYR HN 79 HIS HA 3.00 (# 232.1 Unique )
&rst
ixpk= 232, nxpk= 0, iat=1230,1215, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 8 GLU HN 7 THR HA 2.80 (# 235.1 Unique )
&rst
ixpk= 235, nxpk= 0, iat= 123, 111, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB m:241a 0 AMB m:241b 2.50 (# 241.1 Double Ambig [HN 76 HN 73] [HA 75 HA 72] )
&rst
ixpk= 241, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1163,1120,
igr2=1154,1105,
&end
#
# 0 AMB m:245a 0 AMB m:245b 3.10 (# 245.1 Double Ambig [HN 117 HN 55] [HA 117 HA 55] )
&rst
ixpk= 245, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1829, 838,
igr2=1831, 840,
&end
#
# 8 GLU HN 8 GLU HA 3.40 (# 249.1 Unique )
&rst
ixpk= 249, nxpk= 0, iat= 123, 125, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 0 AMB m:255a 0 AMB m:255b 3.30 (# 255.1 Double Ambig [HN 76 HN 73] [HA 76 HA 73] )
&rst
ixpk= 255, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1163,1120,
igr2=1165,1122,
&end
#
# 38 LEU HN 38 LEU HA 3.10 (# 259.1 Unique )
&rst
ixpk= 259, nxpk= 0, iat= 592, 594, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 89 GLU HN 86 LYS HA 4.00 (# 262.1 Unique )
&rst
ixpk= 262, nxpk= 0, iat=1392,1337, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 ARG HN 23 ARG HA 3.60 (# 271.1 Unique )
&rst
ixpk= 271, nxpk= 0, iat= 361, 363, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 0 AMB m:274a 0 AMB m:274b 4.60 (# 274.1 Double Ambig [HN 76 HN 73] [QB 75 QA 71] )
&rst
ixpk= 274, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1163,1120,
igr2=1156,1157,1098,1099,
&end
#
# 38 LEU HN 35 LEU HA 4.70 (# 279.1 Unique )
&rst
ixpk= 279, nxpk= 0, iat= 592, 549, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 80 TYR HN 79 HIS QB 4.90 (# 293.1 Unique )
&rst
ixpk= 293, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1217,1218,
&end
#
# 38 LEU HN 37 GLY QA 3.80 (# 297.1 Unique )
&rst
ixpk= 297, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 587, 588,
&end
#
# 126 ASN HN 126 ASN QB 3.40 (# 305.1 Unique )
&rst
ixpk= 305, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1964,1965,
&end
#
# 33 HIS HN 33 HIS QB 3.30 (# 309.1 Unique )
&rst
ixpk= 309, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 515, 516,
&end
#
# 80 TYR HN 80 TYR QB 3.60 (# 313.1 Unique )
&rst
ixpk= 313, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1234,1235,
&end
#
# 126 ASN HN 0 AMB m:317 3.60 (# 317.1 Single Ambig [QB 125 QB 126] )
&rst
ixpk= 317, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1950,1951,1964,1965,
&end
#
# 8 GLU HN 8 GLU QB 3.40 (# 341.1 Unique )
&rst
ixpk= 341, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 127, 128,
&end
#
# 23 ARG HN 23 ARG QB 3.40 (# 345.1 Unique )
&rst
ixpk= 345, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 365, 366,
&end
#
# 0 AMB m:349a 0 AMB m:349b 4.50 (# 349.1 Double Ambig [HN 76 HN 73] [QB 76 QB 72] )
&rst
ixpk= 349, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1163,1120,
igr2=1167,1168,1107,1108,
&end
#
# 0 AMB m:354a 0 AMB m:354b 3.40 (# 354.1 Double Ambig [HN 73 HN 76] [QB 73 QB 76] )
&rst
ixpk= 354, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=1120,1163,
igr2=1124,1125,1167,1168,
&end
#
# 89 GLU HN 0 AMB m:367 3.00 (# 367.1 Single Ambig [QG 89 HB 88 QB 89] )
&rst
ixpk= 367, nxpk= 0, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1399,1400,1377,1396,1397,
&end
#
# 88 ILE HN 88 ILE HB 3.10 (# 373.1 Unique )
&rst
ixpk= 373, nxpk= 0, iat=1373,1377, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 23 ARG HN 22 LEU QB 4.10 (# 376.1 Unique )
&rst
ixpk= 376, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 346, 347,
&end
#
# 73 GLU HN 73 GLU QB 3.30 (# 380.1 Unique )
&rst
ixpk= 380, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1124,1125,
&end
#
# 38 LEU HN 38 LEU HG 3.60 (# 384.1 Unique )
&rst
ixpk= 384, nxpk= 0, iat= 592, 599, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 55 LEU HN 55 LEU QB 3.30 (# 387.1 Unique )
&rst
ixpk= 387, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 842, 843,
&end
#
# 41 GLU HN 0 AMB m:391 2.80 (# 391.1 Single Ambig [QB 40 QB 41] )
&rst
ixpk= 391, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 631, 632, 655, 656,
&end
#
# 23 ARG HN 0 AMB m:400 4.50 (# 400.1 Single Ambig [QB 23 QB 22] )
&rst
ixpk= 400, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 365, 366, 346, 347,
&end
#
# 0 AMB m:410a 0 AMB m:410b 3.30 (# 410.1 Double Ambig [HN 117 HN 55] [MB 121 HG 55] )
&rst
ixpk= 410, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1829, 838,
igr2=1881,1882,1883, 845,
&end
#
# 88 ILE HN 88 ILE QG1 3.40 (# 414.1 Unique )
&rst
ixpk= 414, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1383,1384,
&end
#
# 38 LEU HN 0 AMB m:425 4.30 (# 425.1 Single Ambig [MD1 38 MD2 38] )
&rst
ixpk= 425, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 601, 602, 603, 605, 606, 607,
&end
#
# 55 LEU HN 0 AMB m:429 4.60 (# 429.1 Single Ambig [MD2 55 MD1 55] )
&rst
ixpk= 429, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 851, 852, 853, 847, 848, 849,
&end
#
# 33 HIS HN 32 GLU HN 4.40 (# 436.1 Unique )
&rst
ixpk= 436, nxpk= 0, iat= 511, 496, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 117 GLU HN 118 GLY HN 4.50 (# 439.1 Unique; orig = 3.10 )
&rst
ixpk= 439, nxpk= 0, iat=1829,1844, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 HIS HN 100 HIS HA 3.80 (# 448.1 Unique )
&rst
ixpk= 448, nxpk= 0, iat=1563,1565, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 79 HIS HN 79 HIS HA 3.50 (# 454.1 Unique )
&rst
ixpk= 454, nxpk= 0, iat=1213,1215, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 PHE HN 3 PHE HA 3.60 (# 457.1 Unique )
&rst
ixpk= 457, nxpk= 0, iat= 38, 40, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 90 LEU HN 90 LEU HA 3.60 (# 469.1 Unique )
&rst
ixpk= 469, nxpk= 0, iat=1407,1409, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 16 LEU HN 0 AMB m:472 4.70 (# 472.1 Single Ambig [HA 15 HA 12] )
&rst
ixpk= 472, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 248, 191,
&end
#
# 16 LEU HN 16 LEU HA 3.60 (# 476.1 Unique )
&rst
ixpk= 476, nxpk= 0, iat= 256, 258, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 93 ASP HN 0 AMB m:485 3.80 (# 485.1 Single Ambig [HA 90 HA 91] )
&rst
ixpk= 485, nxpk= 0, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1409,1428,
&end
#
# 58 GLU HN 0 AMB m:492 3.60 (# 492.1 Single Ambig [QB 57 HA 57] )
&rst
ixpk= 492, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 868, 869, 866,
&end
#
# 112 LEU HN 0 AMB m:500 4.30 (# 500.1 Single Ambig [HA 109 HA 110] )
&rst
ixpk= 500, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1702,1721,
&end
#
# 112 LEU HN 111 GLY QA 3.90 (# 504.1 Unique )
&rst
ixpk= 504, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1740,1741,
&end
#
# 134 ALA HN 131 LEU HA 4.30 (# 511.1 Unique )
&rst
ixpk= 511, nxpk= 0, iat=2082,2029, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 97 LYS HN 0 AMB m:517 3.60 (# 517.1 Single Ambig [HA 97 HA 94] )
&rst
ixpk= 517, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1517,1468,
&end
#
# 100 HIS HN 99 GLY QA 4.00 (# 521.1 Unique )
&rst
ixpk= 521, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1558,1559,
&end
#
# 43 GLU HN 0 AMB m:528 4.00 (# 528.1 Single Ambig [HA 41 QA 42] )
&rst
ixpk= 528, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 653, 668, 669,
&end
#
# 95 ALA HN 0 AMB m:533 3.60 (# 533.1 Single Ambig [QB 107 HA 94] )
&rst
ixpk= 533, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1668,1669,1468,
&end
#
# 79 HIS HN 79 HIS QB 3.80 (# 545.1 Unique )
&rst
ixpk= 545, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1217,1218,
&end
#
# 107 HIS HN 107 HIS QB 3.40 (# 549.1 Unique )
&rst
ixpk= 549, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1668,1669,
&end
#
# 100 HIS HN 100 HIS QB 3.10 (# 553.1 Unique )
&rst
ixpk= 553, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1567,1568,
&end
#
# 3 PHE HN 3 PHE QB 3.60 (# 557.1 Unique )
&rst
ixpk= 557, nxpk= 0, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 42, 43,
&end
#
# 90 LEU HN 0 AMB m:581 4.00 (# 581.1 Single Ambig [QB 89 QG 89] )
&rst
ixpk= 581, nxpk= 0, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1396,1397,1399,1400,
&end
#
# 90 LEU HN 90 LEU QB 3.30 (# 586.1 Unique )
&rst
ixpk= 586, nxpk= 0, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1411,1412,
&end
#
# 90 LEU HN 90 LEU HG 3.30 (# 590.1 Unique )
&rst
ixpk= 590, nxpk= 0, iat=1407,1414, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 16 LEU HN 16 LEU QB 3.30 (# 593.1 Unique )
&rst
ixpk= 593, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 260, 261,
&end
#
# 58 GLU HN 59 LYS QB 6.00 (# 597.1 Unique )
&rst
ixpk= 597, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 894, 895,
&end
#
# 112 LEU HN 112 LEU QB 3.30 (# 601.1 Unique )
&rst
ixpk= 601, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1749,1750,
&end
#
# 97 LYS HN 96 ARG QB 3.80 (# 605.1 Unique )
&rst
ixpk= 605, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1495,1496,
&end
#
# 93 ASP HN 92 MET QB 3.60 (# 613.1 Unique )
&rst
ixpk= 613, nxpk= 0, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1441,1442,
&end
#
# 16 LEU HN 16 LEU HG 3.00 (# 617.1 Unique )
&rst
ixpk= 617, nxpk= 0, iat= 256, 263, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 112 LEU HN 112 LEU HG 2.90 (# 620.1 Unique )
&rst
ixpk= 620, nxpk= 0, iat=1745,1752, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 134 ALA HN 133 LYS QB 3.40 (# 623.1 Unique )
&rst
ixpk= 623, nxpk= 0, iat=2082, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=2064,2065,
&end
#
# 97 LYS HN 97 LYS QB 3.10 (# 627.1 Unique )
&rst
ixpk= 627, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1519,1520,
&end
#
# 97 LYS HN 97 LYS QB 4.00 (# 631.1 Unique )
&rst
ixpk= 631, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1519,1520,
&end
#
# 3 PHE HN 2 MET QB 4.70 (# 637.1 Unique )
&rst
ixpk= 637, nxpk= 0, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 25, 26,
&end
#
# 115 GLU HN 0 AMB m:644 2.80 (# 644.1 Single Ambig [QB 114 QB 115] )
&rst
ixpk= 644, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1787,1788,1811,1812,
&end
#
# 29 ILE HN 0 AMB m:666 3.30 (# 666.1 Single Ambig [HB 29 MG2 81] )
&rst
ixpk= 666, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 460,1257,1258,1259,
&end
#
# 107 HIS HN 106 GLU QG 2.80 (# 676.1 Unique )
&rst
ixpk= 676, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1656,1657,
&end
#
# 90 LEU HN 0 AMB m:680 5.40 (# 680.1 Single Ambig [MD2 90 MD1 90] )
&rst
ixpk= 680, nxpk= 0, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2=1420,1421,1422,1416,1417,1418,
&end
#
# 16 LEU HN 0 AMB m:684 4.60 (# 684.1 Single Ambig [MD2 16 MD1 16] )
&rst
ixpk= 684, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 112 LEU HN 0 AMB m:690 4.00 (# 690.1 Single Ambig [MD1 112 MG1 87 QG1 113] )
&rst
ixpk= 690, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1754,1755,1756,1363,1364,1365,1774,1775,
&end
#
# 107 HIS HN 106 GLU HN 4.10 (# 702.1 Unique )
&rst
ixpk= 702, nxpk= 0, iat=1664,1649, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 92 MET HN 91 SER HG 5.60 (# 705.1 Unique )
&rst
ixpk= 705, nxpk= 0, iat=1437,1433, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 20 GLU HN 0 AMB m:717 4.30 (# 717.1 Single Ambig [HA 17 HA 16] )
&rst
ixpk= 717, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 277, 258,
&end
#
# 86 LYS HN 0 AMB m:721 3.60 (# 721.1 Single Ambig [HA 86 HA 83] )
&rst
ixpk= 721, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1337,1281,
&end
#
# 92 MET HN 0 AMB m:731 3.90 (# 731.1 Single Ambig [QB 91 HA 89] )
&rst
ixpk= 731, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1430,1431,1394,
&end
#
# 92 MET HN 92 MET QB 3.60 (# 767.1 Unique )
&rst
ixpk= 767, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1441,1442,
&end
#
# 20 GLU HN 0 AMB m:771 3.50 (# 771.1 Single Ambig [QB 19 QG 19] )
&rst
ixpk= 771, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 306, 307, 309, 310,
&end
#
# 86 LYS HN 0 AMB m:787 3.10 (# 787.1 Single Ambig [QB 86 QB 85] )
&rst
ixpk= 787, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1339,1340,1317,1318,
&end
#
# 123 VAL HN 122 ARG QB 2.80 (# 800.1 Unique )
&rst
ixpk= 800, nxpk= 0, iat=1911, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1891,1892,
&end
#
# 63 GLU HN 62 LYS QB 4.50 (# 804.1 Unique )
&rst
ixpk= 804, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 952, 953,
&end
#
# 133 LYS HN 133 LYS QB 3.10 (# 810.1 Unique )
&rst
ixpk= 810, nxpk= 0, iat=2060, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=2064,2065,
&end
#
# 67 LEU HN 0 AMB m:814 3.00 (# 814.1 Single Ambig [QB 67 HG 67] )
&rst
ixpk= 814, nxpk= 0, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1031,1032,1034,
&end
#
# 123 VAL HN 0 AMB m:826 4.30 (# 826.1 Single Ambig [MD1 67 MG1 123] )
&rst
ixpk= 826, nxpk= 0, iat=1911, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1036,1037,1038,1917,1918,1919,
&end
#
# 67 LEU HN 0 AMB m:830 5.00 (# 830.1 Single Ambig [MD1 67 MD2 67] )
&rst
ixpk= 830, nxpk= 0, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 103 VAL HN 6 PHE HA 3.80 (# 834.1 Unique )
&rst
ixpk= 834, nxpk= 0, iat=1612, 91, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 70 ARG HN 70 ARG HA 3.90 (# 843.1 Unique )
&rst
ixpk= 843, nxpk= 0, iat=1072,1074, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 26 HIS HN 22 LEU HA 4.30 (# 850.1 Unique )
&rst
ixpk= 850, nxpk= 0, iat= 411, 344, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 87 VAL HN 86 LYS HA 4.50 (# 856.1 Unique )
&rst
ixpk= 856, nxpk= 0, iat=1357,1337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 LYS HN 0 AMB m:862 3.40 (# 862.1 Single Ambig [HA 59 HA 58] )
&rst
ixpk= 862, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 892, 877,
&end
#
# 26 HIS HN 25 GLY QA 4.50 (# 869.1 Unique )
&rst
ixpk= 869, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 406, 407,
&end
#
# 26 HIS HN 26 HIS QB 3.40 (# 891.1 Unique )
&rst
ixpk= 891, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 415, 416,
&end
#
# 103 VAL HN 102 TYR QB 3.80 (# 895.1 Unique )
&rst
ixpk= 895, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1595,1596,
&end
#
# 108 ILE HN 108 ILE HB 3.10 (# 925.1 Unique )
&rst
ixpk= 925, nxpk= 0, iat=1681,1685, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 70 ARG HN 70 ARG QB 3.60 (# 928.1 Unique )
&rst
ixpk= 928, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1076,1077,
&end
#
# 108 ILE HN 108 ILE QG1 3.10 (# 936.1 Unique )
&rst
ixpk= 936, nxpk= 0, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1691,1692,
&end
#
# 103 VAL HN 103 VAL HB 3.40 (# 940.1 Unique )
&rst
ixpk= 940, nxpk= 0, iat=1612,1616, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 35 LEU HN 35 LEU QB 3.10 (# 946.1 Unique )
&rst
ixpk= 946, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 551, 552,
&end
#
# 35 LEU HN 0 AMB m:966 3.60 (# 966.1 Single Ambig [MD2 112 MD1 35] )
&rst
ixpk= 966, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1758,1759,1760, 556, 557, 558,
&end
#
# 35 LEU HN 35 LEU MD2 4.50 (# 970.1 Unique )
&rst
ixpk= 970, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 560, 561, 562,
&end
#
# 141 LEU HN 0 AMB m:973 5.40 (# 973.1 Single Ambig [MD2 141 MD1 141] )
&rst
ixpk= 973, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2=2215,2216,2217,2211,2212,2213,
&end
#
# 91 SER HN 91 SER HG 2.80 (# 988.1 Unique )
&rst
ixpk= 988, nxpk= 0, iat=1426,1433, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 ARG HN 5 ARG HA 3.60 (# 997.1 Unique )
&rst
ixpk= 997, nxpk= 0, iat= 65, 67, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 91 SER HN 0 AMB m:1003 3.40 (# 1003.1 Single Ambig [HA 91 HA 90] )
&rst
ixpk= 1003, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1428,1409,
&end
#
# 19 GLU HN 16 LEU HA 3.80 (# 1018.1 Unique )
&rst
ixpk= 1018, nxpk= 0, iat= 302, 258, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 102 TYR HN 101 SER HA 4.10 (# 1021.1 Unique )
&rst
ixpk= 1021, nxpk= 0, iat=1591,1582, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 51 GLN HN 0 AMB m:1024 3.10 (# 1024.1 Single Ambig [HA 51 HA 48] )
&rst
ixpk= 1024, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 787, 736,
&end
#
# 5 ARG HN 4 GLY QA 3.40 (# 1028.1 Unique )
&rst
ixpk= 1028, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 60, 61,
&end
#
# 46 ALA HN 0 AMB m:1032 3.60 (# 1032.1 Single Ambig [HA 46 HA 106] )
&rst
ixpk= 1032, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 716,1651,
&end
#
# 109 LEU HN 0 AMB m:1042 4.10 (# 1042.1 Single Ambig [HA 106 HA 105] )
&rst
ixpk= 1042, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1651,1637,
&end
#
# 121 ALA HN 121 ALA HA 3.10 (# 1046.1 Unique )
&rst
ixpk= 1046, nxpk= 0, iat=1877,1879, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 102 TYR HN 101 SER QB 4.90 (# 1049.1 Unique )
&rst
ixpk= 1049, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1584,1585,
&end
#
# 91 SER HN 91 SER QB 3.60 (# 1056.1 Unique )
&rst
ixpk= 1056, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1430,1431,
&end
#
# 138 VAL HN 138 VAL HA 3.80 (# 1060.1 Unique )
&rst
ixpk= 1060, nxpk= 0, iat=2150,2152, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 0 AMB m:1063a 0 AMB m:1063b 3.70 (# 1063.1 Double Ambig [HN 34 HN 121] [HA 34 HA 120] )
&rst
ixpk= 1063, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 528,1877,
igr2= 530,1869,
&end
#
# 34 ILE HN 33 HIS QB 4.10 (# 1067.1 Unique )
&rst
ixpk= 1067, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 515, 516,
&end
#
# 61 GLN HN 61 GLN QB 3.40 (# 1071.1 Unique )
&rst
ixpk= 1071, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 935, 936,
&end
#
# 91 SER HN 90 LEU QB 3.80 (# 1093.1 Unique )
&rst
ixpk= 1093, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1411,1412,
&end
#
# 72 GLN HN 72 GLN QB 3.60 (# 1097.1 Unique )
&rst
ixpk= 1097, nxpk= 0, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1107,1108,
&end
#
# 138 VAL HN 0 AMB m:1101 3.10 (# 1101.1 Single Ambig [HB 138 QB 137] )
&rst
ixpk= 1101, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=2154,2137,2138,
&end
#
# 19 GLU HN 0 AMB m:1109 3.50 (# 1109.1 Single Ambig [QB 18 QG 19]; orig = 2.50 )
&rst
ixpk= 1109, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 289, 290, 309, 310,
&end
#
# 109 LEU HN 109 LEU QB 3.10 (# 1115.1 Unique )
&rst
ixpk= 1115, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1704,1705,
&end
#
# 109 LEU HN 108 ILE HB 3.30 (# 1119.1 Unique )
&rst
ixpk= 1119, nxpk= 0, iat=1700,1685, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 34 ILE HN 34 ILE HB 3.10 (# 1122.1 Unique )
&rst
ixpk= 1122, nxpk= 0, iat= 528, 532, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 0 AMB m:1128a 0 AMB m:1128b 3.10 (# 1128.1 Double Ambig [HN 51 HN 140] [QB 50 QB 139] )
&rst
ixpk= 1128, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 785,2185,
igr2= 770, 771,2170,2171,
&end
#
# 142 LEU HN 0 AMB m:1137 2.60 (# 1137.1 Single Ambig [HG 142 QB 142] )
&rst
ixpk= 1137, nxpk= 0, iat=2221, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2=2228,2225,2226,
&end
#
# 46 ALA HN 45 ILE HB 3.60 (# 1145.1 Unique )
&rst
ixpk= 1145, nxpk= 0, iat= 714, 699, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 34 ILE HN 34 ILE QG1 3.10 (# 1148.1 Unique )
&rst
ixpk= 1148, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 538, 539,
&end
#
# 140 GLN HN 139 LEU QB 3.80 (# 1156.1 Unique )
&rst
ixpk= 1156, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=2170,2171,
&end
#
# 61 GLN HN 60 ILE QG1 5.50 (# 1184.1 Unique )
&rst
ixpk= 1184, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 922, 923,
&end
#
# 61 GLN HN 0 AMB m:1188 4.50 (# 1188.1 Single Ambig [MD 60 MG2 60] )
&rst
ixpk= 1188, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 925, 926, 927, 918, 919, 920,
&end
#
# 138 VAL HN 138 VAL MG1 5.60 (# 1192.1 Unique )
&rst
ixpk= 1192, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2156,2157,2158,
&end
#
# 46 ALA HN 0 AMB m:1195 4.50 (# 1195.1 Single Ambig [MG2 45 MD2 38] )
&rst
ixpk= 1195, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 701, 702, 703, 605, 606, 607,
&end
#
# 109 LEU HN 0 AMB m:1199 4.00 (# 1199.1 Single Ambig [MD1 109 MD2 38] )
&rst
ixpk= 1199, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1709,1710,1711, 605, 606, 607,
&end
#
# 34 ILE HN 0 AMB m:1203 3.10 (# 1203.1 Single Ambig [QG1 34 MG2 29] )
&rst
ixpk= 1203, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 538, 539, 462, 463, 464,
&end
#
# 127 LEU HN 0 AMB m:1211 3.60 (# 1211.1 Single Ambig [HA 127 HA 126] )
&rst
ixpk= 1211, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1976,1962,
&end
#
# 94 GLU HN 91 SER HA 4.80 (# 1215.1 Unique )
&rst
ixpk= 1215, nxpk= 0, iat=1466,1428, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 137 GLN HN 136 GLN HA 4.50 (# 1238.1 Unique )
&rst
ixpk= 1238, nxpk= 0, iat=2133,2118, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 ARG HN 96 ARG HA 3.60 (# 1247.1 Unique )
&rst
ixpk= 1247, nxpk= 0, iat=1491,1493, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 127 LEU HN 124 LEU HA 4.50 (# 1250.1 Unique )
&rst
ixpk= 1250, nxpk= 0, iat=1974,1929, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 LEU HN 0 AMB m:1253 4.70 (# 1253.1 Single Ambig [HA 11 HA 10] )
&rst
ixpk= 1253, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 174, 164,
&end
#
# 94 GLU HN 93 ASP QB 3.80 (# 1264.1 Unique )
&rst
ixpk= 1264, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1458,1459,
&end
#
# 94 GLU HN 94 GLU QG 3.10 (# 1268.1 Unique )
&rst
ixpk= 1268, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1473,1474,
&end
#
# 14 LEU HN 13 VAL HB 4.60 (# 1276.1 Unique )
&rst
ixpk= 1276, nxpk= 0, iat= 227, 215, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 94 GLU HN 94 GLU QB 3.30 (# 1279.1 Unique )
&rst
ixpk= 1279, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1470,1471,
&end
#
# 64 VAL HN 0 AMB m:1283 2.80 (# 1283.1 Single Ambig [HB 64 QG 63] )
&rst
ixpk= 1283, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 989, 977, 978,
&end
#
# 64 VAL HN 63 GLU QB 3.10 (# 1287.1 Unique )
&rst
ixpk= 1287, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 974, 975,
&end
#
# 9 ARG HN 9 ARG QB 3.70 (# 1291.1 Unique )
&rst
ixpk= 1291, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 142, 143,
&end
#
# 137 GLN HN 0 AMB m:1298 2.90 (# 1298.1 Single Ambig [QB 137 QB 136] )
&rst
ixpk= 1298, nxpk= 0, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=2137,2138,2120,2121,
&end
#
# 139 LEU HN 139 LEU QB 2.80 (# 1314.1 Unique )
&rst
ixpk= 1314, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2170,2171,
&end
#
# 96 ARG HN 96 ARG QB 3.30 (# 1326.1 Unique )
&rst
ixpk= 1326, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1495,1496,
&end
#
# 127 LEU HN 127 LEU QB 3.30 (# 1333.1 Unique )
&rst
ixpk= 1333, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1978,1979,
&end
#
# 14 LEU HN 0 AMB m:1337 2.50 (# 1337.1 Single Ambig [HG 14 QB 14] )
&rst
ixpk= 1337, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 234, 231, 232,
&end
#
# 139 LEU HN 0 AMB m:1358 4.80 (# 1358.1 Single Ambig [MG2 138 MD1 139] )
&rst
ixpk= 1358, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=2160,2161,2162,2175,2176,2177,
&end
#
# 64 VAL HN 0 AMB m:1362 4.40 (# 1362.1 Single Ambig [MG1 123 MG1 64] )
&rst
ixpk= 1362, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1917,1918,1919, 991, 992, 993,
&end
#
# 101 SER HN 100 HIS HA 3.60 (# 1387.1 Unique )
&rst
ixpk= 1387, nxpk= 0, iat=1580,1565, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 125 ASN HN 125 ASN HA 3.60 (# 1390.1 Unique )
&rst
ixpk= 1390, nxpk= 0, iat=1946,1948, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 62 LYS HN 0 AMB m:1393 3.50 (# 1393.1 Single Ambig [HA 62 HA 58] )
&rst
ixpk= 1393, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 950, 877,
&end
#
# 24 LEU HN 24 LEU HA 3.80 (# 1400.1 Unique )
&rst
ixpk= 1400, nxpk= 0, iat= 385, 387, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 48 LYS HN 48 LYS HA 3.80 (# 1410.1 Unique )
&rst
ixpk= 1410, nxpk= 0, iat= 734, 736, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 22 LEU HN 19 GLU HA 4.30 (# 1416.1 Unique )
&rst
ixpk= 1416, nxpk= 0, iat= 342, 304, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 98 LEU HN 97 LYS HA 4.50 (# 1419.1 Unique )
&rst
ixpk= 1419, nxpk= 0, iat=1537,1517, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 LEU HN 23 ARG QB 4.00 (# 1449.1 Unique )
&rst
ixpk= 1449, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 365, 366,
&end
#
# 113 ILE HN 112 LEU QB 3.90 (# 1453.1 Unique )
&rst
ixpk= 1453, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1749,1750,
&end
#
# 135 ARG HN 135 ARG QB 3.10 (# 1457.1 Unique )
&rst
ixpk= 1457, nxpk= 0, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=2096,2097,
&end
#
# 125 ASN HN 124 LEU QB 3.60 (# 1461.1 Unique )
&rst
ixpk= 1461, nxpk= 0, iat=1946, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1931,1932,
&end
#
# 48 LYS HN 48 LYS QB 3.30 (# 1465.1 Unique )
&rst
ixpk= 1465, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 738, 739,
&end
#
# 124 LEU HN 124 LEU QB 3.40 (# 1469.1 Unique )
&rst
ixpk= 1469, nxpk= 0, iat=1927, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1931,1932,
&end
#
# 22 LEU HN 22 LEU QB 3.30 (# 1479.1 Unique )
&rst
ixpk= 1479, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 346, 347,
&end
#
# 24 LEU HN 24 LEU QB 3.00 (# 1486.1 Unique )
&rst
ixpk= 1486, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 389, 390,
&end
#
# 60 ILE HN 60 ILE HB 2.80 (# 1490.1 Unique )
&rst
ixpk= 1490, nxpk= 0, iat= 912, 916, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 60 ILE HN 60 ILE QG1 3.60 (# 1493.1 Unique )
&rst
ixpk= 1493, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 922, 923,
&end
#
# 98 LEU HN 0 AMB m:1501 3.30 (# 1501.1 Single Ambig [QB 97 HG 98] )
&rst
ixpk= 1501, nxpk= 0, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1519,1520,1544,
&end
#
# 113 ILE HN 113 ILE QG1 2.90 (# 1506.1 Unique )
&rst
ixpk= 1506, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1774,1775,
&end
#
# 48 LYS HN 0 AMB m:1514 3.80 (# 1514.1 Single Ambig [MB 47 QB 48] )
&rst
ixpk= 1514, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 728, 729, 730, 738, 739,
&end
#
# 120 ALA HN 0 AMB m:1518 2.90 (# 1518.1 Single Ambig [MB 120 MG2 31] )
&rst
ixpk= 1518, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1871,1872,1873, 488, 489, 490,
&end
#
# 98 LEU HN 98 LEU QB 3.30 (# 1522.1 Unique )
&rst
ixpk= 1522, nxpk= 0, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1541,1542,
&end
#
# 75 SER HN 0 AMB m:1567 3.50 (# 1567.1 Single Ambig [HA 75 HA 74]; orig = 2.30 )
&rst
ixpk= 1567, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1154,1137,
&end
#
# 65 GLU HN 62 LYS HA 4.50 (# 1571.1 Unique )
&rst
ixpk= 1571, nxpk= 0, iat=1001, 950, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 SER HN 75 SER QB 3.60 (# 1583.1 Unique )
&rst
ixpk= 1583, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1156,1157,
&end
#
# 36 LEU HN 0 AMB m:1590 3.40 (# 1590.1 Single Ambig [HA 36 HA 35] )
&rst
ixpk= 1590, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 568, 549,
&end
#
# 53 LEU HN 0 AMB m:1594 4.30 (# 1594.1 Single Ambig [HA 50 HA 49] )
&rst
ixpk= 1594, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 768, 758,
&end
#
# 27 ASN HN 0 AMB m:1598 4.30 (# 1598.1 Single Ambig [QB 27 QB 26] )
&rst
ixpk= 1598, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 432, 433, 415, 416,
&end
#
# 65 GLU HN 0 AMB m:1608 2.90 (# 1608.1 Single Ambig [HB 64 QG 65] )
&rst
ixpk= 1608, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 989,1008,1009,
&end
#
# 75 SER HN 74 MET QB 4.70 (# 1616.1 Unique )
&rst
ixpk= 1616, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1139,1140,
&end
#
# 85 LYS HN 0 AMB m:1624 3.80 (# 1624.1 Single Ambig [MB 84 QB 85] )
&rst
ixpk= 1624, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1307,1308,1309,1317,1318,
&end
#
# 65 GLU HN 64 VAL MG2 5.80 (# 1640.1 Unique )
&rst
ixpk= 1640, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 995, 996, 997,
&end
#
# 65 GLU HN 0 AMB m:1646 4.10 (# 1646.1 Single Ambig [MG1 64 MD 68] )
&rst
ixpk= 1646, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 991, 992, 993,1059,1060,1061,
&end
#
# 36 LEU HN 0 AMB m:1650 4.50 (# 1650.1 Single Ambig [MD1 36 MD2 36] )
&rst
ixpk= 1650, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 575, 576, 577, 579, 580, 581,
&end
#
# 57 SER HN 56 GLY QA 3.10 (# 1659.1 Unique )
&rst
ixpk= 1659, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 859, 860,
&end
#
# 136 GLN HN 133 LYS HA 4.30 (# 1666.1 Unique )
&rst
ixpk= 1666, nxpk= 0, iat=2116,2062, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 18 GLN HN 0 AMB m:1672 4.50 (# 1672.1 Single Ambig [HA 17 HA 14] )
&rst
ixpk= 1672, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 277, 229,
&end
#
# 57 SER HN 0 AMB m:1676 2.80 (# 1676.1 Single Ambig [QB 57 HA 57] )
&rst
ixpk= 1676, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 868, 869, 866,
&end
#
# 11 GLN HN 0 AMB m:1681 3.30 (# 1681.1 Single Ambig [HA 11 HA 10] )
&rst
ixpk= 1681, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 174, 164,
&end
#
# 50 LEU HN 0 AMB m:1688 3.40 (# 1688.1 Single Ambig [HA 50 HA 47] )
&rst
ixpk= 1688, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 768, 726,
&end
#
# 11 GLN HN 11 GLN QB 2.80 (# 1703.1 Unique )
&rst
ixpk= 1703, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 176, 177,
&end
#
# 136 GLN HN 135 ARG QB 3.00 (# 1719.1 Unique )
&rst
ixpk= 1719, nxpk= 0, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2096,2097,
&end
#
# 50 LEU HN 50 LEU QB 3.10 (# 1723.1 Unique )
&rst
ixpk= 1723, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 770, 771,
&end
#
# 50 LEU HN 0 AMB m:1733 5.00 (# 1733.1 Single Ambig [MD2 50 MD1 50] )
&rst
ixpk= 1733, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 779, 780, 781, 775, 776, 777,
&end
#
# 28 ASN HN 28 ASN HA 3.60 (# 1737.1 Unique )
&rst
ixpk= 1737, nxpk= 0, iat= 442, 444, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 144 SER HN 144 SER HA 3.60 (# 1740.1 Unique )
&rst
ixpk= 1740, nxpk= 0, iat=2247,2249, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 83 ARG HN 83 ARG HA 4.10 (# 1743.1 Unique )
&rst
ixpk= 1743, nxpk= 0, iat=1279,1281, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 144 SER HN 143 GLY QA 3.80 (# 1746.1 Unique )
&rst
ixpk= 1746, nxpk= 0, iat=2247, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=2242,2243,
&end
#
# 110 LEU HN 0 AMB m:1756 3.60 (# 1756.1 Single Ambig [HA 110 HA 109] )
&rst
ixpk= 1756, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1721,1702,
&end
#
# 28 ASN HN 28 ASN QB 4.00 (# 1760.1 Unique )
&rst
ixpk= 1760, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 446, 447,
&end
#
# 83 ARG HN 83 ARG QB 3.30 (# 1764.1 Unique )
&rst
ixpk= 1764, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1283,1284,
&end
#
# 110 LEU HN 0 AMB m:1768 2.80 (# 1768.1 Single Ambig [HG 110 QB 109] )
&rst
ixpk= 1768, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1726,1704,1705,
&end
#
# 132 ASN HN 132 ASN HA 3.40 (# 1779.1 Unique )
&rst
ixpk= 1779, nxpk= 0, iat=2046,2048, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 132 ASN HN 130 SER QB 4.30 (# 1782.1 Unique )
&rst
ixpk= 1782, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=2020,2021,
&end
#
# 77 THR HN 0 AMB m:1786 2.90 (# 1786.1 Single Ambig [HA 77 HA 76] )
&rst
ixpk= 1786, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1182,1165,
&end
#
# 132 ASN HN 131 LEU HA 4.10 (# 1790.1 Unique )
&rst
ixpk= 1790, nxpk= 0, iat=2046,2029, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 77 THR HN 77 THR HB 4.50 (# 1793.1 Unique; orig = 3.40 )
&rst
ixpk= 1793, nxpk= 0, iat=1180,1184, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 132 ASN HN 131 LEU QB 3.40 (# 1804.1 Unique )
&rst
ixpk= 1804, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=2031,2032,
&end
#
# 7 THR HN 6 PHE HA 2.80 (# 1811.1 Unique )
&rst
ixpk= 1811, nxpk= 0, iat= 109, 91, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 81 THR HN 81 THR HA 4.00 (# 1820.1 Unique )
&rst
ixpk= 1820, nxpk= 0, iat=1251,1253, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 7 THR HN 6 PHE QB 4.30 (# 1823.1 Unique )
&rst
ixpk= 1823, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 93, 94,
&end
#
# 81 THR HN 80 TYR QB 4.50 (# 1827.1 Unique )
&rst
ixpk= 1827, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1234,1235,
&end
#
# 68 ILE HN 0 AMB m:1843 3.60 (# 1843.1 Single Ambig [HA 68 HA 67] )
&rst
ixpk= 1843, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1048,1029,
&end
#
# 66 SER HN 63 GLU HA 4.30 (# 1847.1 Unique )
&rst
ixpk= 1847, nxpk= 0, iat=1016, 972, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 39 VAL HN 0 AMB m:1863 4.30 (# 1863.1 Single Ambig [HA 36 HA 35] )
&rst
ixpk= 1863, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 568, 549,
&end
#
# 28 ASN QD2 28 ASN QB 3.60 (# 1870.1 Unique )
&rst
ixpk= 1870, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 451, 452,
igr2= 446, 447,
&end
#
# 28 ASN QD2 28 ASN QB 5.20 (# 1874.1 Unique )
&rst
ixpk= 1874, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 451, 452,
igr2= 446, 447,
&end
#
# 39 VAL HN 38 LEU QB 3.80 (# 1888.1 Unique )
&rst
ixpk= 1888, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 596, 597,
&end
#
# 132 ASN QD2 132 ASN QB 5.80 (# 1916.1 Unique )
&rst
ixpk= 1916, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1=2055,2056,
igr2=2050,2051,
&end
#
# 125 ASN QD2 125 ASN QB 4.10 (# 1926.1 Unique )
&rst
ixpk= 1926, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1955,1956,
igr2=1950,1951,
&end
#
# 137 GLN QE2 137 GLN QB 4.70 (# 1951.1 Unique )
&rst
ixpk= 1951, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=2145,2146,
igr2=2137,2138,
&end
#
# 137 GLN QE2 137 GLN QB 3.30 (# 1960.1 Unique )
&rst
ixpk= 1960, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=2145,2146,
igr2=2137,2138,
&end
#
# 27 ASN QD2 27 ASN QB 3.80 (# 1965.1 Unique )
&rst
ixpk= 1965, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 437, 438,
igr2= 432, 433,
&end
#
# 69 GLY HN 68 ILE HA 4.50 (# 1990.1 Unique; orig = 3.30 )
&rst
ixpk= 1990, nxpk= 0, iat=1065,1048, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 GLY HN 69 GLY QA 3.10 (# 1993.1 Unique )
&rst
ixpk= 1993, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1067,1068,
&end
#
# 71 GLY HN 71 GLY QA 3.00 (# 1997.1 Unique )
&rst
ixpk= 1997, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1098,1099,
&end
#
# 140 GLN QE2 140 GLN QB 3.10 (# 2001.1 Unique )
&rst
ixpk= 2001, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=2197,2198,
igr2=2189,2190,
&end
#
# 69 GLY HN 68 ILE HB 4.50 (# 2005.1 Unique; orig = 4.00 )
&rst
ixpk= 2005, nxpk= 0, iat=1065,1050, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 GLN QE2 18 GLN QB 4.60 (# 2008.1 Unique )
&rst
ixpk= 2008, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 297, 298,
igr2= 289, 290,
&end
#
# 71 GLY HN 70 ARG QB 4.20 (# 2012.1 Unique )
&rst
ixpk= 2012, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1076,1077,
&end
#
# 18 GLN QE2 22 LEU MD2 3.90 (# 2019.1 Unique )
&rst
ixpk= 2019, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 297, 298,
igr2= 355, 356, 357,
&end
#
# 4 GLY HN 3 PHE HA 3.60 (# 2033.1 Unique )
&rst
ixpk= 2033, nxpk= 0, iat= 58, 40, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 111 GLY HN 111 GLY QA 3.00 (# 2036.1 Unique )
&rst
ixpk= 2036, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1740,1741,
&end
#
# 4 GLY HN 4 GLY QA 2.60 (# 2040.1 Unique )
&rst
ixpk= 2040, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 60, 61,
&end
#
# 56 GLY HN 55 LEU HA 2.80 (# 2048.1 Unique )
&rst
ixpk= 2048, nxpk= 0, iat= 857, 840, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 GLY HN 24 LEU HA 4.10 (# 2054.1 Unique )
&rst
ixpk= 2054, nxpk= 0, iat= 404, 387, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 37 GLY HN 37 GLY QA 3.00 (# 2057.1 Unique )
&rst
ixpk= 2057, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 587, 588,
&end
#
# 25 GLY HN 25 GLY QA 3.00 (# 2062.1 Unique )
&rst
ixpk= 2062, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 406, 407,
&end
#
# 56 GLY HN 56 GLY QA 3.30 (# 2066.1 Unique )
&rst
ixpk= 2066, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 859, 860,
&end
#
# 37 GLY HN 36 LEU QB 3.40 (# 2070.1 Unique )
&rst
ixpk= 2070, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 570, 571,
&end
#
# 54 GLY HN 53 LEU HA 4.10 (# 2078.1 Unique )
&rst
ixpk= 2078, nxpk= 0, iat= 831, 814, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 54 GLY HN 54 GLY QA 3.10 (# 2087.1 Unique )
&rst
ixpk= 2087, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 833, 834,
&end
#
# 99 GLY HN 99 GLY QA 3.10 (# 2091.1 Unique )
&rst
ixpk= 2091, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1558,1559,
&end
#
# 128 GLY HN 128 GLY QA 3.10 (# 2095.1 Unique )
&rst
ixpk= 2095, nxpk= 0, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1995,1996,
&end
#
# 135 ARG HE 135 ARG QB 4.50 (# 2099.1 Unique; orig = 3.90 )
&rst
ixpk= 2099, nxpk= 0, iat=2105, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2096,2097,
&end
#
# 122 ARG HE 122 ARG QB 4.00 (# 2103.1 Unique )
&rst
ixpk= 2103, nxpk= 0, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1891,1892,
&end
#
# 143 GLY HN 143 GLY QA 2.60 (# 2107.1 Unique )
&rst
ixpk= 2107, nxpk= 0, iat=2240, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2=2242,2243,
&end
#
# 143 GLY HN 0 AMB m:2115 3.90 (# 2115.1 Single Ambig [HG 142 QB 142] )
&rst
ixpk= 2115, nxpk= 0, iat=2240, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2228,2225,2226,
&end
#
# 43 GLU HN 44 GLY HN 3.10 (# 2119.1 Unique )
&rst
ixpk= 2119, nxpk= 0, iat= 673, 688, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 15 ALA HN 16 LEU HN 3.30 (# 2122.1 Unique )
&rst
ixpk= 2122, nxpk= 0, iat= 246, 256, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 15 ALA HN 14 LEU HN 3.00 (# 2125.1 Unique )
&rst
ixpk= 2125, nxpk= 0, iat= 246, 227, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 49 ALA HN 48 LYS HN 3.10 (# 2128.1 Unique )
&rst
ixpk= 2128, nxpk= 0, iat= 756, 734, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 49 ALA HN 50 LEU HN 3.30 (# 2131.1 Unique )
&rst
ixpk= 2131, nxpk= 0, iat= 756, 766, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 52 ALA HN 0 AMB m:2137 4.70 (# 2137.1 Single Ambig [HN 54 HN 50] )
&rst
ixpk= 2137, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 831, 766,
&end
#
# 52 ALA HN 53 LEU HN 3.30 (# 2141.1 Unique )
&rst
ixpk= 2141, nxpk= 0, iat= 802, 812, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 116 GLY HN 0 AMB m:2144 3.40 (# 2144.1 Single Ambig [HN 115 HN 117] )
&rst
ixpk= 2144, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1807,1829,
&end
#
# 17 ALA HN 16 LEU HN 3.30 (# 2148.1 Unique )
&rst
ixpk= 2148, nxpk= 0, iat= 275, 256, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 131 LEU HN 132 ASN HN 3.60 (# 2151.1 Unique )
&rst
ixpk= 2151, nxpk= 0, iat=2027,2046, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 84 ALA HN 83 ARG HN 3.40 (# 2157.1 Unique )
&rst
ixpk= 2157, nxpk= 0, iat=1303,1279, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 17 ALA HN 18 GLN HN 3.40 (# 2163.1 Unique )
&rst
ixpk= 2163, nxpk= 0, iat= 275, 285, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 21 ALA HN 20 GLU HN 3.40 (# 2166.1 Unique )
&rst
ixpk= 2166, nxpk= 0, iat= 332, 317, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 12 LYS HN 11 GLN HN 3.50 (# 2172.1 Unique )
&rst
ixpk= 2172, nxpk= 0, iat= 189, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 GLU HN 90 LEU HN 3.30 (# 2181.1 Unique )
&rst
ixpk= 2181, nxpk= 0, iat=1392,1407, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 8 GLU HN 9 ARG HN 3.50 (# 2187.1 Unique )
&rst
ixpk= 2187, nxpk= 0, iat= 123, 138, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 76 GLN HN 75 SER HN 6.00 (# 2193.1 Unique; orig = 4.30 )
&rst
ixpk= 2193, nxpk= 0, iat=1163,1152, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 GLU HN 40 ARG HN 3.40 (# 2199.1 Unique )
&rst
ixpk= 2199, nxpk= 0, iat= 651, 627, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 88 ILE HN 0 AMB m:2202 3.00 (# 2202.1 Single Ambig [HN 89 HN 87] )
&rst
ixpk= 2202, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1392,1357,
&end
#
# 126 ASN HN 127 LEU HN 3.40 (# 2206.1 Unique )
&rst
ixpk= 2206, nxpk= 0, iat=1960,1974, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 23 ARG HN 24 LEU HN 3.50 (# 2212.1 Unique )
&rst
ixpk= 2212, nxpk= 0, iat= 361, 385, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 LEU HN 39 VAL HN 3.10 (# 2215.1 Unique )
&rst
ixpk= 2215, nxpk= 0, iat= 592, 611, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 89 GLU HN 88 ILE HN 3.30 (# 2218.1 Unique )
&rst
ixpk= 2218, nxpk= 0, iat=1392,1373, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 33 HIS HN 34 ILE HN 2.80 (# 2221.1 Unique )
&rst
ixpk= 2221, nxpk= 0, iat= 511, 528, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 117 GLU HN 116 GLY HN 4.30 (# 2227.1 Unique )
&rst
ixpk= 2227, nxpk= 0, iat=1829,1822, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 90 LEU HN 91 SER HN 3.40 (# 2230.1 Unique )
&rst
ixpk= 2230, nxpk= 0, iat=1407,1426, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 58 GLU HN 57 SER HN 3.40 (# 2233.1 Unique )
&rst
ixpk= 2233, nxpk= 0, iat= 875, 864, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 112 LEU HN 111 GLY HN 3.40 (# 2236.1 Unique )
&rst
ixpk= 2236, nxpk= 0, iat=1745,1738, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 134 ALA HN 135 ARG HN 3.40 (# 2239.1 Unique )
&rst
ixpk= 2239, nxpk= 0, iat=2082,2092, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 115 GLU HN 114 ARG HN 3.60 (# 2242.1 Unique )
&rst
ixpk= 2242, nxpk= 0, iat=1807,1783, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 93 ASP HN 94 GLU HN 3.00 (# 2245.1 Unique )
&rst
ixpk= 2245, nxpk= 0, iat=1454,1466, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 58 GLU HN 59 LYS HN 3.10 (# 2248.1 Unique )
&rst
ixpk= 2248, nxpk= 0, iat= 875, 890, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 134 ALA HN 133 LYS HN 3.10 (# 2251.1 Unique )
&rst
ixpk= 2251, nxpk= 0, iat=2082,2060, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 100 HIS HN 99 GLY HN 3.10 (# 2254.1 Unique )
&rst
ixpk= 2254, nxpk= 0, iat=1563,1556, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 40 ARG HN 39 VAL HN 3.10 (# 2257.1 Unique )
&rst
ixpk= 2257, nxpk= 0, iat= 627, 611, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 100 HIS HN 98 LEU HN 5.00 (# 2263.1 Unique )
&rst
ixpk= 2263, nxpk= 0, iat=1563,1537, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 ASP HN 92 MET HN 3.30 (# 2266.1 Unique )
&rst
ixpk= 2266, nxpk= 0, iat=1454,1437, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 107 HIS HN 108 ILE HN 2.80 (# 2269.1 Unique )
&rst
ixpk= 2269, nxpk= 0, iat=1664,1681, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 92 MET HN 91 SER HN 3.40 (# 2275.1 Unique )
&rst
ixpk= 2275, nxpk= 0, iat=1437,1426, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 86 LYS HN 85 LYS HN 3.60 (# 2278.1 Unique )
&rst
ixpk= 2278, nxpk= 0, iat=1335,1313, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 63 GLU HN 64 VAL HN 3.10 (# 2281.1 Unique )
&rst
ixpk= 2281, nxpk= 0, iat= 970, 985, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 123 VAL HN 124 LEU HN 3.10 (# 2287.1 Unique )
&rst
ixpk= 2287, nxpk= 0, iat=1911,1927, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 86 LYS HN 87 VAL HN 3.40 (# 2290.1 Unique )
&rst
ixpk= 2290, nxpk= 0, iat=1335,1357, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 63 GLU HN 62 LYS HN 3.30 (# 2293.1 Unique )
&rst
ixpk= 2293, nxpk= 0, iat= 970, 948, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 20 GLU HN 19 GLU HN 3.10 (# 2296.1 Unique )
&rst
ixpk= 2296, nxpk= 0, iat= 317, 302, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 123 VAL HN 122 ARG HN 3.10 (# 2299.1 Unique )
&rst
ixpk= 2299, nxpk= 0, iat=1911,1887, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 67 LEU HN 68 ILE HN 2.80 (# 2302.1 Unique )
&rst
ixpk= 2302, nxpk= 0, iat=1027,1046, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 114 ARG HN 113 ILE HN 3.30 (# 2308.1 Unique )
&rst
ixpk= 2308, nxpk= 0, iat=1783,1764, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 141 LEU HN 140 GLN HN 3.10 (# 2314.1 Unique )
&rst
ixpk= 2314, nxpk= 0, iat=2202,2185, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 141 LEU HN 142 LEU HN 3.10 (# 2317.1 Unique )
&rst
ixpk= 2317, nxpk= 0, iat=2202,2221, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 47 ALA HN 48 LYS HN 3.30 (# 2320.1 Unique )
&rst
ixpk= 2320, nxpk= 0, iat= 724, 734, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 47 ALA HN 46 ALA HN 3.30 (# 2323.1 Unique )
&rst
ixpk= 2323, nxpk= 0, iat= 724, 714, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 26 HIS HN 25 GLY HN 3.10 (# 2326.1 Unique )
&rst
ixpk= 2326, nxpk= 0, iat= 411, 404, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 87 VAL HN 0 AMB m:2329 3.30 (# 2329.1 Single Ambig [HN 86 HN 88] )
&rst
ixpk= 2329, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1335,1373,
&end
#
# 108 ILE HN 109 LEU HN 3.30 (# 2333.1 Unique )
&rst
ixpk= 2333, nxpk= 0, iat=1681,1700, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 35 LEU HN 34 ILE HN 3.30 (# 2336.1 Unique )
&rst
ixpk= 2336, nxpk= 0, iat= 547, 528, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 102 TYR HN 101 SER HN 3.80 (# 2339.1 Unique )
&rst
ixpk= 2339, nxpk= 0, iat=1591,1580, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 140 GLN HN 139 LEU HN 3.00 (# 2342.1 Unique )
&rst
ixpk= 2342, nxpk= 0, iat=2185,2166, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 61 GLN HN 62 LYS HN 3.30 (# 2348.1 Unique )
&rst
ixpk= 2348, nxpk= 0, iat= 931, 948, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 51 GLN HN 50 LEU HN 3.10 (# 2354.1 Unique )
&rst
ixpk= 2354, nxpk= 0, iat= 785, 766, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 46 ALA HN 48 LYS HN 4.30 (# 2357.1 Unique )
&rst
ixpk= 2357, nxpk= 0, iat= 714, 734, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 46 ALA HN 45 ILE HN 3.60 (# 2360.1 Unique )
&rst
ixpk= 2360, nxpk= 0, iat= 714, 695, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 0 AMB m:2363a 0 AMB m:2363b 3.00 (# 2363.1 Double Ambig [HN 34 HN 121] [HN 35 HN 120] )
&rst
ixpk= 2363, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 528,1877,
igr2= 547,1867,
&end
#
# 142 LEU HN 0 AMB m:2370 2.80 (# 2370.1 Single Ambig [HN 141 HN 143] )
&rst
ixpk= 2370, nxpk= 0, iat=2221, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2202,2240,
&end
#
# 121 ALA HN 122 ARG HN 3.00 (# 2374.1 Unique )
&rst
ixpk= 2374, nxpk= 0, iat=1877,1887, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 19 GLU HN 18 GLN HN 3.10 (# 2377.1 Unique )
&rst
ixpk= 2377, nxpk= 0, iat= 302, 285, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 109 LEU HN 0 AMB m:2380 3.00 (# 2380.1 Single Ambig [HN 108 HN 110] )
&rst
ixpk= 2380, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1681,1719,
&end
#
# 102 TYR HN 102 TYR HD 3.80 (# 2384.1 Unique )
&rst
ixpk= 2384, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1599,1608,
&end
#
# 137 GLN HN 138 VAL HN 3.10 (# 2387.1 Unique )
&rst
ixpk= 2387, nxpk= 0, iat=2133,2150, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 96 ARG HN 97 LYS HN 3.30 (# 2390.1 Unique )
&rst
ixpk= 2390, nxpk= 0, iat=1491,1515, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 9 ARG HN 10 ALA HN 3.30 (# 2393.1 Unique )
&rst
ixpk= 2393, nxpk= 0, iat= 138, 162, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 94 GLU HN 0 AMB m:2396 2.80 (# 2396.1 Single Ambig [HN 93 HN 95] )
&rst
ixpk= 2396, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1454,1481,
&end
#
# 127 LEU HN 128 GLY HN 3.10 (# 2403.1 Unique )
&rst
ixpk= 2403, nxpk= 0, iat=1974,1993, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 124 LEU HN 125 ASN HN 3.30 (# 2409.1 Unique )
&rst
ixpk= 2409, nxpk= 0, iat=1927,1946, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 98 LEU HN 97 LYS HN 3.40 (# 2412.1 Unique )
&rst
ixpk= 2412, nxpk= 0, iat=1537,1515, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 120 ALA HN 119 VAL HN 3.60 (# 2415.1 Unique )
&rst
ixpk= 2415, nxpk= 0, iat=1867,1851, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 120 ALA HN 121 ALA HN 3.60 (# 2418.1 Unique )
&rst
ixpk= 2418, nxpk= 0, iat=1867,1877, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 36 LEU HN 37 GLY HN 3.50 (# 2421.1 Unique )
&rst
ixpk= 2421, nxpk= 0, iat= 566, 585, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 LEU HN 0 AMB m:2430 4.50 (# 2430.1 Single Ambig [HN 55 HN 51] )
&rst
ixpk= 2430, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 838, 785,
&end
#
# 27 ASN HN 28 ASN HN 3.40 (# 2437.1 Unique )
&rst
ixpk= 2437, nxpk= 0, iat= 428, 442, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 136 GLN HN 135 ARG HN 3.30 (# 2440.1 Unique )
&rst
ixpk= 2440, nxpk= 0, iat=2116,2092, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 11 GLN HN 10 ALA HN 2.60 (# 2443.1 Unique )
&rst
ixpk= 2443, nxpk= 0, iat= 172, 162, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 110 LEU HN 109 LEU HN 4.00 (# 2452.1 Unique )
&rst
ixpk= 2452, nxpk= 0, iat=1719,1700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 132 ASN HN 133 LYS HN 3.30 (# 2455.1 Unique )
&rst
ixpk= 2455, nxpk= 0, iat=2046,2060, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 66 SER HN 65 GLU HN 3.10 (# 2458.1 Unique )
&rst
ixpk= 2458, nxpk= 0, iat=1016,1001, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 66 SER HN 67 LEU HN 3.10 (# 2461.1 Unique )
&rst
ixpk= 2461, nxpk= 0, iat=1016,1027, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 28 ASN QD2 28 ASN QD2 2.20 (# 2464.1 Unique )
#This appears to be self-referential: ignoring
#
# 132 ASN QD2 132 ASN QD2 2.20 (# 2467.1 Unique )
#This appears to be self-referential: ignoring
#
# 125 ASN QD2 125 ASN QD2 2.20 (# 2470.1 Unique )
#This appears to be self-referential: ignoring
#
# 0 AMB m:2473a 0 AMB m:2473b 2.20 (# 2473.1 Double Ambig [QE2 76 QE2 72] [QE2 76 QE2 72] )
#This appears to be self-referential: ignoring
#
# 137 GLN QE2 137 GLN QE2 2.20 (# 2477.1 Unique )
#This appears to be self-referential: ignoring
#
# 76 GLN QE2 76 GLN QE2 2.20 (# 2480.1 Unique )
#This appears to be self-referential: ignoring
#
# 72 GLN QE2 72 GLN QE2 2.20 (# 2483.1 Unique )
#This appears to be self-referential: ignoring
#
# 61 GLN QE2 61 GLN QE2 2.20 (# 2486.1 Unique )
#This appears to be self-referential: ignoring
#
# 136 GLN QE2 136 GLN QE2 2.20 (# 2489.1 Unique )
#This appears to be self-referential: ignoring
#
# 11 GLN QE2 11 GLN QE2 3.50 (# 2492.1 Unique; orig = 2.20 )
#This appears to be self-referential: ignoring
#
# 27 ASN QD2 27 ASN QD2 2.20 (# 2495.1 Unique )
#This appears to be self-referential: ignoring
#
# 69 GLY HN 68 ILE HN 3.10 (# 2498.1 Unique )
&rst
ixpk= 2498, nxpk= 0, iat=1065,1046, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 18 GLN QE2 18 GLN QE2 2.20 (# 2501.1 Unique )
#This appears to be self-referential: ignoring
#
# 140 GLN QE2 140 GLN QE2 2.20 (# 2504.1 Unique )
#This appears to be self-referential: ignoring
#
# 51 GLN QE2 51 GLN QE2 2.20 (# 2507.1 Unique )
#This appears to be self-referential: ignoring
#
# 126 ASN QD2 126 ASN QD2 2.20 (# 2510.1 Unique )
#This appears to be self-referential: ignoring
#
# 111 GLY HN 110 LEU HN 3.50 (# 2513.1 Unique )
&rst
ixpk= 2513, nxpk= 0, iat=1738,1719, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 GLY HN 24 LEU HN 3.10 (# 2516.1 Unique )
&rst
ixpk= 2516, nxpk= 0, iat= 404, 385, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 54 GLY HN 55 LEU HN 2.90 (# 2519.1 Unique )
&rst
ixpk= 2519, nxpk= 0, iat= 831, 838, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 54 GLY HN 53 LEU HN 3.10 (# 2522.1 Unique )
&rst
ixpk= 2522, nxpk= 0, iat= 831, 812, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 99 GLY HN 98 LEU HN 3.10 (# 2525.1 Unique )
&rst
ixpk= 2525, nxpk= 0, iat=1556,1537, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 143 GLY HN 144 SER HN 2.90 (# 2528.1 Unique )
&rst
ixpk= 2528, nxpk= 0, iat=2240,2247, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 99 GLY HN 98 LEU QB 5.00 (# 2531.1 Unique )
&rst
ixpk= 2531, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1541,1542,
&end
#
# 56 GLY HN 55 LEU HG 6.00 (# 2556.1 Unique )
&rst
ixpk= 2556, nxpk= 0, iat= 857, 845, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 GLY HN 60 ILE QG1 6.00 (# 2559.1 Unique )
&rst
ixpk= 2559, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 922, 923,
&end
#
# 56 GLY HN 58 GLU HN 6.00 (# 2563.1 Unique )
&rst
ixpk= 2563, nxpk= 0, iat= 857, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 GLY HN 0 AMB m:2569 6.00 (# 2569.1 Single Ambig [MD2 38 MG2 13] )
&rst
ixpk= 2569, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 605, 606, 607, 221, 222, 223,
&end
#
# 42 GLY HN 0 AMB m:2583 4.70 (# 2583.1 Single Ambig [HN 43 HN 40] )
&rst
ixpk= 2583, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 673, 627,
&end
#
# 4 GLY HN 103 VAL MG2 6.00 (# 2587.1 Unique )
&rst
ixpk= 2587, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1622,1623,1624,
&end
#
# 4 GLY HN 2 MET QB 6.00 (# 2590.1 Unique )
&rst
ixpk= 2590, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 25, 26,
&end
#
# 4 GLY HN 92 MET ME 6.00 (# 2594.1 Unique )
&rst
ixpk= 2594, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1448,1449,1450,
&end
#
# 4 GLY HN 2 MET QB 6.00 (# 2597.1 Unique )
&rst
ixpk= 2597, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 25, 26,
&end
#
# 4 GLY HN 0 AMB m:2605 6.00 (# 2605.1 Single Ambig [HA 5 HA 2] )
&rst
ixpk= 2605, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 67, 23,
&end
#
# 25 GLY HN 26 HIS QB 6.00 (# 2619.1 Unique )
&rst
ixpk= 2619, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 415, 416,
&end
#
# 25 GLY HN 21 ALA HA 6.00 (# 2632.1 Unique )
&rst
ixpk= 2632, nxpk= 0, iat= 404, 334, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 GLY HN 0 AMB m:2635 6.00 (# 2635.1 Single Ambig [MD2 24 MD1 24] )
&rst
ixpk= 2635, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 398, 399, 400, 394, 395, 396,
&end
#
# 37 GLY HN 38 LEU QB 6.00 (# 2645.1 Unique )
&rst
ixpk= 2645, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 596, 597,
&end
#
# 37 GLY HN 0 AMB m:2649 6.00 (# 2649.1 Single Ambig [QB 16 QB 20] )
&rst
ixpk= 2649, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 260, 261, 321, 322,
&end
#
# 37 GLY HN 20 GLU QB 6.00 (# 2654.1 Unique )
&rst
ixpk= 2654, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 321, 322,
&end
#
# 37 GLY HN 33 HIS HA 6.00 (# 2662.1 Unique )
&rst
ixpk= 2662, nxpk= 0, iat= 585, 513, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 GLY HN 0 AMB m:2668 4.80 (# 2668.1 Single Ambig [HA 36 HA 35] )
&rst
ixpk= 2668, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 568, 549,
&end
#
# 37 GLY HN 33 HIS QB 6.00 (# 2672.1 Unique )
&rst
ixpk= 2672, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 515, 516,
&end
#
# 37 GLY HN 39 VAL HN 6.00 (# 2675.1 Unique )
&rst
ixpk= 2675, nxpk= 0, iat= 585, 611, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 GLY HN 0 AMB m:2681 6.00 (# 2681.1 Single Ambig [QB 9 QB 43] )
&rst
ixpk= 2681, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 142, 143, 677, 678,
&end
#
# 54 GLY HN 50 LEU QB 6.00 (# 2705.1 Unique )
&rst
ixpk= 2705, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 770, 771,
&end
#
# 54 GLY HN 53 LEU QB 4.70 (# 2716.1 Unique )
&rst
ixpk= 2716, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 816, 817,
&end
#
# 54 GLY HN 55 LEU HA 6.00 (# 2720.1 Unique )
&rst
ixpk= 2720, nxpk= 0, iat= 831, 840, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 GLY HN 50 LEU HA 6.00 (# 2723.1 Unique )
&rst
ixpk= 2723, nxpk= 0, iat= 831, 768, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 69 GLY HN 67 LEU QB 6.00 (# 2733.1 Unique )
&rst
ixpk= 2733, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1031,1032,
&end
#
# 69 GLY HN 66 SER HN 6.00 (# 2745.1 Unique )
&rst
ixpk= 2745, nxpk= 0, iat=1065,1016, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 69 GLY HN 67 LEU HN 5.60 (# 2748.1 Unique )
&rst
ixpk= 2748, nxpk= 0, iat=1065,1027, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 71 GLY HN 24 LEU QB 6.00 (# 2754.1 Unique )
&rst
ixpk= 2754, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 389, 390,
&end
#
# 71 GLY HN 70 ARG QB 4.30 (# 2757.1 Unique )
&rst
ixpk= 2757, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1076,1077,
&end
#
# 71 GLY HN 25 GLY QA 6.00 (# 2772.1 Unique )
&rst
ixpk= 2772, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 406, 407,
&end
#
# 111 GLY HN 87 VAL MG1 6.00 (# 2789.1 Unique )
&rst
ixpk= 2789, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1363,1364,1365,
&end
#
# 111 GLY HN 87 VAL MG2 6.00 (# 2792.1 Unique )
&rst
ixpk= 2792, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1367,1368,1369,
&end
#
# 111 GLY HN 109 LEU QB 6.00 (# 2795.1 Unique )
&rst
ixpk= 2795, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1704,1705,
&end
#
# 111 GLY HN 0 AMB m:2799 5.40 (# 2799.1 Single Ambig [QG 94 HG 110] )
&rst
ixpk= 2799, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1473,1474,1726,
&end
#
# 111 GLY HN 94 GLU QB 6.00 (# 2804.1 Unique )
&rst
ixpk= 2804, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1470,1471,
&end
#
# 111 GLY HN 91 SER HG 6.00 (# 2812.1 Unique )
&rst
ixpk= 2812, nxpk= 0, iat=1738,1433, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 111 GLY HN 91 SER QB 6.00 (# 2821.1 Unique )
&rst
ixpk= 2821, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1430,1431,
&end
#
# 111 GLY HN 110 LEU HA 4.50 (# 2825.1 Unique )
&rst
ixpk= 2825, nxpk= 0, iat=1738,1721, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 GLY HN 109 LEU HN 6.00 (# 2831.1 Unique )
&rst
ixpk= 2831, nxpk= 0, iat=1738,1700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 111 GLY HN 91 SER HN 6.00 (# 2834.1 Unique )
&rst
ixpk= 2834, nxpk= 0, iat=1738,1426, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 116 GLY HN 117 GLU QB 6.00 (# 2849.1 Unique )
&rst
ixpk= 2849, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1833,1834,
&end
#
# 116 GLY HN 115 GLU QG 6.00 (# 2853.1 Unique )
&rst
ixpk= 2853, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1814,1815,
&end
#
# 116 GLY HN 115 GLU QB 4.80 (# 2856.1 Unique )
&rst
ixpk= 2856, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1811,1812,
&end
#
# 116 GLY HN 115 GLU HA 4.60 (# 2860.1 Unique )
&rst
ixpk= 2860, nxpk= 0, iat=1822,1809, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 116 GLY HN 114 ARG HA 5.80 (# 2863.1 Unique )
&rst
ixpk= 2863, nxpk= 0, iat=1822,1785, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 116 GLY HN 114 ARG HN 6.00 (# 2869.1 Unique )
&rst
ixpk= 2869, nxpk= 0, iat=1822,1783, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 128 GLY HN 125 ASN QB 6.00 (# 2876.1 Unique )
&rst
ixpk= 2876, nxpk= 0, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1950,1951,
&end
#
# 128 GLY HN 0 AMB m:2879 3.90 (# 2879.1 Single Ambig [HA 127 HA 126] )
&rst
ixpk= 2879, nxpk= 0, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1976,1962,
&end
#
# 143 GLY HN 0 AMB m:2886 3.60 (# 2886.1 Single Ambig [HA 141 HA 142] )
&rst
ixpk= 2886, nxpk= 0, iat=2240, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2204,2223,
&end
#
# 7 THR HN 0 AMB m:2890 6.00 (# 2890.1 Single Ambig [HB 103 MG2 105] )
&rst
ixpk= 2890, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1616,1641,1642,1643,
&end
#
# 7 THR HN 102 TYR QB 6.00 (# 2898.1 Unique )
&rst
ixpk= 2898, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1595,1596,
&end
#
# 7 THR HN 0 AMB m:2903 6.00 (# 2903.1 Single Ambig [HA 10 HA 11] )
&rst
ixpk= 2903, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 164, 174,
&end
#
# 7 THR HN 104 GLY QA 4.70 (# 2910.1 Unique )
&rst
ixpk= 2910, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1630,1631,
&end
#
# 7 THR HN 102 TYR HD 6.00 (# 2914.1 Unique )
&rst
ixpk= 2914, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1599,1608,
&end
#
# 7 THR HN 6 PHE HD 6.00 (# 2917.1 Unique )
&rst
ixpk= 2917, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 97, 105,
&end
#
# 7 THR HN 6 PHE HN 6.00 (# 2920.1 Unique )
&rst
ixpk= 2920, nxpk= 0, iat= 109, 89, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 7 THR HN 103 VAL HN 5.40 (# 2923.1 Unique )
&rst
ixpk= 2923, nxpk= 0, iat= 109,1612, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 7 THR HN 10 ALA HN 5.40 (# 2926.1 Unique )
&rst
ixpk= 2926, nxpk= 0, iat= 109, 162, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 31 THR HN 84 ALA MB 6.00 (# 2935.1 Unique )
&rst
ixpk= 2935, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1307,1308,1309,
&end
#
# 31 THR HN 31 THR HB 6.00 (# 2945.1 Unique )
&rst
ixpk= 2945, nxpk= 0, iat= 482, 486, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 81 THR HN 28 ASN QB 6.00 (# 2969.1 Unique )
&rst
ixpk= 2969, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 446, 447,
&end
#
# 81 THR HN 81 THR HG1 5.60 (# 2980.1 Unique )
&rst
ixpk= 2980, nxpk= 0, iat=1251,1261, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 81 THR HN 80 TYR HD 6.00 (# 2983.1 Unique )
&rst
ixpk= 2983, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1238,1247,
&end
#
# 81 THR HN 84 ALA HN 5.20 (# 2986.1 Unique )
&rst
ixpk= 2986, nxpk= 0, iat=1251,1303, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 81 THR HN 83 ARG HN 6.00 (# 2989.1 Unique )
&rst
ixpk= 2989, nxpk= 0, iat=1251,1279, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 81 THR HN 85 LYS HN 6.00 (# 2992.1 Unique )
&rst
ixpk= 2992, nxpk= 0, iat=1251,1313, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 81 THR HN 29 ILE HN 4.60 (# 2995.1 Unique )
&rst
ixpk= 2995, nxpk= 0, iat=1251, 456, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 105 THR HN 106 GLU HN 4.10 (# 2998.1 Unique )
&rst
ixpk= 2998, nxpk= 0, iat=1635,1649, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 105 THR HN 0 AMB m:3001 6.00 (# 3001.1 Single Ambig [MD 108 MD2 38] )
&rst
ixpk= 3001, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1694,1695,1696, 605, 606, 607,
&end
#
# 105 THR HN 104 GLY HN 6.00 (# 3005.1 Unique )
&rst
ixpk= 3005, nxpk= 0, iat=1635,1628, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 105 THR HN 105 THR HG1 4.80 (# 3027.1 Unique )
&rst
ixpk= 3027, nxpk= 0, iat=1635,1645, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 105 THR HN 46 ALA HN 6.00 (# 3030.1 Unique )
&rst
ixpk= 3030, nxpk= 0, iat=1635, 714, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 HIS HN 0 AMB m:3036 6.00 (# 3036.1 Single Ambig [MD2 24 MD1 24] )
&rst
ixpk= 3036, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 398, 399, 400, 394, 395, 396,
&end
#
# 26 HIS HN 24 LEU QB 5.20 (# 3040.1 Unique )
&rst
ixpk= 3040, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 389, 390,
&end
#
# 26 HIS HN 27 ASN HA 6.00 (# 3047.1 Unique )
&rst
ixpk= 3047, nxpk= 0, iat= 411, 430, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 HIS HN 24 LEU HN 6.00 (# 3053.1 Unique )
&rst
ixpk= 3053, nxpk= 0, iat= 411, 385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 HIS HN 22 LEU HN 5.80 (# 3056.1 Unique )
&rst
ixpk= 3056, nxpk= 0, iat= 411, 342, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 145 ASN HN 0 AMB m:3059 4.70 (# 3059.1 Single Ambig [MD1 142 MD1 141] )
&rst
ixpk= 3059, nxpk= 0, iat=2258, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=2230,2231,2232,2211,2212,2213,
&end
#
# 145 ASN HN 143 GLY QA 6.00 (# 3068.1 Unique )
&rst
ixpk= 3068, nxpk= 0, iat=2258, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2242,2243,
&end
#
# 144 SER HN 142 LEU HG 5.00 (# 3080.1 Unique )
&rst
ixpk= 3080, nxpk= 0, iat=2247,2228, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 128 GLY HN 126 ASN HN 6.00 (# 3086.1 Unique )
&rst
ixpk= 3086, nxpk= 0, iat=1993,1960, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 141 LEU HN 142 LEU QB 6.00 (# 3089.1 Unique )
&rst
ixpk= 3089, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2225,2226,
&end
#
# 141 LEU HN 137 GLN QE2 6.00 (# 3106.1 Unique )
&rst
ixpk= 3106, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2145,2146,
&end
#
# 141 LEU HN 137 GLN QE2 6.00 (# 3109.1 Unique )
&rst
ixpk= 3109, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2145,2146,
&end
#
# 141 LEU HN 0 AMB m:3112 5.80 (# 3112.1 Single Ambig [HN 139 HN 138] )
&rst
ixpk= 3112, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=2166,2150,
&end
#
# 139 LEU HN 49 ALA MB 6.00 (# 3116.1 Unique )
&rst
ixpk= 3116, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 760, 761, 762,
&end
#
# 139 LEU HN 135 ARG QB 6.00 (# 3119.1 Unique )
&rst
ixpk= 3119, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2096,2097,
&end
#
# 139 LEU HN 137 GLN QB 6.00 (# 3125.1 Unique )
&rst
ixpk= 3125, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2137,2138,
&end
#
# 139 LEU HN 138 VAL HA 4.90 (# 3130.1 Unique )
&rst
ixpk= 3130, nxpk= 0, iat=2166,2152, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 139 LEU HN 135 ARG HA 5.40 (# 3133.1 Unique )
&rst
ixpk= 3133, nxpk= 0, iat=2166,2094, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 139 LEU HN 140 GLN HA 6.00 (# 3136.1 Unique )
&rst
ixpk= 3136, nxpk= 0, iat=2166,2187, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 139 LEU HN 141 LEU HN 6.00 (# 3139.1 Unique )
&rst
ixpk= 3139, nxpk= 0, iat=2166,2202, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 139 LEU HN 0 AMB m:3142 5.10 (# 3142.1 Single Ambig [HN 137 HN 136] )
&rst
ixpk= 3142, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=2133,2116,
&end
#
# 138 VAL HN 0 AMB m:3149 6.00 (# 3149.1 Single Ambig [QB 139 QB 106 QB 141] )
&rst
ixpk= 3149, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=2170,2171,1653,1654,2206,2207,
&end
#
# 138 VAL HN 137 GLN QB 3.80 (# 3156.1 Unique )
&rst
ixpk= 3156, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=2137,2138,
&end
#
# 138 VAL HN 0 AMB m:3161 6.00 (# 3161.1 Single Ambig [HG 139 QB 139] )
&rst
ixpk= 3161, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2173,2170,2171,
&end
#
# 138 VAL HN 136 GLN HA 6.00 (# 3173.1 Unique )
&rst
ixpk= 3173, nxpk= 0, iat=2150,2118, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 138 VAL HN 140 GLN HN 5.40 (# 3182.1 Unique )
&rst
ixpk= 3182, nxpk= 0, iat=2150,2185, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 138 VAL HN 141 LEU HN 6.00 (# 3185.1 Unique )
&rst
ixpk= 3185, nxpk= 0, iat=2150,2202, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 138 VAL HN 135 ARG HN 6.00 (# 3188.1 Unique )
&rst
ixpk= 3188, nxpk= 0, iat=2150,2092, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 137 GLN HN 135 ARG QB 6.00 (# 3198.1 Unique )
&rst
ixpk= 3198, nxpk= 0, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2096,2097,
&end
#
# 137 GLN HN 135 ARG QB 5.40 (# 3204.1 Unique )
&rst
ixpk= 3204, nxpk= 0, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=2096,2097,
&end
#
# 137 GLN HN 136 GLN QB 5.80 (# 3208.1 Unique )
&rst
ixpk= 3208, nxpk= 0, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=2120,2121,
&end
#
# 137 GLN HN 138 VAL HA 6.00 (# 3211.1 Unique )
&rst
ixpk= 3211, nxpk= 0, iat=2133,2152, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 137 GLN HN 135 ARG HA 5.80 (# 3214.1 Unique )
&rst
ixpk= 3214, nxpk= 0, iat=2133,2094, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 137 GLN HN 135 ARG HN 6.00 (# 3217.1 Unique )
&rst
ixpk= 3217, nxpk= 0, iat=2133,2092, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 136 GLN HN 132 ASN QB 6.00 (# 3220.1 Unique )
&rst
ixpk= 3220, nxpk= 0, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2050,2051,
&end
#
# 136 GLN HN 134 ALA HN 5.40 (# 3236.1 Unique )
&rst
ixpk= 3236, nxpk= 0, iat=2116,2082, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 136 GLN HN 0 AMB m:3239 5.60 (# 3239.1 Single Ambig [HN 138 HN 139] )
&rst
ixpk= 3239, nxpk= 0, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=2150,2166,
&end
#
# 136 GLN HN 133 LYS HN 6.00 (# 3243.1 Unique )
&rst
ixpk= 3243, nxpk= 0, iat=2116,2060, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 135 ARG HN 136 GLN QB 6.00 (# 3255.1 Unique )
&rst
ixpk= 3255, nxpk= 0, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2120,2121,
&end
#
# 135 ARG HN 138 VAL HB 6.00 (# 3259.1 Unique )
&rst
ixpk= 3259, nxpk= 0, iat=2092,2154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 135 ARG HN 133 LYS HA 6.00 (# 3272.1 Unique )
&rst
ixpk= 3272, nxpk= 0, iat=2092,2062, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 135 ARG HN 132 ASN HA 5.00 (# 3275.1 Unique )
&rst
ixpk= 3275, nxpk= 0, iat=2092,2048, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 135 ARG HN 133 LYS HN 5.80 (# 3278.1 Unique )
&rst
ixpk= 3278, nxpk= 0, iat=2092,2060, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 134 ALA HN 113 ILE MG2 5.60 (# 3281.1 Unique )
&rst
ixpk= 3281, nxpk= 0, iat=2082, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1770,1771,1772,
&end
#
# 134 ALA HN 133 LYS QB 6.00 (# 3284.1 Unique )
&rst
ixpk= 3284, nxpk= 0, iat=2082, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2064,2065,
&end
#
# 134 ALA HN 135 ARG HA 6.00 (# 3292.1 Unique )
&rst
ixpk= 3292, nxpk= 0, iat=2082,2094, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 134 ALA HN 133 LYS HA 4.70 (# 3295.1 Unique )
&rst
ixpk= 3295, nxpk= 0, iat=2082,2062, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 134 ALA HN 130 SER QB 6.00 (# 3301.1 Unique )
&rst
ixpk= 3301, nxpk= 0, iat=2082, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2020,2021,
&end
#
# 134 ALA HN 0 AMB m:3307 5.20 (# 3307.1 Single Ambig [HN 136 HN 137] )
&rst
ixpk= 3307, nxpk= 0, iat=2082, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=2116,2133,
&end
#
# 134 ALA HN 132 ASN HN 5.60 (# 3311.1 Unique )
&rst
ixpk= 3311, nxpk= 0, iat=2082,2046, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 132 ASN HN 131 LEU MD1 6.00 (# 3320.1 Unique )
&rst
ixpk= 3320, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2036,2037,2038,
&end
#
# 132 ASN HN 130 SER HA 6.00 (# 3326.1 Unique )
&rst
ixpk= 3326, nxpk= 0, iat=2046,2018, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 132 ASN HN 133 LYS HA 6.00 (# 3329.1 Unique )
&rst
ixpk= 3329, nxpk= 0, iat=2046,2062, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 132 ASN HN 136 GLN HN 6.00 (# 3332.1 Unique )
&rst
ixpk= 3332, nxpk= 0, iat=2046,2116, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 132 ASN HN 130 SER HN 6.00 (# 3335.1 Unique )
&rst
ixpk= 3335, nxpk= 0, iat=2046,2016, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 130 SER HN 133 LYS QB 6.00 (# 3345.1 Unique )
&rst
ixpk= 3345, nxpk= 0, iat=2016, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2064,2065,
&end
#
# 130 SER HN 133 LYS HA 6.00 (# 3349.1 Unique )
&rst
ixpk= 3349, nxpk= 0, iat=2016,2062, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 130 SER HN 133 LYS HN 6.00 (# 3359.1 Unique )
&rst
ixpk= 3359, nxpk= 0, iat=2016,2060, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 130 SER HN 131 LEU HN 6.00 (# 3362.1 Unique )
&rst
ixpk= 3362, nxpk= 0, iat=2016,2027, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 129 VAL HN 124 LEU MD2 6.00 (# 3365.1 Unique )
&rst
ixpk= 3365, nxpk= 0, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1940,1941,1942,
&end
#
# 129 VAL HN 124 LEU QB 6.00 (# 3368.1 Unique )
&rst
ixpk= 3368, nxpk= 0, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1931,1932,
&end
#
# 129 VAL HN 125 ASN QB 6.00 (# 3376.1 Unique )
&rst
ixpk= 3376, nxpk= 0, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1950,1951,
&end
#
# 129 VAL HN 130 SER HN 5.80 (# 3383.1 Unique )
&rst
ixpk= 3383, nxpk= 0, iat=2000,2016, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 129 VAL HN 127 LEU HN 6.00 (# 3386.1 Unique )
&rst
ixpk= 3386, nxpk= 0, iat=2000,1974, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 127 LEU HN 0 AMB m:3396 5.40 (# 3396.1 Single Ambig [HN 129 HN 125] )
&rst
ixpk= 3396, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=2000,1946,
&end
#
# 126 ASN HN 127 LEU HG 6.00 (# 3403.1 Unique )
&rst
ixpk= 3403, nxpk= 0, iat=1960,1981, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 126 ASN HN 124 LEU HA 6.00 (# 3409.1 Unique )
&rst
ixpk= 3409, nxpk= 0, iat=1960,1929, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 126 ASN HN 126 ASN QD2 6.00 (# 3418.1 Unique )
&rst
ixpk= 3418, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1969,1970,
&end
#
# 126 ASN HN 126 ASN QD2 5.40 (# 3421.1 Unique )
&rst
ixpk= 3421, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1969,1970,
&end
#
# 126 ASN HN 123 VAL HN 4.80 (# 3424.1 Unique )
&rst
ixpk= 3424, nxpk= 0, iat=1960,1911, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 125 ASN HN 0 AMB m:3444 6.00 (# 3444.1 Single Ambig [HB 129 HG 127] )
&rst
ixpk= 3444, nxpk= 0, iat=1946, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2004,1981,
&end
#
# 125 ASN HN 0 AMB m:3455 4.60 (# 3455.1 Single Ambig [HA 124 HA 121] )
&rst
ixpk= 3455, nxpk= 0, iat=1946, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1929,1879,
&end
#
# 125 ASN HN 126 ASN HA 6.00 (# 3462.1 Unique )
&rst
ixpk= 3462, nxpk= 0, iat=1946,1962, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 125 ASN HN 0 AMB m:3468 5.80 (# 3468.1 Single Ambig [HN 128 HN 122] )
&rst
ixpk= 3468, nxpk= 0, iat=1946, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1993,1887,
&end
#
# 125 ASN HN 123 VAL HN 4.30 (# 3472.1 Unique )
&rst
ixpk= 3472, nxpk= 0, iat=1946,1911, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 124 LEU HN 122 ARG HA 5.40 (# 3488.1 Unique )
&rst
ixpk= 3488, nxpk= 0, iat=1927,1889, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 124 LEU HN 121 ALA HN 5.60 (# 3491.1 Unique )
&rst
ixpk= 3491, nxpk= 0, iat=1927,1877, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 62 LYS HN 0 AMB m:3494 5.40 (# 3494.1 Single Ambig [HN 60 HN 59] )
&rst
ixpk= 3494, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 912, 890,
&end
#
# 62 LYS HN 61 GLN QE2 6.00 (# 3498.1 Unique; orig = 4.00 )
&rst
ixpk= 3498, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 943, 944,
&end
#
# 123 VAL HN 121 ALA HA 5.20 (# 3507.1 Unique )
&rst
ixpk= 3507, nxpk= 0, iat=1911,1879, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 123 VAL HN 121 ALA HN 5.10 (# 3520.1 Unique )
&rst
ixpk= 3520, nxpk= 0, iat=1911,1877, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 122 ARG HN 125 ASN HN 6.00 (# 3542.1 Unique )
&rst
ixpk= 3542, nxpk= 0, iat=1887,1946, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 122 ARG HN 124 LEU HN 5.40 (# 3545.1 Unique )
&rst
ixpk= 3545, nxpk= 0, iat=1887,1927, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 122 ARG HN 125 ASN QD2 6.00 (# 3548.1 Unique )
&rst
ixpk= 3548, nxpk= 0, iat=1887, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1955,1956,
&end
#
# 34 ILE HN 29 ILE QG1 6.00 (# 3551.1 Unique )
&rst
ixpk= 3551, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 466, 467,
&end
#
# 0 AMB m:3554a 0 AMB m:3554b 6.00 (# 3554.1 Double Ambig [HN 34 HN 121] [QG 32 QB 112] )
&rst
ixpk= 3554, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 528,1877,
igr2= 503, 504,1749,1750,
&end
#
# 121 ALA HN 124 LEU QB 6.00 (# 3559.1 Unique; orig = 5.40 )
&rst
ixpk= 3559, nxpk= 0, iat=1877, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1931,1932,
&end
#
# 121 ALA HN 122 ARG QB 6.00 (# 3563.1 Unique; orig = 5.40 )
&rst
ixpk= 3563, nxpk= 0, iat=1877, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1891,1892,
&end
#
# 121 ALA HN 118 GLY QA 6.00 (# 3567.1 Unique )
&rst
ixpk= 3567, nxpk= 0, iat=1877, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1846,1847,
&end
#
# 121 ALA HN 122 ARG HA 6.00 (# 3574.1 Unique )
&rst
ixpk= 3574, nxpk= 0, iat=1877,1889, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 121 ALA HN 119 VAL HN 6.00 (# 3584.1 Unique )
&rst
ixpk= 3584, nxpk= 0, iat=1877,1851, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 121 ALA HN 117 GLU HN 5.80 (# 3587.1 Unique )
&rst
ixpk= 3587, nxpk= 0, iat=1877,1829, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 120 ALA HN 32 GLU HN 5.60 (# 3590.1 Unique )
&rst
ixpk= 3590, nxpk= 0, iat=1867, 496, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 120 ALA HN 32 GLU HA 4.80 (# 3608.1 Unique )
&rst
ixpk= 3608, nxpk= 0, iat=1867, 498, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 120 ALA HN 118 GLY QA 6.00 (# 3615.1 Unique )
&rst
ixpk= 3615, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1846,1847,
&end
#
# 120 ALA HN 31 THR HB 5.00 (# 3619.1 Unique )
&rst
ixpk= 3619, nxpk= 0, iat=1867, 486, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 119 VAL HN 118 GLY HN 6.00 (# 3622.1 Unique )
&rst
ixpk= 3622, nxpk= 0, iat=1851,1844, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 119 VAL HN 32 GLU HN 6.00 (# 3625.1 Unique )
&rst
ixpk= 3625, nxpk= 0, iat=1851, 496, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 119 VAL HN 120 ALA HA 6.00 (# 3634.1 Unique )
&rst
ixpk= 3634, nxpk= 0, iat=1851,1869, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 55 LEU HN 50 LEU QB 6.00 (# 3643.1 Unique )
&rst
ixpk= 3643, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 770, 771,
&end
#
# 117 GLU HN 117 GLU QG 4.50 (# 3647.1 Unique; orig = 3.90 )
&rst
ixpk= 3647, nxpk= 0, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1836,1837,
&end
#
# 117 GLU HN 83 ARG QB 6.00 (# 3651.1 Unique )
&rst
ixpk= 3651, nxpk= 0, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1283,1284,
&end
#
# 55 LEU HN 53 LEU HN 5.20 (# 3663.1 Unique )
&rst
ixpk= 3663, nxpk= 0, iat= 838, 812, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 55 LEU HN 56 GLY HN 5.40 (# 3666.1 Unique )
&rst
ixpk= 3666, nxpk= 0, iat= 838, 857, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 110 LEU HN 0 AMB m:3672 6.00 (# 3672.1 Single Ambig [QG 106 MB 134] )
&rst
ixpk= 3672, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=1656,1657,2086,2087,2088,
&end
#
# 110 LEU HN 110 LEU QB 3.90 (# 3677.1 Unique )
&rst
ixpk= 3677, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1723,1724,
&end
#
# 110 LEU HN 108 ILE HA 6.00 (# 3681.1 Unique )
&rst
ixpk= 3681, nxpk= 0, iat=1719,1683, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 110 LEU HN 111 GLY QA 6.00 (# 3687.1 Unique )
&rst
ixpk= 3687, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1740,1741,
&end
#
# 110 LEU HN 106 GLU HA 6.00 (# 3691.1 Unique )
&rst
ixpk= 3691, nxpk= 0, iat=1719,1651, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 110 LEU HN 112 LEU HN 6.00 (# 3694.1 Unique )
&rst
ixpk= 3694, nxpk= 0, iat=1719,1745, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 110 LEU HN 107 HIS HN 6.00 (# 3697.1 Unique )
&rst
ixpk= 3697, nxpk= 0, iat=1719,1664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 LEU HN 0 AMB m:3703 6.00 (# 3703.1 Single Ambig [QG 106 QB 112] )
&rst
ixpk= 3703, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1656,1657,1749,1750,
&end
#
# 109 LEU HN 107 HIS QB 6.00 (# 3712.1 Unique )
&rst
ixpk= 3712, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1668,1669,
&end
#
# 109 LEU HN 108 ILE HA 4.80 (# 3716.1 Unique )
&rst
ixpk= 3716, nxpk= 0, iat=1700,1683, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 109 LEU HN 107 HIS HN 5.40 (# 3722.1 Unique )
&rst
ixpk= 3722, nxpk= 0, iat=1700,1664, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 108 ILE HN 91 SER QB 6.00 (# 3736.1 Unique )
&rst
ixpk= 3736, nxpk= 0, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1430,1431,
&end
#
# 108 ILE HN 0 AMB m:3740 4.50 (# 3740.1 Single Ambig [HA 105 HA 106] )
&rst
ixpk= 3740, nxpk= 0, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1637,1651,
&end
#
# 108 ILE HN 111 GLY HN 6.00 (# 3747.1 Unique )
&rst
ixpk= 3747, nxpk= 0, iat=1681,1738, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 103 VAL HN 104 GLY HN 6.00 (# 3750.1 Unique )
&rst
ixpk= 3750, nxpk= 0, iat=1612,1628, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 103 VAL HN 6 PHE QB 6.00 (# 3753.1 Unique )
&rst
ixpk= 3753, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 93, 94,
&end
#
# 103 VAL HN 7 THR MG2 5.40 (# 3766.1 Unique )
&rst
ixpk= 3766, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 115, 116, 117,
&end
#
# 103 VAL HN 104 GLY QA 6.00 (# 3769.1 Unique )
&rst
ixpk= 3769, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1630,1631,
&end
#
# 103 VAL HN 102 TYR HN 6.00 (# 3776.1 Unique )
&rst
ixpk= 3776, nxpk= 0, iat=1612,1591, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 103 VAL HN 5 ARG HN 6.00 (# 3779.1 Unique )
&rst
ixpk= 3779, nxpk= 0, iat=1612, 65, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 102 TYR HN 102 TYR QB 3.90 (# 3792.1 Unique )
&rst
ixpk= 3792, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1595,1596,
&end
#
# 102 TYR HN 102 TYR HE 6.00 (# 3804.1 Unique )
&rst
ixpk= 3804, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1601,1606,
&end
#
# 101 SER HN 100 HIS QB 6.00 (# 3810.1 Unique )
&rst
ixpk= 3810, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1567,1568,
&end
#
# 101 SER HN 101 SER QB 4.90 (# 3814.1 Unique )
&rst
ixpk= 3814, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1584,1585,
&end
#
# 101 SER HN 101 SER HA 5.00 (# 3818.1 Unique )
&rst
ixpk= 3818, nxpk= 0, iat=1580,1582, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 SER HN 102 TYR HD 6.00 (# 3821.1 Unique )
&rst
ixpk= 3821, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1599,1608,
&end
#
# 101 SER HN 0 AMB m:3824 6.00 (# 3824.1 Single Ambig [HD2 100 HD 3] )
&rst
ixpk= 3824, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1576, 46, 54,
&end
#
# 101 SER HN 100 HIS HN 6.00 (# 3831.1 Unique )
&rst
ixpk= 3831, nxpk= 0, iat=1580,1563, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 100 HIS HN 98 LEU QB 4.60 (# 3837.1 Unique )
&rst
ixpk= 3837, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1541,1542,
&end
#
# 100 HIS HN 95 ALA HA 5.30 (# 3844.1 Unique )
&rst
ixpk= 3844, nxpk= 0, iat=1563,1483, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 100 HIS HN 98 LEU HA 6.00 (# 3847.1 Unique )
&rst
ixpk= 3847, nxpk= 0, iat=1563,1539, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 100 HIS HN 101 SER HA 6.00 (# 3850.1 Unique )
&rst
ixpk= 3850, nxpk= 0, iat=1563,1582, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 100 HIS HN 102 TYR HN 6.00 (# 3859.1 Unique )
&rst
ixpk= 3859, nxpk= 0, iat=1563,1591, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 100 HIS HN 107 HIS HE1 6.00 (# 3862.1 Unique )
&rst
ixpk= 3862, nxpk= 0, iat=1563,1673, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 98 LEU HN 97 LYS QB 5.00 (# 3865.1 Unique )
&rst
ixpk= 3865, nxpk= 0, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1519,1520,
&end
#
# 98 LEU HN 0 AMB m:3875 6.00 (# 3875.1 Single Ambig [QA 99 HA 96] )
&rst
ixpk= 3875, nxpk= 0, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1558,1559,1493,
&end
#
# 98 LEU HN 0 AMB m:3880 5.60 (# 3880.1 Single Ambig [HN 96 HN 95] )
&rst
ixpk= 3880, nxpk= 0, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1491,1481,
&end
#
# 97 LYS HN 0 AMB m:3888 6.00 (# 3888.1 Single Ambig [QB 96 QB 98] )
&rst
ixpk= 3888, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1495,1496,1541,1542,
&end
#
# 97 LYS HN 96 ARG QB 6.00 (# 3893.1 Unique )
&rst
ixpk= 3893, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1495,1496,
&end
#
# 97 LYS HN 100 HIS HN 6.00 (# 3910.1 Unique )
&rst
ixpk= 3910, nxpk= 0, iat=1515,1563, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 97 LYS HN 99 GLY HN 6.00 (# 3913.1 Unique )
&rst
ixpk= 3913, nxpk= 0, iat=1515,1556, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 ARG HN 103 VAL MG2 6.00 (# 3916.1 Unique )
&rst
ixpk= 3916, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1622,1623,1624,
&end
#
# 96 ARG HN 0 AMB m:3926 4.80 (# 3926.1 Single Ambig [HA 94 HA 92] )
&rst
ixpk= 3926, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1468,1439,
&end
#
# 96 ARG HN 93 ASP HA 4.50 (# 3930.1 Unique )
&rst
ixpk= 3930, nxpk= 0, iat=1491,1456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 ARG HN 95 ALA HA 5.20 (# 3933.1 Unique )
&rst
ixpk= 3933, nxpk= 0, iat=1491,1483, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 96 ARG HN 96 ARG QB 6.00 (# 3936.1 Unique )
&rst
ixpk= 3936, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1495,1496,
&end
#
# 96 ARG HN 100 HIS QB 6.00 (# 3942.1 Unique )
&rst
ixpk= 3942, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1567,1568,
&end
#
# 96 ARG HN 100 HIS HN 6.00 (# 3946.1 Unique )
&rst
ixpk= 3946, nxpk= 0, iat=1491,1563, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 ARG HN 98 LEU HN 6.00 (# 3949.1 Unique )
&rst
ixpk= 3949, nxpk= 0, iat=1491,1537, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 94 GLU HN 114 ARG QB 6.00 (# 3958.1 Unique )
&rst
ixpk= 3958, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1787,1788,
&end
#
# 94 GLU HN 95 ALA HA 6.00 (# 3965.1 Unique )
&rst
ixpk= 3965, nxpk= 0, iat=1466,1483, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 94 GLU HN 111 GLY QA 6.00 (# 3971.1 Unique )
&rst
ixpk= 3971, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1740,1741,
&end
#
# 94 GLU HN 97 LYS HN 6.00 (# 3975.1 Unique )
&rst
ixpk= 3975, nxpk= 0, iat=1466,1515, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 94 GLU HN 92 MET HN 5.60 (# 3978.1 Unique )
&rst
ixpk= 3978, nxpk= 0, iat=1466,1437, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 92 MET HN 95 ALA MB 6.00 (# 3987.1 Unique )
&rst
ixpk= 3987, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1485,1486,1487,
&end
#
# 92 MET HN 89 GLU QB 5.80 (# 3993.1 Unique )
&rst
ixpk= 3993, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1396,1397,
&end
#
# 92 MET HN 93 ASP HA 6.00 (# 4004.1 Unique )
&rst
ixpk= 4004, nxpk= 0, iat=1437,1456, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 92 MET HN 0 AMB m:4007 4.70 (# 4007.1 Single Ambig [HA 91 HA 90] )
&rst
ixpk= 4007, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1428,1409,
&end
#
# 92 MET HN 90 LEU HN 6.00 (# 4011.1 Unique )
&rst
ixpk= 4011, nxpk= 0, iat=1437,1407, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 90 LEU HN 88 ILE HA 6.00 (# 4022.1 Unique )
&rst
ixpk= 4022, nxpk= 0, iat=1407,1375, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 90 LEU HN 91 SER HG 6.00 (# 4028.1 Unique )
&rst
ixpk= 4028, nxpk= 0, iat=1407,1433, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 90 LEU HN 88 ILE HN 6.00 (# 4034.1 Unique )
&rst
ixpk= 4034, nxpk= 0, iat=1407,1373, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 88 ILE HN 90 LEU QB 6.00 (# 4046.1 Unique )
&rst
ixpk= 4046, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1411,1412,
&end
#
# 88 ILE HN 89 GLU QB 6.00 (# 4050.1 Unique )
&rst
ixpk= 4050, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1396,1397,
&end
#
# 88 ILE HN 89 GLU QG 6.00 (# 4054.1 Unique )
&rst
ixpk= 4054, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1399,1400,
&end
#
# 88 ILE HN 91 SER HG 6.00 (# 4058.1 Unique )
&rst
ixpk= 4058, nxpk= 0, iat=1373,1433, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 88 ILE HN 86 LYS HA 5.80 (# 4061.1 Unique )
&rst
ixpk= 4061, nxpk= 0, iat=1373,1337, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 88 ILE HN 85 LYS HN 6.00 (# 4076.1 Unique )
&rst
ixpk= 4076, nxpk= 0, iat=1373,1313, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 87 VAL HN 83 ARG QB 6.00 (# 4086.1 Unique )
&rst
ixpk= 4086, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1283,1284,
&end
#
# 87 VAL HN 88 ILE HA 6.00 (# 4093.1 Unique )
&rst
ixpk= 4093, nxpk= 0, iat=1357,1375, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 86 LYS HN 85 LYS QB 6.00 (# 4099.1 Unique )
&rst
ixpk= 4099, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1317,1318,
&end
#
# 86 LYS HN 86 LYS QB 6.00 (# 4103.1 Unique )
&rst
ixpk= 4103, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1339,1340,
&end
#
# 86 LYS HN 0 AMB m:4107 6.00 (# 4107.1 Single Ambig [QB 86 MB 84] )
&rst
ixpk= 4107, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=1339,1340,1307,1308,1309,
&end
#
# 86 LYS HN 87 VAL HB 6.00 (# 4112.1 Unique )
&rst
ixpk= 4112, nxpk= 0, iat=1335,1361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 86 LYS HN 88 ILE HB 6.00 (# 4115.1 Unique )
&rst
ixpk= 4115, nxpk= 0, iat=1335,1377, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 86 LYS HN 85 LYS HA 5.10 (# 4125.1 Unique )
&rst
ixpk= 4125, nxpk= 0, iat=1335,1315, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 85 LYS HN 88 ILE QG1 6.00 (# 4135.1 Unique )
&rst
ixpk= 4135, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1383,1384,
&end
#
# 85 LYS HN 85 LYS QB 6.00 (# 4147.1 Unique )
&rst
ixpk= 4147, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1317,1318,
&end
#
# 85 LYS HN 0 AMB m:4154 6.00 (# 4154.1 Single Ambig [HA 83 HA 86] )
&rst
ixpk= 4154, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1281,1337,
&end
#
# 85 LYS HN 80 TYR HA 5.10 (# 4158.1 Unique )
&rst
ixpk= 4158, nxpk= 0, iat=1313,1232, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 85 LYS HN 80 TYR HD 6.00 (# 4161.1 Unique )
&rst
ixpk= 4161, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1238,1247,
&end
#
# 85 LYS HN 83 ARG HN 5.20 (# 4164.1 Unique )
&rst
ixpk= 4164, nxpk= 0, iat=1313,1279, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 78 ILE HN 22 LEU MD1 4.50 (# 4170.1 Unique; orig = 3.90 )
&rst
ixpk= 4170, nxpk= 0, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 351, 352, 353,
&end
#
# 78 ILE HN 18 GLN QB 6.00 (# 4182.1 Unique )
&rst
ixpk= 4182, nxpk= 0, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 289, 290,
&end
#
# 78 ILE HN 77 THR HN 5.20 (# 4186.1 Unique )
&rst
ixpk= 4186, nxpk= 0, iat=1194,1180, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 83 ARG HN 81 THR MG2 6.00 (# 4193.1 Unique )
&rst
ixpk= 4193, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1257,1258,1259,
&end
#
# 83 ARG HN 82 PRO QB 6.00 (# 4199.1 Unique )
&rst
ixpk= 4199, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1272,1273,
&end
#
# 83 ARG HN 84 ALA HA 6.00 (# 4207.1 Unique )
&rst
ixpk= 4207, nxpk= 0, iat=1279,1305, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 83 ARG HN 82 PRO QB 4.70 (# 4214.1 Unique )
&rst
ixpk= 4214, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1272,1273,
&end
#
# 83 ARG HN 81 THR HA 5.60 (# 4221.1 Unique )
&rst
ixpk= 4221, nxpk= 0, iat=1279,1253, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 83 ARG HN 81 THR HG1 5.40 (# 4227.1 Unique )
&rst
ixpk= 4227, nxpk= 0, iat=1279,1261, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 83 ARG HN 86 LYS HN 6.00 (# 4230.1 Unique )
&rst
ixpk= 4230, nxpk= 0, iat=1279,1335, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 80 TYR HN 29 ILE MD 6.00 (# 4233.1 Unique )
&rst
ixpk= 4233, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 469, 470, 471,
&end
#
# 80 TYR HN 0 AMB m:4239 6.00 (# 4239.1 Single Ambig [MB 84 QB 85] )
&rst
ixpk= 4239, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=1307,1308,1309,1317,1318,
&end
#
# 80 TYR HN 85 LYS QB 6.00 (# 4243.1 Unique )
&rst
ixpk= 4243, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1317,1318,
&end
#
# 80 TYR HN 80 TYR HA 4.10 (# 4247.1 Unique )
&rst
ixpk= 4247, nxpk= 0, iat=1230,1232, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 80 TYR HN 80 TYR HE 6.00 (# 4250.1 Unique )
&rst
ixpk= 4250, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1240,1245,
&end
#
# 80 TYR HN 79 HIS HD2 6.00 (# 4256.1 Unique )
&rst
ixpk= 4256, nxpk= 0, iat=1230,1226, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 80 TYR HN 29 ILE HN 6.00 (# 4259.1 Unique )
&rst
ixpk= 4259, nxpk= 0, iat=1230, 456, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 80 TYR HN 79 HIS HN 6.00 (# 4262.1 Unique )
&rst
ixpk= 4262, nxpk= 0, iat=1230,1213, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 79 HIS HN 29 ILE MD 6.00 (# 4265.1 Unique )
&rst
ixpk= 4265, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 469, 470, 471,
&end
#
# 79 HIS HN 29 ILE QG1 6.00 (# 4271.1 Unique )
&rst
ixpk= 4271, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 466, 467,
&end
#
# 79 HIS HN 0 AMB m:4282 6.00 (# 4282.1 Single Ambig [QB 27 QB 80] )
&rst
ixpk= 4282, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 432, 433,1234,1235,
&end
#
# 79 HIS HN 27 ASN HA 6.00 (# 4293.1 Unique )
&rst
ixpk= 4293, nxpk= 0, iat=1213, 430, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 79 HIS HN 29 ILE HN 6.00 (# 4296.1 Unique )
&rst
ixpk= 4296, nxpk= 0, iat=1213, 456, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 79 HIS HN 79 HIS HD2 6.00 (# 4299.1 Unique )
&rst
ixpk= 4299, nxpk= 0, iat=1213,1226, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 84 ALA HN 88 ILE QG1 6.00 (# 4309.1 Unique )
&rst
ixpk= 4309, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1383,1384,
&end
#
# 84 ALA HN 83 ARG QB 4.10 (# 4317.1 Unique )
&rst
ixpk= 4317, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1283,1284,
&end
#
# 84 ALA HN 87 VAL HB 6.00 (# 4325.1 Unique )
&rst
ixpk= 4325, nxpk= 0, iat=1303,1361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 84 ALA HN 80 TYR QB 6.00 (# 4328.1 Unique )
&rst
ixpk= 4328, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1234,1235,
&end
#
# 84 ALA HN 82 PRO QB 6.00 (# 4336.1 Unique; orig = 4.10 )
&rst
ixpk= 4336, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1272,1273,
&end
#
# 84 ALA HN 83 ARG HA 5.20 (# 4340.1 Unique )
&rst
ixpk= 4340, nxpk= 0, iat=1303,1281, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 84 ALA HN 81 THR HG1 4.10 (# 4346.1 Unique )
&rst
ixpk= 4346, nxpk= 0, iat=1303,1261, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 84 ALA HN 30 GLY QA 5.60 (# 4349.1 Unique )
&rst
ixpk= 4349, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 477, 478,
&end
#
# 84 ALA HN 81 THR HA 6.00 (# 4356.1 Unique )
&rst
ixpk= 4356, nxpk= 0, iat=1303,1253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 84 ALA HN 80 TYR HD 6.00 (# 4359.1 Unique )
&rst
ixpk= 4359, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1238,1247,
&end
#
# 84 ALA HN 86 LYS HN 5.60 (# 4362.1 Unique )
&rst
ixpk= 4362, nxpk= 0, iat=1303,1335, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 77 THR HN 0 AMB m:4372 6.00 (# 4372.1 Single Ambig [QE2 76 QD2 27] )
&rst
ixpk= 4372, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1175,1176, 437, 438,
&end
#
# 76 GLN HN 0 AMB m:4376 6.00 (# 4376.1 Single Ambig [MD2 22 MD1 22] )
&rst
ixpk= 4376, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 355, 356, 357, 351, 352, 353,
&end
#
# 76 GLN HN 27 ASN QB 6.00 (# 4392.1 Unique )
&rst
ixpk= 4392, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 432, 433,
&end
#
# 73 GLU HN 26 HIS HA 6.00 (# 4396.1 Unique; orig = 4.90 )
&rst
ixpk= 4396, nxpk= 0, iat=1120, 413, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 76 GLN HN 75 SER QB 6.00 (# 4399.1 Unique )
&rst
ixpk= 4399, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1156,1157,
&end
#
# 76 GLN HN 0 AMB m:4403 5.80 (# 4403.1 Single Ambig [QD2 27 QE2 76] )
&rst
ixpk= 4403, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr2= 437, 438,1175,1176,
&end
#
# 76 GLN HN 0 AMB m:4410 6.00 (# 4410.1 Single Ambig [QD2 27 QE2 76] )
&rst
ixpk= 4410, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 437, 438,1175,1176,
&end
#
# 75 SER HN 22 LEU MD2 6.00 (# 4417.1 Unique )
&rst
ixpk= 4417, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 355, 356, 357,
&end
#
# 75 SER HN 27 ASN QB 6.00 (# 4430.1 Unique )
&rst
ixpk= 4430, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 432, 433,
&end
#
# 75 SER HN 76 GLN HA 6.00 (# 4434.1 Unique )
&rst
ixpk= 4434, nxpk= 0, iat=1152,1165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 74 MET HN 75 SER QB 6.00 (# 4453.1 Unique )
&rst
ixpk= 4453, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1156,1157,
&end
#
# 74 MET HN 27 ASN QD2 6.00 (# 4460.1 Unique )
&rst
ixpk= 4460, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 437, 438,
&end
#
# 74 MET HN 27 ASN QD2 6.00 (# 4463.1 Unique )
&rst
ixpk= 4463, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 437, 438,
&end
#
# 72 GLN HN 25 GLY QA 6.00 (# 4469.1 Unique )
&rst
ixpk= 4469, nxpk= 0, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 406, 407,
&end
#
# 70 ARG HN 71 GLY QA 6.00 (# 4483.1 Unique )
&rst
ixpk= 4483, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1098,1099,
&end
#
# 70 ARG HN 69 GLY HN 5.60 (# 4490.1 Unique )
&rst
ixpk= 4490, nxpk= 0, iat=1072,1065, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 68 ILE HN 69 GLY QA 6.00 (# 4506.1 Unique )
&rst
ixpk= 4506, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1067,1068,
&end
#
# 67 LEU HN 68 ILE MG2 6.00 (# 4513.1 Unique )
&rst
ixpk= 4513, nxpk= 0, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1052,1053,1054,
&end
#
# 67 LEU HN 119 VAL MG2 6.00 (# 4516.1 Unique )
&rst
ixpk= 4516, nxpk= 0, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1861,1862,1863,
&end
#
# 67 LEU HN 68 ILE QG1 6.00 (# 4519.1 Unique )
&rst
ixpk= 4519, nxpk= 0, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1056,1057,
&end
#
# 67 LEU HN 64 VAL HB 6.00 (# 4526.1 Unique )
&rst
ixpk= 4526, nxpk= 0, iat=1027, 989, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 67 LEU HN 0 AMB m:4541 5.80 (# 4541.1 Single Ambig [HN 65 HN 64] )
&rst
ixpk= 4541, nxpk= 0, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1001, 985,
&end
#
# 66 SER HN 67 LEU MD2 6.00 (# 4545.1 Unique )
&rst
ixpk= 4545, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1040,1041,1042,
&end
#
# 66 SER HN 67 LEU QB 6.00 (# 4552.1 Unique )
&rst
ixpk= 4552, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1031,1032,
&end
#
# 66 SER HN 68 ILE QG1 6.00 (# 4556.1 Unique )
&rst
ixpk= 4556, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1056,1057,
&end
#
# 66 SER HN 0 AMB m:4560 6.00 (# 4560.1 Single Ambig [QB 67 HG 67] )
&rst
ixpk= 4560, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1031,1032,1034,
&end
#
# 66 SER HN 65 GLU QG 6.00 (# 4565.1 Unique )
&rst
ixpk= 4565, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1008,1009,
&end
#
# 66 SER HN 67 LEU HA 6.00 (# 4576.1 Unique )
&rst
ixpk= 4576, nxpk= 0, iat=1016,1029, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 66 SER HN 68 ILE HN 5.60 (# 4579.1 Unique )
&rst
ixpk= 4579, nxpk= 0, iat=1016,1046, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 65 GLU HN 67 LEU HN 5.80 (# 4598.1 Unique )
&rst
ixpk= 4598, nxpk= 0, iat=1001,1027, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 65 GLU HN 68 ILE HN 6.00 (# 4601.1 Unique )
&rst
ixpk= 4601, nxpk= 0, iat=1001,1046, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 65 GLU HN 62 LYS HN 6.00 (# 4604.1 Unique )
&rst
ixpk= 4604, nxpk= 0, iat=1001, 948, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 VAL HN 65 GLU QG 6.00 (# 4611.1 Unique )
&rst
ixpk= 4611, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1008,1009,
&end
#
# 64 VAL HN 60 ILE HA 5.10 (# 4615.1 Unique )
&rst
ixpk= 4615, nxpk= 0, iat= 985, 914, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 64 VAL HN 67 LEU HN 6.00 (# 4624.1 Unique )
&rst
ixpk= 4624, nxpk= 0, iat= 985,1027, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 64 VAL HN 62 LYS HN 6.00 (# 4630.1 Unique )
&rst
ixpk= 4630, nxpk= 0, iat= 985, 948, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 63 GLU HN 64 VAL HA 6.00 (# 4648.1 Unique )
&rst
ixpk= 4648, nxpk= 0, iat= 970, 987, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 63 GLU HN 60 ILE HN 5.60 (# 4654.1 Unique )
&rst
ixpk= 4654, nxpk= 0, iat= 970, 912, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 61 GLN HN 0 AMB m:4660 6.00 (# 4660.1 Single Ambig [MG1 39 MG2 64] )
&rst
ixpk= 4660, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 617, 618, 619, 995, 996, 997,
&end
#
# 61 GLN HN 62 LYS QB 6.00 (# 4664.1 Unique )
&rst
ixpk= 4664, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 952, 953,
&end
#
# 61 GLN HN 62 LYS QB 5.80 (# 4668.1 Unique )
&rst
ixpk= 4668, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 952, 953,
&end
#
# 61 GLN HN 0 AMB m:4676 5.00 (# 4676.1 Single Ambig [HA 57 QB 57] )
&rst
ixpk= 4676, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 866, 868, 869,
&end
#
# 61 GLN HN 36 LEU HA 6.00 (# 4680.1 Unique )
&rst
ixpk= 4680, nxpk= 0, iat= 931, 568, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 61 GLN HN 64 VAL HN 5.00 (# 4683.1 Unique )
&rst
ixpk= 4683, nxpk= 0, iat= 931, 985, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 GLN HN 63 GLU HN 5.20 (# 4686.1 Unique )
&rst
ixpk= 4686, nxpk= 0, iat= 931, 970, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 61 GLN HN 61 GLN QE2 6.00 (# 4689.1 Unique )
&rst
ixpk= 4689, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 943, 944,
&end
#
# 60 ILE HN 61 GLN QB 6.00 (# 4696.1 Unique )
&rst
ixpk= 4696, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 935, 936,
&end
#
# 60 ILE HN 55 LEU QB 6.00 (# 4700.1 Unique )
&rst
ixpk= 4700, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 842, 843,
&end
#
# 60 ILE HN 58 GLU HN 6.00 (# 4717.1 Unique )
&rst
ixpk= 4717, nxpk= 0, iat= 912, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 59 LYS HN 60 ILE MD 6.00 (# 4723.1 Unique )
&rst
ixpk= 4723, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 925, 926, 927,
&end
#
# 59 LYS HN 60 ILE QG1 6.00 (# 4726.1 Unique )
&rst
ixpk= 4726, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 922, 923,
&end
#
# 59 LYS HN 59 LYS QB 6.00 (# 4730.1 Unique )
&rst
ixpk= 4730, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 894, 895,
&end
#
# 59 LYS HN 59 LYS QB 6.00 (# 4738.1 Unique )
&rst
ixpk= 4738, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 894, 895,
&end
#
# 59 LYS HN 57 SER HA 5.60 (# 4745.1 Unique )
&rst
ixpk= 4745, nxpk= 0, iat= 890, 866, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 59 LYS HN 56 GLY QA 5.60 (# 4748.1 Unique )
&rst
ixpk= 4748, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 859, 860,
&end
#
# 59 LYS HN 55 LEU HA 6.00 (# 4752.1 Unique )
&rst
ixpk= 4752, nxpk= 0, iat= 890, 840, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 59 LYS HN 0 AMB m:4755 6.00 (# 4755.1 Single Ambig [HN 61 HN 57] )
&rst
ixpk= 4755, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 931, 864,
&end
#
# 59 LYS HN 62 LYS HN 6.00 (# 4759.1 Unique )
&rst
ixpk= 4759, nxpk= 0, iat= 890, 948, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 58 GLU HN 60 ILE MD 6.00 (# 4762.1 Unique )
&rst
ixpk= 4762, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 925, 926, 927,
&end
#
# 58 GLU HN 61 GLN QB 6.00 (# 4776.1 Unique )
&rst
ixpk= 4776, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 935, 936,
&end
#
# 58 GLU HN 58 GLU QB 3.00 (# 4780.1 Unique )
&rst
ixpk= 4780, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 879, 880,
&end
#
# 58 GLU HN 56 GLY QA 4.70 (# 4785.1 Unique )
&rst
ixpk= 4785, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 859, 860,
&end
#
# 57 SER HN 60 ILE MD 6.00 (# 4789.1 Unique )
&rst
ixpk= 4789, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 925, 926, 927,
&end
#
# 57 SER HN 60 ILE QG1 6.00 (# 4792.1 Unique )
&rst
ixpk= 4792, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 922, 923,
&end
#
# 57 SER HN 0 AMB m:4796 6.00 (# 4796.1 Single Ambig [QB 59 HB 60] )
&rst
ixpk= 4796, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 894, 895, 916,
&end
#
# 57 SER HN 58 GLU QB 6.00 (# 4801.1 Unique )
&rst
ixpk= 4801, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 879, 880,
&end
#
# 57 SER HN 56 GLY HN 6.00 (# 4809.1 Unique )
&rst
ixpk= 4809, nxpk= 0, iat= 864, 857, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 LEU HN 55 LEU QB 6.00 (# 4812.1 Unique )
&rst
ixpk= 4812, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 842, 843,
&end
#
# 53 LEU HN 137 GLN QB 6.00 (# 4816.1 Unique )
&rst
ixpk= 4816, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2137,2138,
&end
#
# 53 LEU HN 51 GLN HA 5.80 (# 4828.1 Unique )
&rst
ixpk= 4828, nxpk= 0, iat= 812, 787, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 52 ALA HN 49 ALA MB 6.00 (# 4831.1 Unique )
&rst
ixpk= 4831, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 760, 761, 762,
&end
#
# 52 ALA HN 48 LYS QB 6.00 (# 4834.1 Unique; orig = 4.50 )
&rst
ixpk= 4834, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 738, 739,
&end
#
# 52 ALA HN 48 LYS QB 6.00 (# 4841.1 Unique )
&rst
ixpk= 4841, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 738, 739,
&end
#
# 52 ALA HN 0 AMB m:4846 6.00 (# 4846.1 Single Ambig [QB 50 QB 53] )
&rst
ixpk= 4846, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 770, 771, 816, 817,
&end
#
# 52 ALA HN 53 LEU HA 6.00 (# 4855.1 Unique )
&rst
ixpk= 4855, nxpk= 0, iat= 802, 814, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 ALA HN 49 ALA HN 6.00 (# 4858.1 Unique )
&rst
ixpk= 4858, nxpk= 0, iat= 802, 756, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 ALA HN 46 ALA MB 5.60 (# 4864.1 Unique )
&rst
ixpk= 4864, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 718, 719, 720,
&end
#
# 49 ALA HN 0 AMB m:4867 6.00 (# 4867.1 Single Ambig [MB 47 MB 52] )
&rst
ixpk= 4867, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 728, 729, 730, 806, 807, 808,
&end
#
# 49 ALA HN 48 LYS QB 6.00 (# 4871.1 Unique )
&rst
ixpk= 4871, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 738, 739,
&end
#
# 49 ALA HN 138 VAL HA 6.00 (# 4879.1 Unique )
&rst
ixpk= 4879, nxpk= 0, iat= 756,2152, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 ALA HN 47 ALA HN 5.60 (# 4888.1 Unique )
&rst
ixpk= 4888, nxpk= 0, iat= 756, 724, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 47 ALA HN 38 LEU MD2 5.00 (# 4891.1 Unique )
&rst
ixpk= 4891, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 605, 606, 607,
&end
#
# 47 ALA HN 49 ALA MB 6.00 (# 4894.1 Unique )
&rst
ixpk= 4894, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 760, 761, 762,
&end
#
# 47 ALA HN 38 LEU QB 4.80 (# 4897.1 Unique )
&rst
ixpk= 4897, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 596, 597,
&end
#
# 47 ALA HN 45 ILE HA 6.00 (# 4900.1 Unique )
&rst
ixpk= 4900, nxpk= 0, iat= 724, 697, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 ALA HN 46 ALA HA 4.60 (# 4903.1 Unique )
&rst
ixpk= 4903, nxpk= 0, iat= 724, 716, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 47 ALA HN 48 LYS HA 6.00 (# 4906.1 Unique )
&rst
ixpk= 4906, nxpk= 0, iat= 724, 736, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 ALA HN 44 GLY QA 6.00 (# 4909.1 Unique )
&rst
ixpk= 4909, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 690, 691,
&end
#
# 47 ALA HN 44 GLY HN 6.00 (# 4916.1 Unique )
&rst
ixpk= 4916, nxpk= 0, iat= 724, 688, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 ALA HN 45 ILE HN 6.00 (# 4919.1 Unique )
&rst
ixpk= 4919, nxpk= 0, iat= 724, 695, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 46 ALA HN 106 GLU HN 5.80 (# 4922.1 Unique )
&rst
ixpk= 4922, nxpk= 0, iat= 714,1649, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 46 ALA HN 49 ALA MB 6.00 (# 4925.1 Unique )
&rst
ixpk= 4925, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 760, 761, 762,
&end
#
# 46 ALA HN 0 AMB m:4928 5.20 (# 4928.1 Single Ambig [QB 106 QG1 45] )
&rst
ixpk= 4928, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=1653,1654, 705, 706,
&end
#
# 46 ALA HN 47 ALA MB 6.00 (# 4934.1 Unique )
&rst
ixpk= 4934, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 728, 729, 730,
&end
#
# 46 ALA HN 105 THR HG1 4.30 (# 4937.1 Unique )
&rst
ixpk= 4937, nxpk= 0, iat= 714,1645, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 46 ALA HN 44 GLY QA 5.60 (# 4943.1 Unique )
&rst
ixpk= 4943, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 690, 691,
&end
#
# 46 ALA HN 9 ARG QB 6.00 (# 4950.1 Unique )
&rst
ixpk= 4950, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 142, 143,
&end
#
# 46 ALA HN 44 GLY HN 6.00 (# 4954.1 Unique )
&rst
ixpk= 4954, nxpk= 0, iat= 714, 688, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 46 ALA HN 49 ALA HN 6.00 (# 4957.1 Unique )
&rst
ixpk= 4957, nxpk= 0, iat= 714, 756, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 ILE HN 106 GLU HN 6.00 (# 4960.1 Unique )
&rst
ixpk= 4960, nxpk= 0, iat= 695,1649, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 ILE HN 0 AMB m:4963 6.00 (# 4963.1 Single Ambig [MD 45 MG2 45] )
&rst
ixpk= 4963, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 708, 709, 710, 701, 702, 703,
&end
#
# 45 ILE HN 0 AMB m:4967 6.00 (# 4967.1 Single Ambig [MB 46 MG2 105] )
&rst
ixpk= 4967, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 718, 719, 720,1641,1642,1643,
&end
#
# 45 ILE HN 105 THR HG1 5.00 (# 4975.1 Unique )
&rst
ixpk= 4975, nxpk= 0, iat= 695,1645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 ILE HN 105 THR HB 6.00 (# 4978.1 Unique )
&rst
ixpk= 4978, nxpk= 0, iat= 695,1639, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 ILE HN 46 ALA HA 6.00 (# 4981.1 Unique )
&rst
ixpk= 4981, nxpk= 0, iat= 695, 716, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 ILE HN 44 GLY HN 6.00 (# 4991.1 Unique )
&rst
ixpk= 4991, nxpk= 0, iat= 695, 688, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 GLU HN 47 ALA MB 6.00 (# 5003.1 Unique )
&rst
ixpk= 5003, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 728, 729, 730,
&end
#
# 41 GLU HN 0 AMB m:5014 6.00 (# 5014.1 Single Ambig [QA 37 QA 42] )
&rst
ixpk= 5014, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 587, 588, 668, 669,
&end
#
# 41 GLU HN 39 VAL HN 6.00 (# 5027.1 Unique )
&rst
ixpk= 5027, nxpk= 0, iat= 651, 611, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 ARG HN 37 GLY QA 6.00 (# 5047.1 Unique )
&rst
ixpk= 5047, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 587, 588,
&end
#
# 39 VAL HN 60 ILE MG2 6.00 (# 5055.1 Unique )
&rst
ixpk= 5055, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 918, 919, 920,
&end
#
# 39 VAL HN 35 LEU HG 6.00 (# 5058.1 Unique )
&rst
ixpk= 5058, nxpk= 0, iat= 611, 554, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 VAL HN 47 ALA MB 6.00 (# 5061.1 Unique )
&rst
ixpk= 5061, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 728, 729, 730,
&end
#
# 39 VAL HN 38 LEU HG 6.00 (# 5064.1 Unique )
&rst
ixpk= 5064, nxpk= 0, iat= 611, 599, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 VAL HN 37 GLY QA 6.00 (# 5071.1 Unique )
&rst
ixpk= 5071, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 587, 588,
&end
#
# 39 VAL HN 0 AMB m:5077 5.80 (# 5077.1 Single Ambig [HN 41 HN 36] )
&rst
ixpk= 5077, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 651, 566,
&end
#
# 38 LEU HN 38 LEU QB 2.80 (# 5096.1 Unique )
&rst
ixpk= 5096, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 596, 597,
&end
#
# 38 LEU HN 13 VAL HA 6.00 (# 5100.1 Unique )
&rst
ixpk= 5100, nxpk= 0, iat= 592, 213, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 LEU HN 39 VAL HA 6.00 (# 5103.1 Unique )
&rst
ixpk= 5103, nxpk= 0, iat= 592, 613, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 LEU HN 0 AMB m:5106 5.10 (# 5106.1 Single Ambig [HN 36 HN 41] )
&rst
ixpk= 5106, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 566, 651,
&end
#
# 38 LEU HN 40 ARG HN 5.80 (# 5110.1 Unique )
&rst
ixpk= 5110, nxpk= 0, iat= 592, 627, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 36 LEU HN 36 LEU QB 2.60 (# 5113.1 Unique )
&rst
ixpk= 5113, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 570, 571,
&end
#
# 36 LEU HN 0 AMB m:5117 6.00 (# 5117.1 Single Ambig [QA 37 HA 34] )
&rst
ixpk= 5117, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 587, 588, 530,
&end
#
# 36 LEU HN 0 AMB m:5122 6.00 (# 5122.1 Single Ambig [QA 37 HA 32] )
&rst
ixpk= 5122, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 587, 588, 498,
&end
#
# 36 LEU HN 33 HIS HD2 6.00 (# 5131.1 Unique )
&rst
ixpk= 5131, nxpk= 0, iat= 566, 524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 36 LEU HN 33 HIS HN 6.00 (# 5134.1 Unique )
&rst
ixpk= 5134, nxpk= 0, iat= 566, 511, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 36 LEU HN 34 ILE HN 5.80 (# 5137.1 Unique )
&rst
ixpk= 5137, nxpk= 0, iat= 566, 528, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 121 ALA HN 118 GLY HN 6.00 (# 5143.1 Unique )
&rst
ixpk= 5143, nxpk= 0, iat=1877,1844, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 HIS HN 21 ALA MB 5.60 (# 5149.1 Unique )
&rst
ixpk= 5149, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 336, 337, 338,
&end
#
# 33 HIS HN 0 AMB m:5152 6.00 (# 5152.1 Single Ambig [MD2 36 MD1 36] )
&rst
ixpk= 5152, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 579, 580, 581, 575, 576, 577,
&end
#
# 33 HIS HN 0 AMB m:5158 6.00 (# 5158.1 Single Ambig [MG2 81 HB 29] )
&rst
ixpk= 5158, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1257,1258,1259, 460,
&end
#
# 33 HIS HN 34 ILE QG1 5.80 (# 5170.1 Unique )
&rst
ixpk= 5170, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 538, 539,
&end
#
# 33 HIS HN 34 ILE HB 5.80 (# 5174.1 Unique )
&rst
ixpk= 5174, nxpk= 0, iat= 511, 532, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 33 HIS HN 29 ILE HA 6.00 (# 5181.1 Unique )
&rst
ixpk= 5181, nxpk= 0, iat= 511, 458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 HIS HN 0 AMB m:5187 6.00 (# 5187.1 Single Ambig [HA 31 HA 34] )
&rst
ixpk= 5187, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 484, 530,
&end
#
# 33 HIS HN 31 THR HN 6.00 (# 5191.1 Unique )
&rst
ixpk= 5191, nxpk= 0, iat= 511, 482, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 HIS HN 35 LEU HN 5.00 (# 5194.1 Unique )
&rst
ixpk= 5194, nxpk= 0, iat= 511, 547, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 ILE HN 29 ILE QG1 4.10 (# 5209.1 Unique )
&rst
ixpk= 5209, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 466, 467,
&end
#
# 29 ILE HN 78 ILE HA 6.00 (# 5217.1 Unique )
&rst
ixpk= 5217, nxpk= 0, iat= 456,1196, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 ILE HN 79 HIS HA 6.00 (# 5220.1 Unique )
&rst
ixpk= 5220, nxpk= 0, iat= 456,1215, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 ILE HN 80 TYR QB 6.00 (# 5223.1 Unique )
&rst
ixpk= 5223, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1234,1235,
&end
#
# 29 ILE HN 80 TYR HD 6.00 (# 5227.1 Unique )
&rst
ixpk= 5227, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1238,1247,
&end
#
# 29 ILE HN 28 ASN HN 6.00 (# 5230.1 Unique )
&rst
ixpk= 5230, nxpk= 0, iat= 456, 442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 ASN HN 78 ILE HA 6.00 (# 5254.1 Unique )
&rst
ixpk= 5254, nxpk= 0, iat= 442,1196, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 ASN HN 28 ASN QD2 6.00 (# 5260.1 Unique )
&rst
ixpk= 5260, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 451, 452,
&end
#
# 27 ASN HN 78 ILE MD 6.00 (# 5263.1 Unique )
&rst
ixpk= 5263, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1207,1208,1209,
&end
#
# 27 ASN HN 73 GLU QB 6.00 (# 5269.1 Unique )
&rst
ixpk= 5269, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1124,1125,
&end
#
# 27 ASN HN 28 ASN QB 6.00 (# 5273.1 Unique )
&rst
ixpk= 5273, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 446, 447,
&end
#
# 27 ASN HN 25 GLY QA 6.00 (# 5285.1 Unique )
&rst
ixpk= 5285, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 406, 407,
&end
#
# 27 ASN HN 0 AMB m:5303 6.00 (# 5303.1 Single Ambig [QD2 27 QE2 76] )
&rst
ixpk= 5303, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 437, 438,1175,1176,
&end
#
# 24 LEU HN 23 ARG QB 5.80 (# 5311.1 Unique )
&rst
ixpk= 5311, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 365, 366,
&end
#
# 24 LEU HN 22 LEU HA 6.00 (# 5322.1 Unique )
&rst
ixpk= 5322, nxpk= 0, iat= 385, 344, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 LEU HN 25 GLY QA 6.00 (# 5325.1 Unique )
&rst
ixpk= 5325, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 406, 407,
&end
#
# 24 LEU HN 0 AMB m:5341 5.10 (# 5341.1 Single Ambig [HN 22 HN 21] )
&rst
ixpk= 5341, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 342, 332,
&end
#
# 23 ARG HN 22 LEU MD2 6.00 (# 5345.1 Unique )
&rst
ixpk= 5345, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 355, 356, 357,
&end
#
# 23 ARG HN 22 LEU HG 4.60 (# 5348.1 Unique )
&rst
ixpk= 5348, nxpk= 0, iat= 361, 349, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 23 ARG HN 19 GLU QB 5.20 (# 5351.1 Unique )
&rst
ixpk= 5351, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 306, 307,
&end
#
# 23 ARG HN 22 LEU HA 4.50 (# 5354.1 Unique )
&rst
ixpk= 5354, nxpk= 0, iat= 361, 344, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 ARG HN 21 ALA HA 6.00 (# 5357.1 Unique )
&rst
ixpk= 5357, nxpk= 0, iat= 361, 334, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 ARG HN 23 ARG QB 6.00 (# 5360.1 Unique )
&rst
ixpk= 5360, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 365, 366,
&end
#
# 23 ARG HN 20 GLU HN 6.00 (# 5364.1 Unique )
&rst
ixpk= 5364, nxpk= 0, iat= 361, 317, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 ARG HN 25 GLY HN 5.20 (# 5367.1 Unique )
&rst
ixpk= 5367, nxpk= 0, iat= 361, 404, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 22 LEU HN 23 ARG QB 6.00 (# 5377.1 Unique )
&rst
ixpk= 5377, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 365, 366,
&end
#
# 22 LEU HN 19 GLU QB 6.00 (# 5381.1 Unique; orig = 5.00 )
&rst
ixpk= 5381, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 306, 307,
&end
#
# 22 LEU HN 20 GLU HA 6.00 (# 5384.1 Unique )
&rst
ixpk= 5384, nxpk= 0, iat= 342, 319, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 LEU HN 18 GLN HA 5.80 (# 5387.1 Unique )
&rst
ixpk= 5387, nxpk= 0, iat= 342, 287, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 22 LEU HN 0 AMB m:5390 6.00 (# 5390.1 Single Ambig [QA 25 QB 33] )
&rst
ixpk= 5390, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 406, 407, 515, 516,
&end
#
# 22 LEU HN 20 GLU HN 6.00 (# 5398.1 Unique )
&rst
ixpk= 5398, nxpk= 0, iat= 342, 317, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 LEU HN 24 LEU HN 5.80 (# 5401.1 Unique )
&rst
ixpk= 5401, nxpk= 0, iat= 342, 385, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 22 LEU HN 0 AMB m:5404 5.40 (# 5404.1 Single Ambig [HN 25 HN 19] )
&rst
ixpk= 5404, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 404, 302,
&end
#
# 21 ALA HN 18 GLN HN 6.00 (# 5411.1 Unique )
&rst
ixpk= 5411, nxpk= 0, iat= 332, 285, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 21 ALA HN 24 LEU HN 6.00 (# 5414.1 Unique )
&rst
ixpk= 5414, nxpk= 0, iat= 332, 385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 21 ALA HN 19 GLU HN 5.00 (# 5420.1 Unique )
&rst
ixpk= 5420, nxpk= 0, iat= 332, 302, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 ALA HN 20 GLU HA 4.90 (# 5423.1 Unique )
&rst
ixpk= 5423, nxpk= 0, iat= 332, 319, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 21 ALA HN 17 ALA HA 5.40 (# 5426.1 Unique )
&rst
ixpk= 5426, nxpk= 0, iat= 332, 277, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 21 ALA HN 33 HIS QB 4.90 (# 5432.1 Unique )
&rst
ixpk= 5432, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 515, 516,
&end
#
# 21 ALA HN 22 LEU QB 6.00 (# 5439.1 Unique )
&rst
ixpk= 5439, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 346, 347,
&end
#
# 21 ALA HN 22 LEU HG 6.00 (# 5443.1 Unique )
&rst
ixpk= 5443, nxpk= 0, iat= 332, 349, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 21 ALA HN 0 AMB m:5453 6.00 (# 5453.1 Single Ambig [MD 78 MG2 78] )
&rst
ixpk= 5453, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1207,1208,1209,1200,1201,1202,
&end
#
# 20 GLU HN 21 ALA MB 6.00 (# 5465.1 Unique )
&rst
ixpk= 5465, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 336, 337, 338,
&end
#
# 20 GLU HN 16 LEU QB 6.00 (# 5468.1 Unique )
&rst
ixpk= 5468, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 260, 261,
&end
#
# 20 GLU HN 17 ALA MB 6.00 (# 5472.1 Unique )
&rst
ixpk= 5472, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 279, 280, 281,
&end
#
# 20 GLU HN 40 ARG QB 6.00 (# 5475.1 Unique )
&rst
ixpk= 5475, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 631, 632,
&end
#
# 20 GLU HN 21 ALA HA 6.00 (# 5479.1 Unique )
&rst
ixpk= 5479, nxpk= 0, iat= 317, 334, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 20 GLU HN 37 GLY QA 6.00 (# 5482.1 Unique )
&rst
ixpk= 5482, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 587, 588,
&end
#
# 20 GLU HN 18 GLN HA 6.00 (# 5488.1 Unique )
&rst
ixpk= 5488, nxpk= 0, iat= 317, 287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 20 GLU HN 18 GLN HN 5.80 (# 5497.1 Unique )
&rst
ixpk= 5497, nxpk= 0, iat= 317, 285, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 19 GLU HN 16 LEU QB 6.00 (# 5505.1 Unique )
&rst
ixpk= 5505, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 260, 261,
&end
#
# 19 GLU HN 22 LEU QB 6.00 (# 5512.1 Unique )
&rst
ixpk= 5512, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 346, 347,
&end
#
# 19 GLU HN 20 GLU QG 6.00 (# 5516.1 Unique )
&rst
ixpk= 5516, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 324, 325,
&end
#
# 19 GLU HN 15 ALA HA 6.00 (# 5520.1 Unique )
&rst
ixpk= 5520, nxpk= 0, iat= 302, 248, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 GLU HN 16 LEU HN 6.00 (# 5526.1 Unique )
&rst
ixpk= 5526, nxpk= 0, iat= 302, 256, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 GLU HN 0 AMB m:5529 5.20 (# 5529.1 Single Ambig [HN 21 HN 22] )
&rst
ixpk= 5529, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 332, 342,
&end
#
# 19 GLU HN 18 GLN QE2 6.00 (# 5533.1 Unique )
&rst
ixpk= 5533, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 297, 298,
&end
#
# 18 GLN HN 29 ILE QG1 6.00 (# 5542.1 Unique )
&rst
ixpk= 5542, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 466, 467,
&end
#
# 18 GLN HN 29 ILE MG2 6.00 (# 5546.1 Unique )
&rst
ixpk= 5546, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 462, 463, 464,
&end
#
# 18 GLN HN 15 ALA MB 6.00 (# 5556.1 Unique )
&rst
ixpk= 5556, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 250, 251, 252,
&end
#
# 18 GLN HN 18 GLN QB 3.10 (# 5563.1 Unique )
&rst
ixpk= 5563, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 289, 290,
&end
#
# 18 GLN HN 33 HIS QB 6.00 (# 5571.1 Unique )
&rst
ixpk= 5571, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 515, 516,
&end
#
# 18 GLN HN 19 GLU HA 6.00 (# 5575.1 Unique )
&rst
ixpk= 5575, nxpk= 0, iat= 285, 304, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 GLN HN 16 LEU HN 6.00 (# 5578.1 Unique )
&rst
ixpk= 5578, nxpk= 0, iat= 285, 256, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 ALA HN 34 ILE QG1 6.00 (# 5587.1 Unique )
&rst
ixpk= 5587, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 538, 539,
&end
#
# 17 ALA HN 0 AMB m:5591 6.00 (# 5591.1 Single Ambig [MD2 16 MD1 16] )
&rst
ixpk= 5591, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 17 ALA HN 15 ALA MB 6.00 (# 5597.1 Unique )
&rst
ixpk= 5597, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 250, 251, 252,
&end
#
# 17 ALA HN 16 LEU HG 6.00 (# 5600.1 Unique )
&rst
ixpk= 5600, nxpk= 0, iat= 275, 263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 ALA HN 0 AMB m:5603 6.00 (# 5603.1 Single Ambig [QB 18 QB 20] )
&rst
ixpk= 5603, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 289, 290, 321, 322,
&end
#
# 17 ALA HN 14 LEU HN 6.00 (# 5620.1 Unique )
&rst
ixpk= 5620, nxpk= 0, iat= 275, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 ALA HN 19 GLU HN 5.80 (# 5623.1 Unique )
&rst
ixpk= 5623, nxpk= 0, iat= 275, 302, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 17 ALA HN 15 ALA HN 5.40 (# 5626.1 Unique )
&rst
ixpk= 5626, nxpk= 0, iat= 275, 246, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 16 LEU HN 17 ALA MB 6.00 (# 5629.1 Unique )
&rst
ixpk= 5629, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 279, 280, 281,
&end
#
# 16 LEU HN 41 GLU QB 6.00 (# 5632.1 Unique )
&rst
ixpk= 5632, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 655, 656,
&end
#
# 16 LEU HN 13 VAL HB 6.00 (# 5636.1 Unique )
&rst
ixpk= 5636, nxpk= 0, iat= 256, 215, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 LEU HN 37 GLY QA 6.00 (# 5646.1 Unique )
&rst
ixpk= 5646, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 587, 588,
&end
#
# 16 LEU HN 14 LEU HN 6.00 (# 5652.1 Unique )
&rst
ixpk= 5652, nxpk= 0, iat= 256, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 LEU HN 13 VAL HN 6.00 (# 5655.1 Unique )
&rst
ixpk= 5655, nxpk= 0, iat= 256, 211, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 ALA HN 0 AMB m:5664 6.00 (# 5664.1 Single Ambig [MD2 16 MD1 16] )
&rst
ixpk= 5664, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 15 ALA HN 17 ALA MB 5.60 (# 5674.1 Unique )
&rst
ixpk= 5674, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 279, 280, 281,
&end
#
# 15 ALA HN 13 VAL HA 6.00 (# 5684.1 Unique )
&rst
ixpk= 5684, nxpk= 0, iat= 246, 213, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 ALA HN 11 GLN HA 6.00 (# 5687.1 Unique )
&rst
ixpk= 5687, nxpk= 0, iat= 246, 174, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 ALA HN 13 VAL HN 5.40 (# 5693.1 Unique )
&rst
ixpk= 5693, nxpk= 0, iat= 246, 211, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 15 ALA HN 18 GLN HN 6.00 (# 5696.1 Unique )
&rst
ixpk= 5696, nxpk= 0, iat= 246, 285, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 LEU HN 12 LYS QB 6.00 (# 5705.1 Unique )
&rst
ixpk= 5705, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 193, 194,
&end
#
# 14 LEU HN 12 LYS HA 5.20 (# 5712.1 Unique )
&rst
ixpk= 5712, nxpk= 0, iat= 227, 191, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 11 GLN HN 105 THR MG2 6.00 (# 5718.1 Unique )
&rst
ixpk= 5718, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1641,1642,1643,
&end
#
# 11 GLN HN 9 ARG QB 6.00 (# 5721.1 Unique )
&rst
ixpk= 5721, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 142, 143,
&end
#
# 11 GLN HN 12 LYS HA 6.00 (# 5729.1 Unique )
&rst
ixpk= 5729, nxpk= 0, iat= 172, 191, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 GLN HN 9 ARG HA 6.00 (# 5732.1 Unique )
&rst
ixpk= 5732, nxpk= 0, iat= 172, 140, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 GLN HN 7 THR HA 6.00 (# 5735.1 Unique )
&rst
ixpk= 5735, nxpk= 0, iat= 172, 111, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 GLN HN 7 THR HG1 6.00 (# 5738.1 Unique )
&rst
ixpk= 5738, nxpk= 0, iat= 172, 119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 GLN HN 6 PHE HA 6.00 (# 5741.1 Unique )
&rst
ixpk= 5741, nxpk= 0, iat= 172, 91, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 GLN HN 7 THR HN 6.00 (# 5744.1 Unique )
&rst
ixpk= 5744, nxpk= 0, iat= 172, 109, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 GLN HN 6 PHE HD 6.00 (# 5747.1 Unique )
&rst
ixpk= 5747, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 97, 105,
&end
#
# 11 GLN HN 11 GLN QE2 6.00 (# 5750.1 Unique )
&rst
ixpk= 5750, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 184, 185,
&end
#
# 10 ALA HN 13 VAL MG1 6.00 (# 5753.1 Unique )
&rst
ixpk= 5753, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 217, 218, 219,
&end
#
# 10 ALA HN 9 ARG QB 5.20 (# 5762.1 Unique )
&rst
ixpk= 5762, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 142, 143,
&end
#
# 10 ALA HN 11 GLN QB 6.00 (# 5766.1 Unique )
&rst
ixpk= 5766, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 176, 177,
&end
#
# 10 ALA HN 104 GLY QA 6.00 (# 5774.1 Unique )
&rst
ixpk= 5774, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1630,1631,
&end
#
# 10 ALA HN 7 THR HA 6.00 (# 5781.1 Unique )
&rst
ixpk= 5781, nxpk= 0, iat= 162, 111, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 ALA HN 0 AMB m:5790 6.00 (# 5790.1 Single Ambig [QB 9 QB 6] )
&rst
ixpk= 5790, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 142, 143, 93, 94,
&end
#
# 10 ALA HN 6 PHE QB 6.00 (# 5795.1 Unique )
&rst
ixpk= 5795, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 93, 94,
&end
#
# 10 ALA HN 8 GLU HN 6.00 (# 5799.1 Unique )
&rst
ixpk= 5799, nxpk= 0, iat= 162, 123, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 ALA HN 105 THR HN 6.00 (# 5802.1 Unique )
&rst
ixpk= 5802, nxpk= 0, iat= 162,1635, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 ALA HN 6 PHE HD 6.00 (# 5805.1 Unique )
&rst
ixpk= 5805, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 97, 105,
&end
#
# 9 ARG HN 7 THR HG1 5.60 (# 5815.1 Unique )
&rst
ixpk= 5815, nxpk= 0, iat= 138, 119, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 9 ARG HN 7 THR HA 6.00 (# 5818.1 Unique )
&rst
ixpk= 5818, nxpk= 0, iat= 138, 111, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 ARG HN 9 ARG HA 3.90 (# 5821.1 Unique )
&rst
ixpk= 5821, nxpk= 0, iat= 138, 140, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 9 ARG HN 0 AMB m:5824 5.20 (# 5824.1 Single Ambig [HA 8 QA 104] )
&rst
ixpk= 5824, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 125,1630,1631,
&end
#
# 9 ARG HN 10 ALA HA 6.00 (# 5828.1 Unique )
&rst
ixpk= 5828, nxpk= 0, iat= 138, 164, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 GLU HN 9 ARG QB 6.00 (# 5848.1 Unique )
&rst
ixpk= 5848, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 142, 143,
&end
#
# 8 GLU HN 7 THR HG1 6.00 (# 5856.1 Unique )
&rst
ixpk= 5856, nxpk= 0, iat= 123, 119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 GLU HN 11 GLN HN 6.00 (# 5859.1 Unique )
&rst
ixpk= 5859, nxpk= 0, iat= 123, 172, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 PHE HN 7 THR MG2 6.00 (# 5865.1 Unique )
&rst
ixpk= 5865, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 115, 116, 117,
&end
#
# 6 PHE HN 5 ARG QB 5.80 (# 5872.1 Unique )
&rst
ixpk= 5872, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 69, 70,
&end
#
# 6 PHE HN 11 GLN QB 6.00 (# 5876.1 Unique )
&rst
ixpk= 5876, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 176, 177,
&end
#
# 6 PHE HN 6 PHE HE 6.00 (# 5890.1 Unique )
&rst
ixpk= 5890, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 99, 103,
&end
#
# 5 ARG HN 6 PHE HD 5.10 (# 5900.1 Unique )
&rst
ixpk= 5900, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 97, 105,
&end
#
# 5 ARG HN 3 PHE HD 6.00 (# 5903.1 Unique )
&rst
ixpk= 5903, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 46, 54,
&end
#
# 3 PHE HN 2 MET HN 5.60 (# 5906.1 Unique )
&rst
ixpk= 5906, nxpk= 0, iat= 38, 21, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 3 PHE HN 3 PHE HE 6.00 (# 5909.1 Unique )
&rst
ixpk= 5909, nxpk= 0, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 48, 52,
&end
#
# 2 MET HN 2 MET QB 6.00 (# 5915.1 Unique )
&rst
ixpk= 5915, nxpk= 0, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 25, 26,
&end
#
# 12 LYS HN 0 AMB m:5919 3.30 (# 5919.1 Single Ambig [HN 13 HN 10] )
&rst
ixpk= 5919, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 211, 162,
&end
#
# 13 VAL HN 41 GLU QB 6.00 (# 5927.1 Unique )
&rst
ixpk= 5927, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 655, 656,
&end
#
# 13 VAL HN 9 ARG HA 5.10 (# 5931.1 Unique )
&rst
ixpk= 5931, nxpk= 0, iat= 211, 140, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 13 VAL HN 14 LEU HN 3.10 (# 5934.1 Unique )
&rst
ixpk= 5934, nxpk= 0, iat= 211, 227, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 13 VAL HN 10 ALA MB 6.00 (# 5940.1 Unique )
&rst
ixpk= 5940, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
&end
#
# 13 VAL HN 12 LYS HA 4.10 (# 5943.1 Unique )
&rst
ixpk= 5943, nxpk= 0, iat= 211, 191, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 41 GLU HN 0 AMB m:5946 4.80 (# 5946.1 Single Ambig [HA 38 HA 40] )
&rst
ixpk= 5946, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 594, 629,
&end
#
# 43 GLU HN 44 GLY QA 6.00 (# 5960.1 Unique )
&rst
ixpk= 5960, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 690, 691,
&end
#
# 48 LYS HN 46 ALA HA 6.00 (# 5967.1 Unique )
&rst
ixpk= 5967, nxpk= 0, iat= 734, 716, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 50 LEU HN 46 ALA HA 5.80 (# 5980.1 Unique )
&rst
ixpk= 5980, nxpk= 0, iat= 766, 716, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 50 LEU HN 53 LEU HN 6.00 (# 5989.1 Unique )
&rst
ixpk= 5989, nxpk= 0, iat= 766, 812, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 50 LEU HN 52 ALA HN 5.80 (# 5992.1 Unique )
&rst
ixpk= 5992, nxpk= 0, iat= 766, 802, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 89 GLU HN 87 VAL HB 6.00 (# 5998.1 Unique )
&rst
ixpk= 5998, nxpk= 0, iat=1392,1361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 91 SER HN 92 MET QB 6.00 (# 6004.1 Unique )
&rst
ixpk= 6004, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1441,1442,
&end
#
# 91 SER HN 103 VAL MG1 6.00 (# 6008.1 Unique )
&rst
ixpk= 6008, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1618,1619,1620,
&end
#
# 91 SER HN 0 AMB m:6011 6.00 (# 6011.1 Single Ambig [QB 93 QB 92] )
&rst
ixpk= 6011, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1458,1459,1441,1442,
&end
#
# 91 SER HN 108 ILE HA 6.00 (# 6016.1 Unique )
&rst
ixpk= 6016, nxpk= 0, iat=1426,1683, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 91 SER HN 111 GLY QA 5.20 (# 6019.1 Unique )
&rst
ixpk= 6019, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1740,1741,
&end
#
# 91 SER HN 89 GLU HN 5.80 (# 6026.1 Unique )
&rst
ixpk= 6026, nxpk= 0, iat=1426,1392, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 91 SER HN 93 ASP HN 5.60 (# 6029.1 Unique )
&rst
ixpk= 6029, nxpk= 0, iat=1426,1454, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 93 ASP HN 90 LEU QB 6.00 (# 6032.1 Unique )
&rst
ixpk= 6032, nxpk= 0, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1411,1412,
&end
#
# 93 ASP HN 92 MET QB 6.00 (# 6036.1 Unique )
&rst
ixpk= 6036, nxpk= 0, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1441,1442,
&end
#
# 93 ASP HN 91 SER QB 6.00 (# 6040.1 Unique )
&rst
ixpk= 6040, nxpk= 0, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1430,1431,
&end
#
# 95 ALA HN 103 VAL MG1 5.40 (# 6055.1 Unique )
&rst
ixpk= 6055, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1618,1619,1620,
&end
#
# 0 AMB m:6058 103 VAL MG2 6.00 (# 6058.1 Single Ambig [HN 95 HN 93] )
&rst
ixpk= 6058, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1481,1454,
igr2=1622,1623,1624,
&end
#
# 95 ALA HN 97 LYS HN 6.00 (# 6065.1 Unique )
&rst
ixpk= 6065, nxpk= 0, iat=1481,1515, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 95 ALA HN 94 GLU HN 3.10 (# 6068.1 Unique )
&rst
ixpk= 6068, nxpk= 0, iat=1481,1466, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 95 ALA HN 0 AMB m:6071 6.00 (# 6071.1 Single Ambig [HN 98 HN 92]; orig = 4.30 )
&rst
ixpk= 6071, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1537,1437,
&end
#
# 113 ILE HN 109 LEU QB 6.00 (# 6079.1 Unique )
&rst
ixpk= 6079, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1704,1705,
&end
#
# 113 ILE HN 0 AMB m:6083 6.00 (# 6083.1 Single Ambig [QA 111 HA 121] )
&rst
ixpk= 6083, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1740,1741,1879,
&end
#
# 131 LEU HN 113 ILE MD 6.00 (# 6094.1 Unique )
&rst
ixpk= 6094, nxpk= 0, iat=2027, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1777,1778,1779,
&end
#
# 131 LEU HN 129 VAL MG1 6.00 (# 6097.1 Unique )
&rst
ixpk= 6097, nxpk= 0, iat=2027, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2006,2007,2008,
&end
#
# 131 LEU HN 132 ASN QB 6.00 (# 6100.1 Unique )
&rst
ixpk= 6100, nxpk= 0, iat=2027, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2050,2051,
&end
#
# 131 LEU HN 133 LYS HN 6.00 (# 6104.1 Unique )
&rst
ixpk= 6104, nxpk= 0, iat=2027,2060, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 131 LEU HN 125 ASN QD2 6.00 (# 6107.1 Unique )
&rst
ixpk= 6107, nxpk= 0, iat=2027, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1955,1956,
&end
#
# 131 LEU HN 134 ALA HN 6.00 (# 6110.1 Unique )
&rst
ixpk= 6110, nxpk= 0, iat=2027,2082, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 GLU HN 113 ILE HN 5.80 (# 6117.1 Unique )
&rst
ixpk= 6117, nxpk= 0, iat=1807,1764, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 114 ARG HN 113 ILE HB 3.50 (# 6135.1 Unique )
&rst
ixpk= 6135, nxpk= 0, iat=1783,1768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 LEU HN 110 LEU QB 6.00 (# 6138.1 Unique )
&rst
ixpk= 6138, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1723,1724,
&end
#
# 112 LEU HN 90 LEU QB 6.00 (# 6142.1 Unique )
&rst
ixpk= 6142, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1411,1412,
&end
#
# 112 LEU HN 108 ILE HA 5.60 (# 6146.1 Unique )
&rst
ixpk= 6146, nxpk= 0, iat=1745,1683, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 112 LEU HN 87 VAL HA 6.00 (# 6149.1 Unique )
&rst
ixpk= 6149, nxpk= 0, iat=1745,1359, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 112 LEU HN 91 SER HG 6.00 (# 6152.1 Unique )
&rst
ixpk= 6152, nxpk= 0, iat=1745,1433, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 112 LEU HN 109 LEU HN 6.00 (# 6155.1 Unique )
&rst
ixpk= 6155, nxpk= 0, iat=1745,1700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 112 LEU HN 115 GLU HN 6.00 (# 6158.1 Unique )
&rst
ixpk= 6158, nxpk= 0, iat=1745,1807, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 ARG HE 0 AMB m:6161 5.40 (# 6161.1 Single Ambig [MD1 16 MD2 16] )
&rst
ixpk= 6161, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2= 265, 266, 267, 269, 270, 271,
&end
#
# 40 ARG HE 40 ARG QB 4.30 (# 6166.1 Unique )
&rst
ixpk= 6166, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 631, 632,
&end
#
# 96 ARG HE 96 ARG QB 5.60 (# 6170.1 Unique )
&rst
ixpk= 6170, nxpk= 0, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1495,1496,
&end
#
# 28 ASN QD2 28 ASN HA 6.00 (# 6183.1 Unique )
&rst
ixpk= 6183, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 451, 452,
&end
#
# 136 GLN QE2 135 ARG QB 6.00 (# 6201.1 Unique )
&rst
ixpk= 6201, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2128,2129,
igr2=2096,2097,
&end
#
# 51 GLN QE2 51 GLN QB 6.00 (# 6213.1 Unique )
&rst
ixpk= 6213, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 797, 798,
igr2= 789, 790,
&end
#
# 18 GLN QE2 0 AMB m:6223 6.00 (# 6223.1 Single Ambig [MD 78 MG2 78] )
&rst
ixpk= 6223, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 297, 298,
igr2=1207,1208,1209,1200,1201,1202,
&end
#
# 107 HIS HN 104 GLY HN 5.20 (# 6237.1 Unique )
&rst
ixpk= 6237, nxpk= 0, iat=1664,1628, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 7 THR HN 104 GLY HN 6.00 (# 6240.1 Unique )
&rst
ixpk= 6240, nxpk= 0, iat= 109,1628, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 GLN QE2 29 ILE MD 6.00 (# 6243.1 Unique )
&rst
ixpk= 6243, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 297, 298,
igr2= 469, 470, 471,
&end
#
# 0 AMB m:6249a 0 AMB m:6249b 6.00 (# 6249.1 Double Ambig [QE2 76 QE2 72] [QB 74 QB 72 QB 76] )
&rst
ixpk= 6249, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1175,1176,1115,1116,
igr2=1139,1140,1107,1108,1167,1168,
&end
#
# 122 ARG HE 122 ARG QB 5.40 (# 6268.1 Unique )
&rst
ixpk= 6268, nxpk= 0, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1891,1892,
&end
#
# 122 ARG HE 122 ARG QB 5.40 (# 6273.1 Unique )
&rst
ixpk= 6273, nxpk= 0, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1891,1892,
&end
#
# 9 ARG HN 8 GLU QB 4.10 (# 6277.1 Unique )
&rst
ixpk= 6277, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 127, 128,
&end
#
# 12 LYS HN 10 ALA MB 6.00 (# 6285.1 Unique )
&rst
ixpk= 6285, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
&end
#
# 13 VAL HN 12 LYS QB 3.00 (# 6288.1 Unique )
&rst
ixpk= 6288, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 193, 194,
&end
#
# 107 HIS HN 107 HIS HD2 6.00 (# 6292.1 Unique )
&rst
ixpk= 6292, nxpk= 0, iat=1664,1677, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 51 GLN HN 0 AMB m:6295 4.50 (# 6295.1 Single Ambig [HA 47 HA 49] )
&rst
ixpk= 6295, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 726, 758,
&end
#
# 27 ASN QD2 0 AMB m:6311 6.00 (# 6311.1 Single Ambig [HA 73 HA 77] )
&rst
ixpk= 6311, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 437, 438,
igr2=1122,1182,
&end
#
# 27 ASN QD2 27 ASN HN 6.00 (# 6321.1 Unique )
&rst
ixpk= 6321, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 437, 438,
&end
#
# 27 ASN QD2 0 AMB m:6330 6.00 (# 6330.1 Single Ambig [QB 73 QB 74] )
&rst
ixpk= 6330, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 437, 438,
igr2=1124,1125,1139,1140,
&end
#
# 27 ASN QD2 74 MET QB 6.00 (# 6335.1 Unique )
&rst
ixpk= 6335, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 437, 438,
igr2=1139,1140,
&end
#
# 27 ASN QD2 27 ASN HN 6.00 (# 6346.1 Unique )
&rst
ixpk= 6346, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 437, 438,
&end
#
# 28 ASN QD2 28 ASN HA 5.40 (# 6353.1 Unique )
&rst
ixpk= 6353, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 451, 452,
&end
#
# 28 ASN QD2 27 ASN QB 6.00 (# 6359.1 Unique )
&rst
ixpk= 6359, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 451, 452,
igr2= 432, 433,
&end
#
# 28 ASN QD2 79 HIS QB 6.00 (# 6363.1 Unique; orig = 4.90 )
&rst
ixpk= 6363, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 451, 452,
igr2=1217,1218,
&end
#
# 125 ASN QD2 0 AMB m:6370 6.00 (# 6370.1 Single Ambig [MD1 124 MD2 124] )
&rst
ixpk= 6370, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1955,1956,
igr2=1936,1937,1938,1940,1941,1942,
&end
#
# 125 ASN QD2 113 ILE MG2 5.80 (# 6374.1 Unique )
&rst
ixpk= 6374, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1955,1956,
igr2=1770,1771,1772,
&end
#
# 125 ASN QD2 122 ARG HA 6.00 (# 6390.1 Unique )
&rst
ixpk= 6390, nxpk= 0, iat= -1,1889, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1955,1956,
&end
#
# 125 ASN QD2 131 LEU HN 6.00 (# 6399.1 Unique )
&rst
ixpk= 6399, nxpk= 0, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1955,1956,
&end
#
# 125 ASN QD2 126 ASN HN 6.00 (# 6402.1 Unique )
&rst
ixpk= 6402, nxpk= 0, iat= -1,1960, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1955,1956,
&end
#
# 125 ASN QD2 0 AMB m:6405 6.00 (# 6405.1 Single Ambig [MD1 124 MD2 124] )
&rst
ixpk= 6405, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1955,1956,
igr2=1936,1937,1938,1940,1941,1942,
&end
#
# 125 ASN QD2 0 AMB m:6412 6.00 (# 6412.1 Single Ambig [MG1 129 MG2 129] )
&rst
ixpk= 6412, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1955,1956,
igr2=2006,2007,2008,2010,2011,2012,
&end
#
# 125 ASN QD2 131 LEU HG 5.60 (# 6419.1 Unique )
&rst
ixpk= 6419, nxpk= 0, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1955,1956,
&end
#
# 125 ASN QD2 124 LEU QB 6.00 (# 6422.1 Unique )
&rst
ixpk= 6422, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1955,1956,
igr2=1931,1932,
&end
#
# 125 ASN QD2 130 SER QB 6.00 (# 6432.1 Unique )
&rst
ixpk= 6432, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1955,1956,
igr2=2020,2021,
&end
#
# 126 ASN QD2 0 AMB m:6439 6.00 (# 6439.1 Single Ambig [QB 63 HB 123] )
&rst
ixpk= 6439, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1969,1970,
igr2= 974, 975,1915,
&end
#
# 126 ASN QD2 63 GLU QG 6.00 (# 6444.1 Unique )
&rst
ixpk= 6444, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1969,1970,
igr2= 977, 978,
&end
#
# 126 ASN QD2 126 ASN HA 6.00 (# 6451.1 Unique )
&rst
ixpk= 6451, nxpk= 0, iat= -1,1962, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1969,1970,
&end
#
# 126 ASN QD2 122 ARG QB 5.60 (# 6457.1 Unique )
&rst
ixpk= 6457, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1969,1970,
igr2=1891,1892,
&end
#
# 126 ASN QD2 126 ASN HA 6.00 (# 6464.1 Unique )
&rst
ixpk= 6464, nxpk= 0, iat= -1,1962, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1969,1970,
&end
#
# 132 ASN QD2 132 ASN HA 6.00 (# 6470.1 Unique )
&rst
ixpk= 6470, nxpk= 0, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2055,2056,
&end
#
# 132 ASN QD2 132 ASN HN 5.00 (# 6473.1 Unique )
&rst
ixpk= 6473, nxpk= 0, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2055,2056,
&end
#
# 132 ASN QD2 132 ASN HN 6.00 (# 6476.1 Unique )
&rst
ixpk= 6476, nxpk= 0, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2055,2056,
&end
#
# 132 ASN QD2 132 ASN HA 6.00 (# 6479.1 Unique )
&rst
ixpk= 6479, nxpk= 0, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2055,2056,
&end
#
# 145 ASN QD2 145 ASN QB 5.80 (# 6482.1 Unique )
&rst
ixpk= 6482, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1=2267,2268,
igr2=2262,2263,
&end
#
# 11 GLN QE2 6 PHE QB 4.60 (# 6493.1 Unique )
&rst
ixpk= 6493, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 184, 185,
igr2= 93, 94,
&end
#
# 11 GLN QE2 8 GLU HN 6.00 (# 6507.1 Unique )
&rst
ixpk= 6507, nxpk= 0, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 184, 185,
&end
#
# 11 GLN QE2 6 PHE HN 6.00 (# 6510.1 Unique )
&rst
ixpk= 6510, nxpk= 0, iat= -1, 89, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 184, 185,
&end
#
# 11 GLN QE2 11 GLN QB 6.00 (# 6517.1 Unique )
&rst
ixpk= 6517, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 184, 185,
igr2= 176, 177,
&end
#
# 11 GLN QE2 0 AMB m:6522 6.00 (# 6522.1 Single Ambig [HA 7 HA 5] )
&rst
ixpk= 6522, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 184, 185,
igr2= 111, 67,
&end
#
# 11 GLN QE2 8 GLU HA 6.00 (# 6526.1 Unique )
&rst
ixpk= 6526, nxpk= 0, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 184, 185,
&end
#
# 11 GLN QE2 6 PHE QB 6.00 (# 6532.1 Unique )
&rst
ixpk= 6532, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 184, 185,
igr2= 93, 94,
&end
#
# 18 GLN QE2 0 AMB m:6536 5.00 (# 6536.1 Single Ambig [MD 78 MG2 78] )
&rst
ixpk= 6536, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 297, 298,
igr2=1207,1208,1209,1200,1201,1202,
&end
#
# 18 GLN QE2 78 ILE QG1 6.00 (# 6540.1 Unique )
&rst
ixpk= 6540, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 297, 298,
igr2=1204,1205,
&end
#
# 18 GLN QE2 22 LEU HG 6.00 (# 6544.1 Unique )
&rst
ixpk= 6544, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 297, 298,
&end
#
# 18 GLN QE2 18 GLN QB 4.50 (# 6547.1 Unique; orig = 3.10 )
&rst
ixpk= 6547, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 297, 298,
igr2= 289, 290,
&end
#
# 140 GLN QE2 141 LEU QB 6.00 (# 6563.1 Unique; orig = 5.30 )
&rst
ixpk= 6563, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2197,2198,
igr2=2206,2207,
&end
#
# 140 GLN QE2 0 AMB m:6567 5.20 (# 6567.1 Single Ambig [QB 137 QB 140] )
&rst
ixpk= 6567, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1=2197,2198,
igr2=2137,2138,2189,2190,
&end
#
# 140 GLN QE2 137 GLN HA 3.80 (# 6573.1 Unique )
&rst
ixpk= 6573, nxpk= 0, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=2197,2198,
&end
#
# 61 GLN QE2 64 VAL MG2 6.00 (# 6579.1 Unique; orig = 4.00 )
&rst
ixpk= 6579, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 943, 944,
igr2= 995, 996, 997,
&end
#
# 61 GLN QE2 36 LEU QB 6.00 (# 6585.1 Unique )
&rst
ixpk= 6585, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 943, 944,
igr2= 570, 571,
&end
#
# 72 GLN QE2 0 AMB m:6608 6.00 (# 6608.1 Single Ambig [MD2 24 MD1 24]; orig = 4.70 )
&rst
ixpk= 6608, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1115,1116,
igr2= 398, 399, 400, 394, 395, 396,
&end
#
# 76 GLN QE2 78 ILE MD 6.00 (# 6612.1 Unique )
&rst
ixpk= 6612, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1175,1176,
igr2=1207,1208,1209,
&end
#
# 76 GLN QE2 22 LEU MD2 6.00 (# 6615.1 Unique )
&rst
ixpk= 6615, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1175,1176,
igr2= 355, 356, 357,
&end
#
# 76 GLN QE2 0 AMB m:6618 6.00 (# 6618.1 Single Ambig [QB 76 QB 74] )
&rst
ixpk= 6618, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1175,1176,
igr2=1167,1168,1139,1140,
&end
#
# 76 GLN QE2 76 GLN QB 6.00 (# 6623.1 Unique )
&rst
ixpk= 6623, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1175,1176,
igr2=1167,1168,
&end
#
# 76 GLN QE2 76 GLN HA 6.00 (# 6627.1 Unique )
&rst
ixpk= 6627, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1175,1176,
&end
#
# 136 GLN QE2 132 ASN QB 6.00 (# 6640.1 Unique )
&rst
ixpk= 6640, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2128,2129,
igr2=2050,2051,
&end
#
# 137 GLN QE2 141 LEU QB 6.00 (# 6667.1 Unique )
&rst
ixpk= 6667, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2145,2146,
igr2=2206,2207,
&end
#
# 137 GLN QE2 140 GLN QB 6.00 (# 6671.1 Unique )
&rst
ixpk= 6671, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2145,2146,
igr2=2189,2190,
&end
#
# 137 GLN QE2 138 VAL HA 6.00 (# 6675.1 Unique )
&rst
ixpk= 6675, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2145,2146,
&end
#
# 140 GLN QE2 136 GLN HA 6.00 (# 6684.1 Unique; orig = 4.30 )
&rst
ixpk= 6684, nxpk= 0, iat= -1,2118, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2197,2198,
&end
#
# 107 HIS HN 105 THR HN 6.00 (# 6690.1 Unique )
&rst
ixpk= 6690, nxpk= 0, iat=1664,1635, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 135 ARG HE 113 ILE MG2 6.00 (# 6693.1 Unique; orig = 4.50 )
&rst
ixpk= 6693, nxpk= 0, iat=2105, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1770,1771,1772,
&end
#
# 9 ARG HE 9 ARG QB 6.00 (# 6699.1 Unique )
&rst
ixpk= 6699, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 142, 143,
&end
#
# 9 ARG HE 9 ARG QB 6.00 (# 6703.1 Unique )
&rst
ixpk= 6703, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 142, 143,
&end
#
# 83 ARG HE 83 ARG QB 6.00 (# 6707.1 Unique )
&rst
ixpk= 6707, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1283,1284,
&end
#
# 114 ARG HE 114 ARG QB 6.00 (# 6711.1 Unique )
&rst
ixpk= 6711, nxpk= 0, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1787,1788,
&end
#
# 114 ARG HE 114 ARG QB 6.00 (# 6715.1 Unique )
&rst
ixpk= 6715, nxpk= 0, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1787,1788,
&end
#
# 114 ARG HE 90 LEU MD2 6.00 (# 6722.1 Unique )
&rst
ixpk= 6722, nxpk= 0, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1420,1421,1422,
&end
#
# 122 ARG HE 122 ARG HA 6.00 (# 6725.1 Unique )
&rst
ixpk= 6725, nxpk= 0, iat=1900,1889, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 83 ARG HE 83 ARG QB 6.00 (# 6731.1 Unique )
&rst
ixpk= 6731, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1283,1284,
&end
#
# 83 ARG HE 83 ARG QB 6.00 (# 6736.1 Unique )
&rst
ixpk= 6736, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1283,1284,
&end
#
# 70 ARG HE 70 ARG QB 6.00 (# 6743.1 Unique )
&rst
ixpk= 6743, nxpk= 0, iat=1085, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1076,1077,
&end
#
# 40 ARG HE 40 ARG QB 4.70 (# 6747.1 Unique )
&rst
ixpk= 6747, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 631, 632,
&end
#
# 40 ARG HE 40 ARG QB 4.50 (# 6751.1 Unique )
&rst
ixpk= 6751, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 631, 632,
&end
#
# 23 ARG HE 23 ARG QB 6.00 (# 6759.1 Unique )
&rst
ixpk= 6759, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 365, 366,
&end
#
# 9 ARG HE 9 ARG QB 5.80 (# 6770.1 Unique )
&rst
ixpk= 6770, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 142, 143,
&end
#
# 5 ARG HN 102 TYR HA 6.00 (# 6774.1 Unique )
&rst
ixpk= 6774, nxpk= 0, iat= 65,1593, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 GLN QE2 8 GLU HN 6.00 (# 6783.1 Unique )
&rst
ixpk= 6783, nxpk= 0, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 184, 185,
&end
#
# 11 GLN QE2 5 ARG QB 6.00 (# 6792.1 Unique )
&rst
ixpk= 6792, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 184, 185,
igr2= 69, 70,
&end
#
# 78 ILE HN 77 THR HA 2.50 (# 6799.1 Unique )
&rst
ixpk= 6799, nxpk= 0, iat=1194,1182, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB m:6806a 0 AMB m:6806b 4.60 (# 6806.1 Double Ambig [HN 55 HN 117 HN 12] [QB 53 QB 50 HG 53 QB 115 QB 41 QB 14] )
&rst
ixpk= 6806, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
igr1= 838,1829, 189,
igr2= 816, 817, 770, 771, 819,1811,1812, 655, 656, 231,
232,
&end
#
# 41 GLU HN 0 AMB m:6814 4.30 (# 6814.1 Single Ambig [MD1 16 MD2 38] )
&rst
ixpk= 6814, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 265, 266, 267, 605, 606, 607,
&end
#
# 115 GLU HN 0 AMB m:6818 3.80 (# 6818.1 Single Ambig [MD1 90 MG1 87] )
&rst
ixpk= 6818, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1416,1417,1418,1363,1364,1365,
&end
#
# 20 GLU HN 20 GLU QG 3.10 (# 6822.1 Unique )
&rst
ixpk= 6822, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 324, 325,
&end
#
# 20 GLU HN 20 GLU QG 4.80 (# 6825.1 Unique )
&rst
ixpk= 6825, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 324, 325,
&end
#
# 63 GLU HN 0 AMB m:6828 5.60 (# 6828.1 Single Ambig [MG1 123 MD2 127 MD1 67 MD1 36] )
&rst
ixpk= 6828, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr2=1917,1918,1919,1987,1988,1989,1036,1037,1038, 575,
576, 577,
&end
#
# 35 LEU HN 0 AMB m:6834 5.10 (# 6834.1 Single Ambig [HG 112 QB 32 QG 32 HB 119] )
&rst
ixpk= 6834, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr2=1752, 500, 501, 503, 504,1855,
&end
#
# 141 LEU HN 141 LEU HG 6.00 (# 6840.1 Unique; orig = 4.10 )
&rst
ixpk= 6840, nxpk= 0, iat=2202,2209, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 102 TYR HN 100 HIS QB 4.90 (# 6846.1 Unique )
&rst
ixpk= 6846, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1567,1568,
&end
#
# 45 ILE HN 45 ILE HB 3.60 (# 6852.1 Unique )
&rst
ixpk= 6852, nxpk= 0, iat= 695, 699, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 53 LEU HN 0 AMB m:6855 2.60 (# 6855.1 Single Ambig [HG 53 QB 53] )
&rst
ixpk= 6855, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 819, 816, 817,
&end
#
# 36 LEU HN 0 AMB m:6859 4.80 (# 6859.1 Single Ambig [MD1 112 MG1 64 MD2 35 MG2 34 MD 68] )
&rst
ixpk= 6859, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr2=1754,1755,1756, 991, 992, 993, 560, 561, 562, 534,
535, 536,1059,1060,1061,
&end
#
# 137 GLN QE2 0 AMB m:6882 5.20 (# 6882.1 Single Ambig [HG 141 QB 48] )
&rst
ixpk= 6882, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=2145,2146,
igr2=2209, 738, 739,
&end
#
# 137 GLN QE2 141 LEU QB 4.70 (# 6889.1 Unique )
&rst
ixpk= 6889, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=2145,2146,
igr2=2206,2207,
&end
#
# 37 GLY HN 0 AMB m:6896 5.40 (# 6896.1 Single Ambig [MD2 36 MD1 36 MG2 13 MD1 16 MD1 38] )
&rst
ixpk= 6896, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 8.48, r4= 8.98,
igr2= 579, 580, 581, 575, 576, 577, 221, 222, 223, 265,
266, 267, 601, 602, 603,
&end
#
# 6 PHE HN 5 ARG HN 4.50 (# 6903.1 Unique; orig = 3.80 )
&rst
ixpk= 6903, nxpk= 0, iat= 89, 65, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 GLY HN 0 AMB m:6912 6.00 (# 6912.1 Single Ambig [MD 60 MD1 127] )
&rst
ixpk= 6912, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 925, 926, 927,1983,1984,1985,
&end
#
# 42 GLY HN 47 ALA MB 6.00 (# 6916.1 Unique )
&rst
ixpk= 6916, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 728, 729, 730,
&end
#
# 37 GLY HN 0 AMB m:6919 5.80 (# 6919.1 Single Ambig [MG2 34 MG1 64 MD2 14 MD1 112 MG2 60 MD2 35 MD 34] )
&rst
ixpk= 6919, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
igr2= 534, 535, 536, 991, 992, 993, 240, 241, 242,1754,
1755,1756, 918, 919, 920, 560, 561, 562, 541, 542,
543,
&end
#
# 54 GLY HN 0 AMB m:6928 6.00 (# 6928.1 Single Ambig [MD2 55 MD1 53 MD1 55] )
&rst
ixpk= 6928, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 851, 852, 853, 821, 822, 823, 847, 848, 849,
&end
#
# 54 GLY HN 53 LEU MD2 6.00 (# 6933.1 Unique )
&rst
ixpk= 6933, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 825, 826, 827,
&end
#
# 69 GLY HN 0 AMB m:6936 6.00 (# 6936.1 Single Ambig [MD 68 MG1 119 MG1 64] )
&rst
ixpk= 6936, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2=1059,1060,1061,1857,1858,1859, 991, 992, 993,
&end
#
# 69 GLY HN 68 ILE QG1 4.30 (# 6945.1 Unique )
&rst
ixpk= 6945, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1056,1057,
&end
#
# 111 GLY HN 110 LEU MD1 6.00 (# 6951.1 Unique )
&rst
ixpk= 6951, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1728,1729,1730,
&end
#
# 116 GLY HN 0 AMB m:6957 6.00 (# 6957.1 Single Ambig [MD2 112 MG2 113] )
&rst
ixpk= 6957, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1758,1759,1760,1770,1771,1772,
&end
#
# 128 GLY HN 126 ASN QB 6.00 (# 6966.1 Unique )
&rst
ixpk= 6966, nxpk= 0, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1964,1965,
&end
#
# 7 THR HN 0 AMB m:6977 6.00 (# 6977.1 Single Ambig [MG1 103 HN 106] )
&rst
ixpk= 6977, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1618,1619,1620,1649,
&end
#
# 7 THR HN 108 ILE MD 6.00 (# 6981.1 Unique )
&rst
ixpk= 6981, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1694,1695,1696,
&end
#
# 77 THR HN 0 AMB m:6984 6.00 (# 6984.1 Single Ambig [MD2 22 MD1 22] )
&rst
ixpk= 6984, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 355, 356, 357, 351, 352, 353,
&end
#
# 81 THR HN 29 ILE QG1 6.00 (# 6999.1 Unique )
&rst
ixpk= 6999, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 466, 467,
&end
#
# 81 THR HN 0 AMB m:7002 6.00 (# 7002.1 Single Ambig [MG2 31 MG2 87 QG1 88 QB 85] )
&rst
ixpk= 7002, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr2= 488, 489, 490,1367,1368,1369,1383,1384,1317,1318,
&end
#
# 105 THR HN 0 AMB m:7014 6.00 (# 7014.1 Single Ambig [QG 106 QB 9] )
&rst
ixpk= 7014, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1656,1657, 142, 143,
&end
#
# 26 HIS HN 78 ILE MD 6.00 (# 7018.1 Unique )
&rst
ixpk= 7018, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1207,1208,1209,
&end
#
# 26 HIS HN 24 LEU HA 6.00 (# 7021.1 Unique )
&rst
ixpk= 7021, nxpk= 0, iat= 411, 387, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 144 SER HN 0 AMB m:7028 6.00 (# 7028.1 Single Ambig [QB 141 QB 139] )
&rst
ixpk= 7028, nxpk= 0, iat=2247, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=2206,2207,2170,2171,
&end
#
# 144 SER HN 142 LEU QB 6.00 (# 7032.1 Unique )
&rst
ixpk= 7032, nxpk= 0, iat=2247, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2225,2226,
&end
#
# 140 GLN HN 137 GLN QE2 6.00 (# 7035.1 Unique )
&rst
ixpk= 7035, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2145,2146,
&end
#
# 0 AMB m:7038a 0 AMB m:7038b 5.00 (# 7038.1 Double Ambig [HN 140 HN 51] [MD2 142 MD2 139 MG1 39 MD1 142] )
&rst
ixpk= 7038, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2185, 785,
igr2=2234,2235,2236,2179,2180,2181, 617, 618, 619,2230,
2231,2232,
&end
#
# 137 GLN HN 0 AMB m:7044 6.00 (# 7044.1 Single Ambig [MD1 53 MG1 138] )
&rst
ixpk= 7044, nxpk= 0, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 821, 822, 823,2156,2157,2158,
&end
#
# 137 GLN HN 0 AMB m:7048 6.00 (# 7048.1 Single Ambig [QB 139 QB 141 MB 52] )
&rst
ixpk= 7048, nxpk= 0, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2=2170,2171,2206,2207, 806, 807, 808,
&end
#
# 135 ARG HN 0 AMB m:7062 5.00 (# 7062.1 Single Ambig [MD2 110 MD1 53] )
&rst
ixpk= 7062, nxpk= 0, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1732,1733,1734, 821, 822, 823,
&end
#
# 135 ARG HN 0 AMB m:7066 5.40 (# 7066.1 Single Ambig [MG2 113 MG2 138 MD1 110] )
&rst
ixpk= 7066, nxpk= 0, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr2=1770,1771,1772,2160,2161,2162,1728,1729,1730,
&end
#
# 135 ARG HN 0 AMB m:7071 6.00 (# 7071.1 Single Ambig [MD1 110 MD2 131 MD2 139] )
&rst
ixpk= 7071, nxpk= 0, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2=1728,1729,1730,2040,2041,2042,2179,2180,2181,
&end
#
# 129 VAL HN 0 AMB m:7079 6.00 (# 7079.1 Single Ambig [HA 127 HA 126] )
&rst
ixpk= 7079, nxpk= 0, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1976,1962,
&end
#
# 127 LEU HN 0 AMB m:7083 6.00 (# 7083.1 Single Ambig [QB 63 HB 123] )
&rst
ixpk= 7083, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 974, 975,1915,
&end
#
# 126 ASN HN 0 AMB m:7097 6.00 (# 7097.1 Single Ambig [QB 127 QB 124] )
&rst
ixpk= 7097, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1978,1979,1931,1932,
&end
#
# 125 ASN HN 0 AMB m:7112 6.00 (# 7112.1 Single Ambig [MG2 113 MG2 123] )
&rst
ixpk= 7112, nxpk= 0, iat=1946, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1770,1771,1772,1921,1922,1923,
&end
#
# 123 VAL HN 0 AMB m:7116 6.00 (# 7116.1 Single Ambig [MD1 124 MD2 124] )
&rst
ixpk= 7116, nxpk= 0, iat=1911, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1936,1937,1938,1940,1941,1942,
&end
#
# 122 ARG HN 0 AMB m:7120 6.00 (# 7120.1 Single Ambig [MD1 67 MG1 119 MG1 123 MD2 67] )
&rst
ixpk= 7120, nxpk= 0, iat=1887, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2=1036,1037,1038,1857,1858,1859,1917,1918,1919,1040,
1041,1042,
&end
#
# 55 LEU HN 0 AMB m:7129 6.00 (# 7129.1 Single Ambig [MD1 127 MD 60 MD1 53] )
&rst
ixpk= 7129, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2=1983,1984,1985, 925, 926, 927, 821, 822, 823,
&end
#
# 55 LEU HN 51 GLN QB 6.00 (# 7138.1 Unique )
&rst
ixpk= 7138, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 789, 790,
&end
#
# 110 LEU HN 113 ILE MD 6.00 (# 7144.1 Unique )
&rst
ixpk= 7144, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1777,1778,1779,
&end
#
# 110 LEU HN 0 AMB m:7147 5.80 (# 7147.1 Single Ambig [MD2 109 MD1 109 MG1 138 QG1 113 MD1 112] )
&rst
ixpk= 7147, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr2=1713,1714,1715,1709,1710,1711,2156,2157,2158,1774,
1775,1754,1755,1756,
&end
#
# 103 VAL HN 0 AMB m:7154 6.00 (# 7154.1 Single Ambig [HA 5 HA 7] )
&rst
ixpk= 7154, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 67, 111,
&end
#
# 102 TYR HN 103 VAL MG2 6.00 (# 7161.1 Unique )
&rst
ixpk= 7161, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1622,1623,1624,
&end
#
# 100 HIS HN 0 AMB m:7164 6.00 (# 7164.1 Single Ambig [MD2 98 HN 104] )
&rst
ixpk= 7164, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1550,1551,1552,1628,
&end
#
# 97 LYS HN 96 ARG QB 5.20 (# 7168.1 Unique )
&rst
ixpk= 7168, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1495,1496,
&end
#
# 94 GLU HN 0 AMB m:7172 6.00 (# 7172.1 Single Ambig [QB 97 QB 114] )
&rst
ixpk= 7172, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1519,1520,1787,1788,
&end
#
# 94 GLU HN 0 AMB m:7177 6.00 (# 7177.1 Single Ambig [QB 110 QB 97 QB 96] )
&rst
ixpk= 7177, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1723,1724,1519,1520,1495,1496,
&end
#
# 90 LEU HN 88 ILE MG2 6.00 (# 7189.1 Unique )
&rst
ixpk= 7189, nxpk= 0, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1379,1380,1381,
&end
#
# 88 ILE HN 0 AMB m:7196 6.00 (# 7196.1 Single Ambig [QB 86 HG 90 QB 83] )
&rst
ixpk= 7196, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=1339,1340,1414,1283,1284,
&end
#
# 86 LYS HN 0 AMB m:7201 6.00 (# 7201.1 Single Ambig [MD1 90 MG1 87] )
&rst
ixpk= 7201, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1416,1417,1418,1363,1364,1365,
&end
#
# 78 ILE HN 0 AMB m:7210 6.00 (# 7210.1 Single Ambig [MD2 22 MB 21] )
&rst
ixpk= 7210, nxpk= 0, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 355, 356, 357, 336, 337, 338,
&end
#
# 80 TYR HN 0 AMB m:7218 6.00 (# 7218.1 Single Ambig [HB 29 MG2 81] )
&rst
ixpk= 7218, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 460,1257,1258,1259,
&end
#
# 84 ALA HN 0 AMB m:7222 6.00 (# 7222.1 Single Ambig [MD 34 MG2 29 MG1 87 HN 30] )
&rst
ixpk= 7222, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr2= 541, 542, 543, 462, 463, 464,1363,1364,1365, 475,
&end
#
# 66 SER HN 68 ILE QG1 6.00 (# 7240.1 Unique )
&rst
ixpk= 7240, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1056,1057,
&end
#
# 64 VAL HN 0 AMB m:7243 6.00 (# 7243.1 Single Ambig [QB 32 HG 67 HB 119 QB 122] )
&rst
ixpk= 7243, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 500, 501,1034,1855,1891,1892,
&end
#
# 53 LEU HN 50 LEU QB 5.80 (# 7265.1 Unique )
&rst
ixpk= 7265, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 770, 771,
&end
#
# 52 ALA HN 0 AMB m:7271 6.00 (# 7271.1 Single Ambig [MD2 141 MD2 55 MD1 141] )
&rst
ixpk= 7271, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2=2215,2216,2217, 851, 852, 853,2211,2212,2213,
&end
#
# 47 ALA HN 0 AMB m:7276 6.00 (# 7276.1 Single Ambig [QB 48 HG 50 QB 106] )
&rst
ixpk= 7276, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2= 738, 739, 773,1653,1654,
&end
#
# 46 ALA HN 0 AMB m:7282 6.00 (# 7282.1 Single Ambig [QB 106 QG 106 QB 48 HG 50 HG 141] )
&rst
ixpk= 7282, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr2=1653,1654,1656,1657, 738, 739, 773,2209,
&end
#
# 40 ARG HN 0 AMB m:7289 6.00 (# 7289.1 Single Ambig [QB 16 MG1 13] )
&rst
ixpk= 7289, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2= 260, 261, 217, 218, 219,
&end
#
# 40 ARG HN 0 AMB m:7293 6.00 (# 7293.1 Single Ambig [MD1 16 MD2 38 MD1 36 MD2 16] )
&rst
ixpk= 7293, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2= 265, 266, 267, 605, 606, 607, 575, 576, 577, 269,
270, 271,
&end
#
# 39 VAL HN 0 AMB m:7299 4.70 (# 7299.1 Single Ambig [MD1 35 MD2 38 MD1 38 MD1 36 MG2 13] )
&rst
ixpk= 7299, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
igr2= 556, 557, 558, 605, 606, 607, 601, 602, 603, 575,
576, 577, 221, 222, 223,
&end
#
# 38 LEU HN 0 AMB m:7306 6.00 (# 7306.1 Single Ambig [QB 35 HG 35 MB 46] )
&rst
ixpk= 7306, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 551, 552, 554, 718, 719, 720,
&end
#
# 29 ILE HN 0 AMB m:7319 6.00 (# 7319.1 Single Ambig [MB 84 HB 78] )
&rst
ixpk= 7319, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1307,1308,1309,1198,
&end
#
# 28 ASN HN 0 AMB m:7327 5.20 (# 7327.1 Single Ambig [QB 26 QB 27] )
&rst
ixpk= 7327, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 415, 416, 432, 433,
&end
#
# 20 GLU HN 0 AMB m:7347 6.00 (# 7347.1 Single Ambig [MD2 36 MD2 16 MD2 22 MD1 22] )
&rst
ixpk= 7347, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2= 579, 580, 581, 269, 270, 271, 355, 356, 357, 351,
352, 353,
&end
#
# 20 GLU HN 0 AMB m:7353 6.00 (# 7353.1 Single Ambig [QB 36 HG 22 HB 78 QB 23] )
&rst
ixpk= 7353, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 570, 571, 349,1198, 365, 366,
&end
#
# 20 GLU HN 0 AMB m:7359 6.00 (# 7359.1 Single Ambig [QB 23 QB 36 HG 36 HG 16] )
&rst
ixpk= 7359, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 365, 366, 570, 571, 573, 263,
&end
#
# 19 GLU HN 0 AMB m:7365 6.00 (# 7365.1 Single Ambig [HG 16 QB 23 QB 14 QG1 34] )
&rst
ixpk= 7365, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2= 263, 365, 366, 231, 232, 538, 539,
&end
#
# 17 ALA HN 29 ILE QG1 6.00 (# 7374.1 Unique )
&rst
ixpk= 7374, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 466, 467,
&end
#
# 16 LEU HN 0 AMB m:7377 5.40 (# 7377.1 Single Ambig [QB 12 QB 18 QG 19] )
&rst
ixpk= 7377, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2= 193, 194, 289, 290, 309, 310,
&end
#
# 11 GLN HN 0 AMB m:7393 6.00 (# 7393.1 Single Ambig [MG2 13 MD 108 MD2 14] )
&rst
ixpk= 7393, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 221, 222, 223,1694,1695,1696, 240, 241, 242,
&end
#
# 10 ALA HN 0 AMB m:7398 6.00 (# 7398.1 Single Ambig [MD 108 MG2 13] )
&rst
ixpk= 7398, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1694,1695,1696, 221, 222, 223,
&end
#
# 0 AMB m:7419a 0 AMB m:7419b 5.60 (# 7419.1 Double Ambig [HN 35 HN 13] [QB 112 QB 16 QG 20 HB 123 QB 11] )
&rst
ixpk= 7419, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.07, r4= 9.57,
igr1= 547, 211,
igr2=1749,1750, 260, 261, 324, 325,1915, 176, 177,
&end
#
# 48 LYS HN 0 AMB m:7429 6.00 (# 7429.1 Single Ambig [MD2 141 MG2 45] )
&rst
ixpk= 7429, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=2215,2216,2217, 701, 702, 703,
&end
#
# 50 LEU HN 55 LEU QB 6.00 (# 7433.1 Unique )
&rst
ixpk= 7433, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 842, 843,
&end
#
# 91 SER HN 0 AMB m:7445 6.00 (# 7445.1 Single Ambig [HG 90 QG1 108 QB 114 QB 110] )
&rst
ixpk= 7445, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2=1414,1691,1692,1787,1788,1723,1724,
&end
#
# 91 SER HN 0 AMB m:7451 6.00 (# 7451.1 Single Ambig [QG1 108 MG2 88 MD1 110] )
&rst
ixpk= 7451, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr2=1691,1692,1379,1380,1381,1728,1729,1730,
&end
#
# 91 SER HN 0 AMB m:7456 6.00 (# 7456.1 Single Ambig [HA 92 QB 107 HA 84] )
&rst
ixpk= 7456, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1439,1668,1669,1305,
&end
#
# 95 ALA HN 0 AMB m:7465 6.00 (# 7465.1 Single Ambig [QB 96 QB 97 QB 110] )
&rst
ixpk= 7465, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1495,1496,1519,1520,1723,1724,
&end
#
# 95 ALA HN 0 AMB m:7470 6.00 (# 7470.1 Single Ambig [MD1 110 MD2 139] )
&rst
ixpk= 7470, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1728,1729,1730,2179,2180,2181,
&end
#
# 113 ILE HN 0 AMB m:7474 4.80 (# 7474.1 Single Ambig [HA 110 HA 131] )
&rst
ixpk= 7474, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1721,2029,
&end
#
# 131 LEU HN 134 ALA MB 6.00 (# 7478.1 Unique )
&rst
ixpk= 7478, nxpk= 0, iat=2027, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2086,2087,2088,
&end
#
# 115 GLU HN 0 AMB m:7481 4.90 (# 7481.1 Single Ambig [QB 90 QB 117] )
&rst
ixpk= 7481, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1411,1412,1833,1834,
&end
#
# 115 GLU HN 0 AMB m:7485 6.00 (# 7485.1 Single Ambig [MD2 131 MG2 123] )
&rst
ixpk= 7485, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=2040,2041,2042,1921,1922,1923,
&end
#
# 112 LEU HN 0 AMB m:7489 6.00 (# 7489.1 Single Ambig [MD 113 MD1 124] )
&rst
ixpk= 7489, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1777,1778,1779,1936,1937,1938,
&end
#
# 112 LEU HN 0 AMB m:7493 6.00 (# 7493.1 Single Ambig [QB 110 HB 34 QB 114 QB 35 HB 108] )
&rst
ixpk= 7493, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr2=1723,1724, 532,1787,1788, 551, 552,1685,
&end
#
# 61 GLN QE2 0 AMB m:7504 6.00 (# 7504.1 Single Ambig [HA 58 HA 40 HA 62] )
&rst
ixpk= 7504, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 943, 944,
igr2= 877, 629, 950,
&end
#
# 28 ASN QD2 81 THR MG2 5.60 (# 7512.1 Unique )
&rst
ixpk= 7512, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 451, 452,
igr2=1257,1258,1259,
&end
#
# 28 ASN QD2 0 AMB m:7515 6.00 (# 7515.1 Single Ambig [MG2 81 QB 24] )
&rst
ixpk= 7515, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 451, 452,
igr2=1257,1258,1259, 389, 390,
&end
#
# 125 ASN QD2 0 AMB m:7519 6.00 (# 7519.1 Single Ambig [MG1 129 MG2 129 MG1 123 MD1 55 MD2 55] )
&rst
ixpk= 7519, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1=1955,1956,
igr2=2006,2007,2008,2010,2011,2012,1917,1918,1919, 847,
848, 849, 851, 852, 853,
&end
#
# 126 ASN QD2 122 ARG QB 6.00 (# 7529.1 Unique )
&rst
ixpk= 7529, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1969,1970,
igr2=1891,1892,
&end
#
# 126 ASN QD2 0 AMB m:7533 6.00 (# 7533.1 Single Ambig [HN 127 QD2 125] )
&rst
ixpk= 7533, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1969,1970,
igr2=1974,1955,1956,
&end
#
# 132 ASN QD2 131 LEU MD1 6.00 (# 7537.1 Unique )
&rst
ixpk= 7537, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2055,2056,
igr2=2036,2037,2038,
&end
#
# 61 GLN QE2 36 LEU QB 6.00 (# 7547.1 Unique )
&rst
ixpk= 7547, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 943, 944,
igr2= 570, 571,
&end
#
# 61 GLN QE2 36 LEU MD2 6.00 (# 7553.1 Unique )
&rst
ixpk= 7553, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 943, 944,
igr2= 579, 580, 581,
&end
#
# 72 GLN QE2 0 AMB m:7565 6.00 (# 7565.1 Single Ambig [MB 21 MD 68 HN 30] )
&rst
ixpk= 7565, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1=1115,1116,
igr2= 336, 337, 338,1059,1060,1061, 475,
&end
#
# 137 GLN QE2 0 AMB m:7584 4.10 (# 7584.1 Single Ambig [MD2 141 MD1 141] )
&rst
ixpk= 7584, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=2145,2146,
igr2=2215,2216,2217,2211,2212,2213,
&end
#
# 9 ARG HE 9 ARG QB 5.80 (# 7595.1 Unique )
&rst
ixpk= 7595, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 142, 143,
&end
#
# 145 ASN HN 144 SER QB 5.20 (# 7613.1 Unique )
&rst
ixpk= 7613, nxpk= 0, iat=2258, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=2251,2252,
&end
#
# 52 ALA HN 0 AMB m:7680 6.00 (# 7680.1 Single Ambig [QB 53 QB 50] )
&rst
ixpk= 7680, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 816, 817, 770, 771,
&end
#
# 78 ILE HN 78 ILE HA 3.40 (# 7701.1 Unique )
&rst
ixpk= 7701, nxpk= 0, iat=1194,1196, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 78 ILE HN 78 ILE HB 2.60 (# 7718.1 Unique )
&rst
ixpk= 7718, nxpk= 0, iat=1194,1198, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 78 ILE HN 0 AMB m:7731 4.10 (# 7731.1 Single Ambig [MG2 78 MD 78] )
&rst
ixpk= 7731, nxpk= 0, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1200,1201,1202,1207,1208,1209,
&end
#
# 17 ALA HN 15 ALA HA 5.40 (# 7742.1 Unique )
&rst
ixpk= 7742, nxpk= 0, iat= 275, 248, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 17 ALA HN 0 AMB m:7745 3.40 (# 7745.1 Single Ambig [HA 17 HA 16 HA 14] )
&rst
ixpk= 7745, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 277, 258, 229,
&end
#
# 17 ALA HN 0 AMB m:7771 4.90 (# 7771.1 Single Ambig [QA 37 HA 34] )
&rst
ixpk= 7771, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 587, 588, 530,
&end
#
# 129 VAL HN 127 LEU QB 4.90 (# 7794.1 Unique )
&rst
ixpk= 7794, nxpk= 0, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1978,1979,
&end
#
# 84 ALA HN 83 ARG QB 4.30 (# 7798.1 Unique )
&rst
ixpk= 7798, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1283,1284,
&end
#
# 84 ALA HN 0 AMB m:7808 6.00 (# 7808.1 Single Ambig [MG2 31 QB 85] )
&rst
ixpk= 7808, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2= 488, 489, 490,1317,1318,
&end
#
# 17 ALA HN 0 AMB m:7816 6.00 (# 7816.1 Single Ambig [MD2 16 MD1 16] )
&rst
ixpk= 7816, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 129 VAL HN 0 AMB m:7820 2.90 (# 7820.1 Single Ambig [MG2 129 MD1 55] )
&rst
ixpk= 7820, nxpk= 0, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=2010,2011,2012, 847, 848, 849,
&end
#
# 12 LYS HN 12 LYS HA 3.40 (# 7849.1 Unique )
&rst
ixpk= 7849, nxpk= 0, iat= 189, 191, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 10 ALA HN 8 GLU HA 5.60 (# 7855.1 Unique )
&rst
ixpk= 7855, nxpk= 0, iat= 162, 125, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 74 MET HN 74 MET QB 3.60 (# 7909.1 Unique )
&rst
ixpk= 7909, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1139,1140,
&end
#
# 74 MET HN 0 AMB m:7913 3.30 (# 7913.1 Single Ambig [QB 73 QB 74] )
&rst
ixpk= 7913, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1124,1125,1139,1140,
&end
#
# 10 ALA HN 11 GLN QB 6.00 (# 7919.1 Unique )
&rst
ixpk= 7919, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 176, 177,
&end
#
# 12 LYS HN 0 AMB m:7924 3.00 (# 7924.1 Single Ambig [QB 11 QB 12] )
&rst
ixpk= 7924, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 176, 177, 193, 194,
&end
#
# 6 PHE HN 0 AMB m:7943 6.00 (# 7943.1 Single Ambig [MB 10 QB 5] )
&rst
ixpk= 7943, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2= 166, 167, 168, 69, 70,
&end
#
# 80 TYR HN 81 THR HA 5.80 (# 7976.1 Unique )
&rst
ixpk= 7976, nxpk= 0, iat=1230,1253, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 73 GLU HN 72 GLN HA 3.50 (# 7988.1 Unique; orig = 2.80 )
&rst
ixpk= 7988, nxpk= 0, iat=1120,1105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 ARG HN 0 AMB m:8001 5.00 (# 8001.1 Single Ambig [HA 20 HA 24] )
&rst
ixpk= 8001, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 319, 387,
&end
#
# 73 GLU HN 0 AMB m:8008 3.40 (# 8008.1 Single Ambig [HA 73 QA 71] )
&rst
ixpk= 8008, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1122,1098,1099,
&end
#
# 33 HIS HN 33 HIS HA 3.10 (# 8025.1 Unique )
&rst
ixpk= 8025, nxpk= 0, iat= 511, 513, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 73 GLU HN 25 GLY QA 5.80 (# 8034.1 Unique )
&rst
ixpk= 8034, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 406, 407,
&end
#
# 0 AMB m:8045a 0 AMB m:8045b 3.10 (# 8045.1 Double Ambig [HN 55 HN 117] [HA 51 QA 116] )
&rst
ixpk= 8045, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 838,1829,
igr2= 787,1824,1825,
&end
#
# 38 LEU HN 37 GLY QA 3.90 (# 8069.1 Unique )
&rst
ixpk= 8069, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 587, 588,
&end
#
# 89 GLU HN 0 AMB m:8145 3.00 (# 8145.1 Single Ambig [QB 89 HB 88] )
&rst
ixpk= 8145, nxpk= 0, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1396,1397,1377,
&end
#
# 126 ASN HN 127 LEU QB 6.00 (# 8157.1 Unique )
&rst
ixpk= 8157, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1978,1979,
&end
#
# 41 GLU HN 0 AMB m:8176 2.80 (# 8176.1 Single Ambig [QB 40 QB 41] )
&rst
ixpk= 8176, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 631, 632, 655, 656,
&end
#
# 23 ARG HN 0 AMB m:8190 4.70 (# 8190.1 Single Ambig [QB 23 QB 22] )
&rst
ixpk= 8190, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 365, 366, 346, 347,
&end
#
# 55 LEU HN 55 LEU HG 3.10 (# 8195.1 Unique )
&rst
ixpk= 8195, nxpk= 0, iat= 838, 845, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 33 HIS HN 32 GLU QB 4.30 (# 8206.1 Unique )
&rst
ixpk= 8206, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 500, 501,
&end
#
# 33 HIS HN 0 AMB m:8229 6.00 (# 8229.1 Single Ambig [MD2 36 MD1 36] )
&rst
ixpk= 8229, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 579, 580, 581, 575, 576, 577,
&end
#
# 23 ARG HN 0 AMB m:8233 6.00 (# 8233.1 Single Ambig [MD1 22 MD2 22] )
&rst
ixpk= 8233, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 351, 352, 353, 355, 356, 357,
&end
#
# 33 HIS HN 0 AMB m:8251 5.50 (# 8251.1 Single Ambig [MD 68 QG1 34] )
&rst
ixpk= 8251, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2=1059,1060,1061, 538, 539,
&end
#
# 79 HIS HN 28 ASN HA 2.30 (# 8267.1 Unique )
&rst
ixpk= 8267, nxpk= 0, iat=1213, 444, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 3 PHE HN 2 MET HA 3.50 (# 8276.1 Unique; orig = 2.80 )
&rst
ixpk= 8276, nxpk= 0, iat= 38, 23, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 HIS HN 78 ILE HA 2.20 (# 8279.1 Unique )
&rst
ixpk= 8279, nxpk= 0, iat=1213,1196, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 107 HIS HN 107 HIS HA 3.40 (# 8311.1 Unique )
&rst
ixpk= 8311, nxpk= 0, iat=1664,1666, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 107 HIS HN 0 AMB m:8314 6.00 (# 8314.1 Single Ambig [QA 104 HA 103] )
&rst
ixpk= 8314, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1630,1631,1614,
&end
#
# 43 GLU HN 42 GLY QA 3.80 (# 8358.1 Unique )
&rst
ixpk= 8358, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 668, 669,
&end
#
# 95 ALA HN 0 AMB m:8366 3.80 (# 8366.1 Single Ambig [HA 94 HA 92] )
&rst
ixpk= 8366, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1468,1439,
&end
#
# 115 GLU HN 113 ILE HA 5.40 (# 8382.1 Unique )
&rst
ixpk= 8382, nxpk= 0, iat=1807,1766, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 115 GLU HN 87 VAL HA 5.80 (# 8385.1 Unique )
&rst
ixpk= 8385, nxpk= 0, iat=1807,1359, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 95 ALA HN 94 GLU QG 6.00 (# 8423.1 Unique )
&rst
ixpk= 8423, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1473,1474,
&end
#
# 112 LEU HN 114 ARG QB 6.00 (# 8457.1 Unique )
&rst
ixpk= 8457, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1787,1788,
&end
#
# 89 GLU HN 90 LEU QB 5.80 (# 8465.1 Unique )
&rst
ixpk= 8465, nxpk= 0, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1411,1412,
&end
#
# 107 HIS HN 108 ILE HB 6.00 (# 8480.1 Unique )
&rst
ixpk= 8480, nxpk= 0, iat=1664,1685, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 97 LYS HN 0 AMB m:8493 3.00 (# 8493.1 Single Ambig [QB 97 QB 96] )
&rst
ixpk= 8493, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1519,1520,1495,1496,
&end
#
# 115 GLU HN 0 AMB m:8515 2.90 (# 8515.1 Single Ambig [QB 114 QB 115] )
&rst
ixpk= 8515, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1787,1788,1811,1812,
&end
#
# 115 GLU HN 114 ARG QB 5.10 (# 8522.1 Unique )
&rst
ixpk= 8522, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1787,1788,
&end
#
# 40 ARG HN 40 ARG QB 2.60 (# 8526.1 Unique )
&rst
ixpk= 8526, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 631, 632,
&end
#
# 107 HIS HN 0 AMB m:8535 5.20 (# 8535.1 Single Ambig [QB 106 QG1 108] )
&rst
ixpk= 8535, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=1653,1654,1691,1692,
&end
#
# 89 GLU HN 88 ILE QG1 6.00 (# 8574.1 Unique )
&rst
ixpk= 8574, nxpk= 0, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1383,1384,
&end
#
# 79 HIS HN 0 AMB m:8612 3.50 (# 8612.1 Single Ambig [MG2 78 MD 78] )
&rst
ixpk= 8612, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1200,1201,1202,1207,1208,1209,
&end
#
# 40 ARG HN 16 LEU MD1 6.00 (# 8619.1 Unique )
&rst
ixpk= 8619, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 265, 266, 267,
&end
#
# 133 LYS HN 131 LEU HA 5.40 (# 8690.1 Unique )
&rst
ixpk= 8690, nxpk= 0, iat=2060,2029, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 123 VAL HN 0 AMB m:8788 6.00 (# 8788.1 Single Ambig [MB 120 QB 124] )
&rst
ixpk= 8788, nxpk= 0, iat=1911, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=1871,1872,1873,1931,1932,
&end
#
# 63 GLU HN 62 LYS QB 4.30 (# 8796.1 Unique )
&rst
ixpk= 8796, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 952, 953,
&end
#
# 87 VAL HN 0 AMB m:8853 4.70 (# 8853.1 Single Ambig [HA 86 HA 83] )
&rst
ixpk= 8853, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1337,1281,
&end
#
# 108 ILE HN 107 HIS HA 4.50 (# 8870.1 Unique )
&rst
ixpk= 8870, nxpk= 0, iat=1681,1666, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 ARG HN 69 GLY QA 3.50 (# 8873.1 Unique; orig = 2.80 )
&rst
ixpk= 8873, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1067,1068,
&end
#
# 13 VAL HN 10 ALA HA 4.60 (# 8884.1 Unique )
&rst
ixpk= 8884, nxpk= 0, iat= 211, 164, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 35 LEU HN 35 LEU HA 3.10 (# 8887.1 Unique )
&rst
ixpk= 8887, nxpk= 0, iat= 547, 549, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 26 HIS HN 21 ALA HA 4.80 (# 8903.1 Unique )
&rst
ixpk= 8903, nxpk= 0, iat= 411, 334, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 103 VAL HN 102 TYR QB 3.60 (# 8926.1 Unique )
&rst
ixpk= 8926, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1595,1596,
&end
#
# 35 LEU HN 0 AMB m:8943 2.60 (# 8943.1 Single Ambig [QB 35 HB 34] )
&rst
ixpk= 8943, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 551, 552, 532,
&end
#
# 35 LEU HN 32 GLU QB 6.00 (# 8973.1 Unique; orig = 4.90 )
&rst
ixpk= 8973, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 500, 501,
&end
#
# 35 LEU HN 0 AMB m:9027 4.00 (# 9027.1 Single Ambig [MD2 35 MG2 34] )
&rst
ixpk= 9027, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 560, 561, 562, 534, 535, 536,
&end
#
# 72 GLN HN 71 GLY QA 2.90 (# 9078.1 Unique )
&rst
ixpk= 9078, nxpk= 0, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1098,1099,
&end
#
# 142 LEU HN 0 AMB m:9088 3.10 (# 9088.1 Single Ambig [HA 142 HA 141] )
&rst
ixpk= 9088, nxpk= 0, iat=2221, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=2223,2204,
&end
#
# 19 GLU HN 0 AMB m:9098 3.80 (# 9098.1 Single Ambig [HA 16 HA 17] )
&rst
ixpk= 9098, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 258, 277,
&end
#
# 91 SER HN 92 MET HA 6.00 (# 9119.1 Unique )
&rst
ixpk= 9119, nxpk= 0, iat=1426,1439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 LEU HN 109 LEU HA 3.10 (# 9144.1 Unique )
&rst
ixpk= 9144, nxpk= 0, iat=1700,1702, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 0 AMB m:9151a 0 AMB m:9151b 6.00 (# 9151.1 Double Ambig [HN 34 HN 121] [QA 30 HA 35 HA 122] )
&rst
ixpk= 9151, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 528,1877,
igr2= 477, 478, 549,1889,
&end
#
# 34 ILE HN 34 ILE HA 3.60 (# 9186.1 Unique )
&rst
ixpk= 9186, nxpk= 0, iat= 528, 530, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 87 VAL HN 87 VAL HB 2.90 (# 9205.1 Unique )
&rst
ixpk= 9205, nxpk= 0, iat=1357,1361, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 61 GLN HN 62 LYS QB 6.00 (# 9225.1 Unique )
&rst
ixpk= 9225, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 952, 953,
&end
#
# 138 VAL HN 0 AMB m:9243 3.10 (# 9243.1 Single Ambig [HB 138 QB 137] )
&rst
ixpk= 9243, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=2154,2137,2138,
&end
#
# 138 VAL HN 137 GLN QB 3.80 (# 9248.1 Unique )
&rst
ixpk= 9248, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=2137,2138,
&end
#
# 19 GLU HN 0 AMB m:9258 2.40 (# 9258.1 Single Ambig [QB 18 QG 19 QB 19] )
&rst
ixpk= 9258, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 289, 290, 309, 310, 306, 307,
&end
#
# 61 GLN HN 60 ILE HB 2.80 (# 9275.1 Unique )
&rst
ixpk= 9275, nxpk= 0, iat= 931, 916, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 91 SER HN 90 LEU HG 6.00 (# 9278.1 Unique )
&rst
ixpk= 9278, nxpk= 0, iat=1426,1414, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 138 VAL HN 0 AMB m:9281 6.00 (# 9281.1 Single Ambig [QB 139 HG 139 QB 135] )
&rst
ixpk= 9281, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=2170,2171,2173,2096,2097,
&end
#
# 140 GLN HN 0 AMB m:9287 3.50 (# 9287.1 Single Ambig [QB 139 HG 139] )
&rst
ixpk= 9287, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2170,2171,2173,
&end
#
# 142 LEU HN 0 AMB m:9296 2.50 (# 9296.1 Single Ambig [HG 142 QB 142] )
&rst
ixpk= 9296, nxpk= 0, iat=2221, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=2228,2225,2226,
&end
#
# 142 LEU HN 142 LEU QB 3.40 (# 9301.1 Unique )
&rst
ixpk= 9301, nxpk= 0, iat=2221, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=2225,2226,
&end
#
# 121 ALA HN 0 AMB m:9312 5.60 (# 9312.1 Single Ambig [QB 122 QB 124] )
&rst
ixpk= 9312, nxpk= 0, iat=1877, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2=1891,1892,1931,1932,
&end
#
# 130 SER HN 133 LYS QB 2.60 (# 9321.1 Unique )
&rst
ixpk= 9321, nxpk= 0, iat=2016, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2=2064,2065,
&end
#
# 140 GLN HN 0 AMB m:9325 3.90 (# 9325.1 Single Ambig [QB 139 QB 141] )
&rst
ixpk= 9325, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=2170,2171,2206,2207,
&end
#
# 142 LEU HN 141 LEU QB 4.10 (# 9334.1 Unique )
&rst
ixpk= 9334, nxpk= 0, iat=2221, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=2206,2207,
&end
#
# 109 LEU HN 0 AMB m:9350 3.00 (# 9350.1 Single Ambig [QB 109 MB 46] )
&rst
ixpk= 9350, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1704,1705, 718, 719, 720,
&end
#
# 61 GLN HN 39 VAL MG1 6.00 (# 9361.1 Unique )
&rst
ixpk= 9361, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 617, 618, 619,
&end
#
# 51 GLN HN 0 AMB m:9386 6.00 (# 9386.1 Single Ambig [MD1 50 MD2 50] )
&rst
ixpk= 9386, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 775, 776, 777, 779, 780, 781,
&end
#
# 127 LEU HN 0 AMB m:9472 5.20 (# 9472.1 Single Ambig [QA 128 HA 124] )
&rst
ixpk= 9472, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1995,1996,1929,
&end
#
# 64 VAL HN 64 VAL HB 2.60 (# 9534.1 Unique )
&rst
ixpk= 9534, nxpk= 0, iat= 985, 989, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 139 LEU HN 138 VAL HB 3.10 (# 9545.1 Unique )
&rst
ixpk= 9545, nxpk= 0, iat=2166,2154, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 137 GLN HN 137 GLN QB 3.00 (# 9553.1 Unique )
&rst
ixpk= 9553, nxpk= 0, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2137,2138,
&end
#
# 9 ARG HN 9 ARG QB 3.10 (# 9558.1 Unique )
&rst
ixpk= 9558, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 142, 143,
&end
#
# 127 LEU HN 127 LEU HG 2.80 (# 9585.1 Unique )
&rst
ixpk= 9585, nxpk= 0, iat=1974,1981, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 14 LEU HN 0 AMB m:9592 2.50 (# 9592.1 Single Ambig [HG 14 QB 14] )
&rst
ixpk= 9592, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 234, 231, 232,
&end
#
# 14 LEU HN 14 LEU QB 3.60 (# 9604.1 Unique )
&rst
ixpk= 9604, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 231, 232,
&end
#
# 60 ILE HN 0 AMB m:9672 4.10 (# 9672.1 Single Ambig [HA 59 HA 58] )
&rst
ixpk= 9672, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 892, 877,
&end
#
# 124 LEU HN 0 AMB m:9692 3.60 (# 9692.1 Single Ambig [HA 124 HA 121] )
&rst
ixpk= 9692, nxpk= 0, iat=1927, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1929,1879,
&end
#
# 98 LEU HN 99 GLY QA 6.00 (# 9705.1 Unique )
&rst
ixpk= 9705, nxpk= 0, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1558,1559,
&end
#
# 62 LYS HN 62 LYS QB 3.10 (# 9743.1 Unique )
&rst
ixpk= 9743, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 952, 953,
&end
#
# 124 LEU HN 123 VAL HB 2.80 (# 9749.1 Unique )
&rst
ixpk= 9749, nxpk= 0, iat=1927,1915, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 22 LEU HN 19 GLU QG 6.00 (# 9752.1 Unique; orig = 3.30 )
&rst
ixpk= 9752, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 309, 310,
&end
#
# 48 LYS HN 48 LYS QB 3.50 (# 9781.1 Unique )
&rst
ixpk= 9781, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 738, 739,
&end
#
# 124 LEU HN 124 LEU HG 2.20 (# 9790.1 Unique )
&rst
ixpk= 9790, nxpk= 0, iat=1927,1934, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 120 ALA HN 119 VAL HB 2.80 (# 9793.1 Unique )
&rst
ixpk= 9793, nxpk= 0, iat=1867,1855, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 98 LEU HN 97 LYS QB 3.90 (# 9818.1 Unique )
&rst
ixpk= 9818, nxpk= 0, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1519,1520,
&end
#
# 48 LYS HN 0 AMB m:9831 4.00 (# 9831.1 Single Ambig [MB 47 QB 48] )
&rst
ixpk= 9831, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 728, 729, 730, 738, 739,
&end
#
# 120 ALA HN 0 AMB m:9836 5.80 (# 9836.1 Single Ambig [QB 32 QB 35] )
&rst
ixpk= 9836, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr2= 500, 501, 551, 552,
&end
#
# 125 ASN HN 0 AMB m:9866 6.00 (# 9866.1 Single Ambig [MD1 124 MD2 124] )
&rst
ixpk= 9866, nxpk= 0, iat=1946, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1936,1937,1938,1940,1941,1942,
&end
#
# 124 LEU HN 0 AMB m:9870 4.70 (# 9870.1 Single Ambig [MD2 124 MD1 124] )
&rst
ixpk= 9870, nxpk= 0, iat=1927, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1940,1941,1942,1936,1937,1938,
&end
#
# 22 LEU HN 0 AMB m:9874 4.10 (# 9874.1 Single Ambig [MD2 22 MD1 22] )
&rst
ixpk= 9874, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 355, 356, 357, 351, 352, 353,
&end
#
# 60 ILE HN 0 AMB m:9892 3.10 (# 9892.1 Single Ambig [MD 60 MG2 60] )
&rst
ixpk= 9892, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 925, 926, 927, 918, 919, 920,
&end
#
# 27 ASN HN 27 ASN HA 4.10 (# 9902.1 Unique )
&rst
ixpk= 9902, nxpk= 0, iat= 428, 430, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 75 SER HN 73 GLU HA 6.00 (# 9912.1 Unique )
&rst
ixpk= 9912, nxpk= 0, iat=1152,1122, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 65 GLU HN 64 VAL HB 2.50 (# 9969.1 Unique )
&rst
ixpk= 9969, nxpk= 0, iat=1001, 989, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 53 LEU HN 53 LEU QB 3.00 (# 9991.1 Unique )
&rst
ixpk= 9991, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 816, 817,
&end
#
# 36 LEU HN 35 LEU QB 3.90 (# 9999.1 Unique )
&rst
ixpk= 9999, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 551, 552,
&end
#
# 136 GLN HN 134 ALA HA 5.20 (# 10056.1 Unique )
&rst
ixpk= 10056, nxpk= 0, iat=2116,2084, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 50 LEU HN 0 AMB m:10059 3.50 (# 10059.1 Single Ambig [HA 50 HA 47 HA 49] )
&rst
ixpk= 10059, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 768, 726, 758,
&end
#
# 136 GLN HN 136 GLN QB 2.80 (# 10086.1 Unique )
&rst
ixpk= 10086, nxpk= 0, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2120,2121,
&end
#
# 136 GLN HN 134 ALA MB 6.00 (# 10125.1 Unique )
&rst
ixpk= 10125, nxpk= 0, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2086,2087,2088,
&end
#
# 18 GLN HN 0 AMB m:10132 6.00 (# 10132.1 Single Ambig [MG2 29 MB 21] )
&rst
ixpk= 10132, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 462, 463, 464, 336, 337, 338,
&end
#
# 28 ASN HN 27 ASN HA 4.00 (# 10148.1 Unique )
&rst
ixpk= 10148, nxpk= 0, iat= 442, 430, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 83 ARG HN 82 PRO QB 4.90 (# 10154.1 Unique )
&rst
ixpk= 10154, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1272,1273,
&end
#
# 144 SER HN 141 LEU HA 5.20 (# 10160.1 Unique )
&rst
ixpk= 10160, nxpk= 0, iat=2247,2204, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 28 ASN HN 0 AMB m:10180 4.10 (# 10180.1 Single Ambig [QB 26 QB 27] )
&rst
ixpk= 10180, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 415, 416, 432, 433,
&end
#
# 110 LEU HN 109 LEU QB 3.80 (# 10212.1 Unique )
&rst
ixpk= 10212, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1704,1705,
&end
#
# 81 THR HN 80 TYR HA 2.60 (# 10267.1 Unique )
&rst
ixpk= 10267, nxpk= 0, iat=1251,1232, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 81 THR HN 81 THR HB 5.60 (# 10273.1 Unique )
&rst
ixpk= 10273, nxpk= 0, iat=1251,1255, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 81 THR HN 30 GLY QA 5.40 (# 10282.1 Unique )
&rst
ixpk= 10282, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 477, 478,
&end
#
# 39 VAL HN 40 ARG QB 6.00 (# 10351.1 Unique )
&rst
ixpk= 10351, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 631, 632,
&end
#
# 68 ILE HN 68 ILE QG1 2.30 (# 10367.1 Unique )
&rst
ixpk= 10367, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08,
igr2=1056,1057,
&end
#
# 66 SER HN 0 AMB m:10377 6.00 (# 10377.1 Single Ambig [MD1 67 MD2 67] )
&rst
ixpk= 10377, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 68 ILE HN 0 AMB m:10381 4.80 (# 10381.1 Single Ambig [MD 68 MG1 119] )
&rst
ixpk= 10381, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1059,1060,1061,1857,1858,1859,
&end
#
# 0 AMB m:10425a 0 AMB m:10425b 5.20 (# 10425.1 Double Ambig [QE2 76 QE2 72] [QB 76 QB 72] )
&rst
ixpk= 10425, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
igr1=1175,1176,1115,1116,
igr2=1167,1168,1107,1108,
&end
#
# 11 GLN QE2 11 GLN QB 3.30 (# 10497.1 Unique )
&rst
ixpk= 10497, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 184, 185,
igr2= 176, 177,
&end
#
# 31 THR HN 31 THR MG2 3.60 (# 10515.1 Unique )
&rst
ixpk= 10515, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 488, 489, 490,
&end
#
# 0 AMB m:10565a 0 AMB m:10565b 4.70 (# 10565.1 Double Ambig [QE2 140 QE2 51] [QB 140 QB 51] )
&rst
ixpk= 10565, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1=2197,2198, 797, 798,
igr2=2189,2190, 789, 790,
&end
#
# 69 GLY HN 68 ILE QG1 4.60 (# 10589.1 Unique )
&rst
ixpk= 10589, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1056,1057,
&end
#
# 18 GLN QE2 0 AMB m:10593 3.80 (# 10593.1 Single Ambig [MD2 22 MD1 22] )
&rst
ixpk= 10593, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 297, 298,
igr2= 355, 356, 357, 351, 352, 353,
&end
#
# 18 GLN QE2 22 LEU MD2 5.20 (# 10601.1 Unique )
&rst
ixpk= 10601, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 297, 298,
igr2= 355, 356, 357,
&end
#
# 111 GLY HN 0 AMB m:10621 4.70 (# 10621.1 Single Ambig [HA 91 HA 107] )
&rst
ixpk= 10621, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1428,1666,
&end
#
# 111 GLY HN 110 LEU QB 3.40 (# 10640.1 Unique )
&rst
ixpk= 10640, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1723,1724,
&end
#
# 25 GLY HN 24 LEU QB 4.80 (# 10681.1 Unique )
&rst
ixpk= 10681, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 389, 390,
&end
#
# 128 GLY HN 125 ASN HA 4.10 (# 10717.1 Unique )
&rst
ixpk= 10717, nxpk= 0, iat=1993,1948, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 99 GLY HN 98 LEU HG 6.00 (# 10739.1 Unique )
&rst
ixpk= 10739, nxpk= 0, iat=1556,1544, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 128 GLY HN 127 LEU QB 4.30 (# 10742.1 Unique )
&rst
ixpk= 10742, nxpk= 0, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1978,1979,
&end
#
# 54 GLY HN 55 LEU HG 5.20 (# 10746.1 Unique )
&rst
ixpk= 10746, nxpk= 0, iat= 831, 845, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 143 GLY HN 0 AMB m:10765 3.80 (# 10765.1 Single Ambig [HG 142 QB 142] )
&rst
ixpk= 10765, nxpk= 0, iat=2240, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=2228,2225,2226,
&end
#
# 84 ALA HN 85 LYS HN 3.10 (# 10819.1 Unique )
&rst
ixpk= 10819, nxpk= 0, iat=1303,1313, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 129 VAL HN 128 GLY HN 2.60 (# 10828.1 Unique )
&rst
ixpk= 10828, nxpk= 0, iat=2000,1993, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 74 MET HN 75 SER HN 3.50 (# 10846.1 Unique; orig = 2.30 )
&rst
ixpk= 10846, nxpk= 0, iat=1135,1152, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 PHE HN 103 VAL HN 5.40 (# 10849.1 Unique )
&rst
ixpk= 10849, nxpk= 0, iat= 89,1612, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 6 PHE HN 6 PHE HD 2.90 (# 10858.1 Unique )
&rst
ixpk= 10858, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 97, 105,
&end
#
# 38 LEU HN 37 GLY HN 3.10 (# 10867.1 Unique )
&rst
ixpk= 10867, nxpk= 0, iat= 592, 585, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 126 ASN HN 125 ASN HN 3.10 (# 10876.1 Unique )
&rst
ixpk= 10876, nxpk= 0, iat=1960,1946, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 23 ARG HN 0 AMB m:10902 3.30 (# 10902.1 Single Ambig [HN 22 HN 21] )
&rst
ixpk= 10902, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 342, 332,
&end
#
# 41 GLU HN 42 GLY HN 3.10 (# 10924.1 Unique )
&rst
ixpk= 10924, nxpk= 0, iat= 651, 666, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 112 LEU HN 114 ARG HN 5.40 (# 10939.1 Unique )
&rst
ixpk= 10939, nxpk= 0, iat=1745,1783, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 93 ASP HN 0 AMB m:10948 3.00 (# 10948.1 Single Ambig [HN 94 HN 91] )
&rst
ixpk= 10948, nxpk= 0, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1466,1426,
&end
#
# 112 LEU HN 113 ILE HN 3.10 (# 10974.1 Unique )
&rst
ixpk= 10974, nxpk= 0, iat=1745,1764, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 3 PHE HN 3 PHE HD 4.50 (# 10989.1 Unique )
&rst
ixpk= 10989, nxpk= 0, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 46, 54,
&end
#
# 43 GLU HN 42 GLY HN 3.90 (# 10992.1 Unique )
&rst
ixpk= 10992, nxpk= 0, iat= 673, 666, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 115 GLU HN 116 GLY HN 3.40 (# 10995.1 Unique )
&rst
ixpk= 10995, nxpk= 0, iat=1807,1822, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 95 ALA HN 107 HIS HD2 4.80 (# 10998.1 Unique )
&rst
ixpk= 10998, nxpk= 0, iat=1481,1677, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 70 ARG HN 71 GLY HN 4.50 (# 11034.1 Unique; orig = 3.60 )
&rst
ixpk= 11034, nxpk= 0, iat=1072,1096, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 VAL HN 11 GLN HN 4.70 (# 11037.1 Unique )
&rst
ixpk= 11037, nxpk= 0, iat= 211, 172, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 26 HIS HN 0 AMB m:11044 5.20 (# 11044.1 Single Ambig [HN 72 HN 27] )
&rst
ixpk= 11044, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1103, 428,
&end
#
# 13 VAL HN 12 LYS HN 3.10 (# 11051.1 Unique )
&rst
ixpk= 11051, nxpk= 0, iat= 211, 189, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 72 GLN HN 71 GLY HN 6.00 (# 11091.1 Unique; orig = 4.10 )
&rst
ixpk= 11091, nxpk= 0, iat=1103,1096, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 51 GLN HN 52 ALA HN 3.10 (# 11097.1 Unique )
&rst
ixpk= 11097, nxpk= 0, iat= 785, 802, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 61 GLN HN 60 ILE HN 2.80 (# 11122.1 Unique )
&rst
ixpk= 11122, nxpk= 0, iat= 931, 912, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB m:11133a 0 AMB m:11133b 3.30 (# 11133.1 Double Ambig [HN 121 HN 34] [HN 122 HN 36] )
&rst
ixpk= 11133, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1877, 528,
igr2=1887, 566,
&end
#
# 51 GLN HN 53 LEU HN 6.00 (# 11137.1 Unique )
&rst
ixpk= 11137, nxpk= 0, iat= 785, 812, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 LEU HN 23 ARG HN 3.10 (# 11194.1 Unique )
&rst
ixpk= 11194, nxpk= 0, iat= 342, 361, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 125 ASN HN 125 ASN QD2 3.40 (# 11203.1 Unique )
&rst
ixpk= 11203, nxpk= 0, iat=1946, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1955,1956,
&end
#
# 85 LYS HN 0 AMB m:11223 3.40 (# 11223.1 Single Ambig [HN 84 HN 87] )
&rst
ixpk= 11223, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1303,1357,
&end
#
# 28 ASN HN 0 AMB m:11253 3.30 (# 11253.1 Single Ambig [HN 27 HN 29] )
&rst
ixpk= 11253, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 428, 456,
&end
#
# 28 ASN QD2 28 ASN HN 4.30 (# 11294.1 Unique )
&rst
ixpk= 11294, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 451, 452,
&end
#
# 145 ASN QD2 145 ASN QD2 2.20 (# 11306.1 Unique )
#This appears to be self-referential: ignoring
#
# 71 GLY HN 26 HIS HD2 3.90 (# 11349.1 Unique )
&rst
ixpk= 11349, nxpk= 0, iat=1096, 424, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 4 GLY HN 5 ARG HN 3.30 (# 11355.1 Unique )
&rst
ixpk= 11355, nxpk= 0, iat= 58, 65, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 54 GLY HN 52 ALA HN 5.40 (# 11364.1 Unique )
&rst
ixpk= 11364, nxpk= 0, iat= 831, 802, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 3 PHE HN 4 GLY QA 6.00 (# 11380.1 Unique )
&rst
ixpk= 11380, nxpk= 0, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 60, 61,
&end
#
# 4 GLY HN 0 AMB m:11390 6.00 (# 11390.1 Single Ambig [QB 92 QB 102] )
&rst
ixpk= 11390, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1441,1442,1595,1596,
&end
#
# 4 GLY HN 0 AMB m:11400 6.00 (# 11400.1 Single Ambig [ME 92 QB 92] )
&rst
ixpk= 11400, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=1448,1449,1450,1441,1442,
&end
#
# 4 GLY HN 5 ARG QB 6.00 (# 11408.1 Unique )
&rst
ixpk= 11408, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 69, 70,
&end
#
# 4 GLY HN 3 PHE HD 5.10 (# 11422.1 Unique )
&rst
ixpk= 11422, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 46, 54,
&end
#
# 5 ARG HN 0 AMB m:11439 5.80 (# 11439.1 Single Ambig [HD 6 HE 3] )
&rst
ixpk= 11439, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr2= 97, 105, 48, 52,
&end
#
# 6 PHE HN 103 VAL HB 6.00 (# 11443.1 Unique )
&rst
ixpk= 11443, nxpk= 0, iat= 89,1616, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 PHE HN 11 GLN QB 6.00 (# 11449.1 Unique )
&rst
ixpk= 11449, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 176, 177,
&end
#
# 6 PHE HN 102 TYR QB 6.00 (# 11458.1 Unique )
&rst
ixpk= 11458, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1595,1596,
&end
#
# 6 PHE HN 102 TYR QB 6.00 (# 11464.1 Unique )
&rst
ixpk= 11464, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1595,1596,
&end
#
# 6 PHE HN 11 GLN QE2 5.40 (# 11468.1 Unique )
&rst
ixpk= 11468, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 184, 185,
&end
#
# 6 PHE HN 0 AMB m:11471 6.00 (# 11471.1 Single Ambig [HE 6 QE2 11] )
&rst
ixpk= 11471, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 99, 103, 184, 185,
&end
#
# 7 THR HN 11 GLN QB 6.00 (# 11482.1 Unique )
&rst
ixpk= 11482, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 176, 177,
&end
#
# 7 THR HN 102 TYR QB 6.00 (# 11491.1 Unique )
&rst
ixpk= 11491, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1595,1596,
&end
#
# 7 THR HN 11 GLN QE2 6.00 (# 11515.1 Unique )
&rst
ixpk= 11515, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 184, 185,
&end
#
# 7 THR HN 0 AMB m:11521 6.00 (# 11521.1 Single Ambig [HN 6 HN 105] )
&rst
ixpk= 11521, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 89,1635,
&end
#
# 7 THR HN 0 AMB m:11525 6.00 (# 11525.1 Single Ambig [HN 9 HN 11] )
&rst
ixpk= 11525, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 138, 172,
&end
#
# 7 THR HN 8 GLU HN 6.00 (# 11529.1 Unique )
&rst
ixpk= 11529, nxpk= 0, iat= 109, 123, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 GLU HN 0 AMB m:11540 6.00 (# 11540.1 Single Ambig [QB 9 QB 6] )
&rst
ixpk= 11540, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 142, 143, 93, 94,
&end
#
# 8 GLU HN 0 AMB m:11555 6.00 (# 11555.1 Single Ambig [QE2 11 HD 102] )
&rst
ixpk= 11555, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 184, 185,1599,1608,
&end
#
# 83 ARG HN 84 ALA MB 6.00 (# 11599.1 Unique )
&rst
ixpk= 11599, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1307,1308,1309,
&end
#
# 10 ALA HN 0 AMB m:11629 6.00 (# 11629.1 Single Ambig [QB 9 QB 6] )
&rst
ixpk= 11629, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 142, 143, 93, 94,
&end
#
# 10 ALA HN 105 THR HA 6.00 (# 11642.1 Unique )
&rst
ixpk= 11642, nxpk= 0, iat= 162,1637, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 145 ASN HN 141 LEU HA 6.00 (# 11658.1 Unique )
&rst
ixpk= 11658, nxpk= 0, iat=2258,2204, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 145 ASN HN 141 LEU QB 6.00 (# 11664.1 Unique; orig = 4.80 )
&rst
ixpk= 11664, nxpk= 0, iat=2258, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2206,2207,
&end
#
# 145 ASN HN 141 LEU MD1 4.50 (# 11668.1 Unique; orig = 4.00 )
&rst
ixpk= 11668, nxpk= 0, iat=2258, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2211,2212,2213,
&end
#
# 140 GLN HN 140 GLN QE2 6.00 (# 11694.1 Unique )
&rst
ixpk= 11694, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2197,2198,
&end
#
# 139 LEU HN 135 ARG QB 6.00 (# 11703.1 Unique )
&rst
ixpk= 11703, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2096,2097,
&end
#
# 138 VAL HN 135 ARG QB 6.00 (# 11723.1 Unique )
&rst
ixpk= 11723, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2096,2097,
&end
#
# 137 GLN HN 134 ALA HN 6.00 (# 11769.1 Unique )
&rst
ixpk= 11769, nxpk= 0, iat=2133,2082, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 135 ARG HN 136 GLN QB 6.00 (# 11778.1 Unique )
&rst
ixpk= 11778, nxpk= 0, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2120,2121,
&end
#
# 135 ARG HN 131 LEU HA 4.80 (# 11790.1 Unique )
&rst
ixpk= 11790, nxpk= 0, iat=2092,2029, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 135 ARG HN 132 ASN QB 6.00 (# 11793.1 Unique )
&rst
ixpk= 11793, nxpk= 0, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2050,2051,
&end
#
# 135 ARG HN 130 SER HN 6.00 (# 11804.1 Unique; orig = 4.90 )
&rst
ixpk= 11804, nxpk= 0, iat=2092,2016, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 134 ALA HN 130 SER HN 4.90 (# 11820.1 Unique )
&rst
ixpk= 11820, nxpk= 0, iat=2082,2016, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 134 ALA HN 138 VAL HN 6.00 (# 11823.1 Unique )
&rst
ixpk= 11823, nxpk= 0, iat=2082,2150, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 133 LYS HN 113 ILE MG2 6.00 (# 11832.1 Unique )
&rst
ixpk= 11832, nxpk= 0, iat=2060, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1770,1771,1772,
&end
#
# 133 LYS HN 0 AMB m:11838 6.00 (# 11838.1 Single Ambig [HA 129 HA 134] )
&rst
ixpk= 11838, nxpk= 0, iat=2060, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2002,2084,
&end
#
# 133 LYS HN 136 GLN QB 6.00 (# 11846.1 Unique )
&rst
ixpk= 11846, nxpk= 0, iat=2060, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2120,2121,
&end
#
# 133 LYS HN 130 SER HA 6.00 (# 11852.1 Unique )
&rst
ixpk= 11852, nxpk= 0, iat=2060,2018, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 133 LYS HN 132 ASN QD2 6.00 (# 11862.1 Unique )
&rst
ixpk= 11862, nxpk= 0, iat=2060, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2055,2056,
&end
#
# 128 GLY HN 126 ASN QB 6.00 (# 11932.1 Unique; orig = 4.10 )
&rst
ixpk= 11932, nxpk= 0, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1964,1965,
&end
#
# 127 LEU HN 124 LEU MD2 6.00 (# 11942.1 Unique )
&rst
ixpk= 11942, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1940,1941,1942,
&end
#
# 127 LEU HN 124 LEU QB 6.00 (# 11945.1 Unique )
&rst
ixpk= 11945, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1931,1932,
&end
#
# 127 LEU HN 126 ASN QD2 6.00 (# 11964.1 Unique; orig = 4.60 )
&rst
ixpk= 11964, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1969,1970,
&end
#
# 126 ASN HN 124 LEU MD2 6.00 (# 11967.1 Unique )
&rst
ixpk= 11967, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1940,1941,1942,
&end
#
# 126 ASN HN 63 GLU QG 6.00 (# 11981.1 Unique )
&rst
ixpk= 11981, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 977, 978,
&end
#
# 126 ASN QD2 122 ARG QB 6.00 (# 11994.1 Unique )
&rst
ixpk= 11994, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1969,1970,
igr2=1891,1892,
&end
#
# 126 ASN QD2 123 VAL HN 6.00 (# 12014.1 Unique )
&rst
ixpk= 12014, nxpk= 0, iat= -1,1911, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1969,1970,
&end
#
# 126 ASN QD2 123 VAL MG2 6.00 (# 12017.1 Unique )
&rst
ixpk= 12017, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1969,1970,
igr2=1921,1922,1923,
&end
#
# 126 ASN QD2 0 AMB m:12020 3.70 (# 12020.1 Single Ambig [MD1 67 MD2 67] )
&rst
ixpk= 12020, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1969,1970,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 126 ASN QD2 63 GLU QG 6.00 (# 12024.1 Unique; orig = 4.30 )
&rst
ixpk= 12024, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1969,1970,
igr2= 977, 978,
&end
#
# 126 ASN QD2 122 ARG HA 6.00 (# 12033.1 Unique )
&rst
ixpk= 12033, nxpk= 0, iat= -1,1889, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1969,1970,
&end
#
# 126 ASN QD2 123 VAL HN 6.00 (# 12039.1 Unique )
&rst
ixpk= 12039, nxpk= 0, iat= -1,1911, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1969,1970,
&end
#
# 125 ASN HN 121 ALA MB 6.00 (# 12042.1 Unique )
&rst
ixpk= 12042, nxpk= 0, iat=1946, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1881,1882,1883,
&end
#
# 125 ASN HN 128 GLY HN 6.00 (# 12055.1 Unique )
&rst
ixpk= 12055, nxpk= 0, iat=1946,1993, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 125 ASN QD2 124 LEU QB 4.80 (# 12065.1 Unique )
&rst
ixpk= 12065, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1955,1956,
igr2=1931,1932,
&end
#
# 125 ASN QD2 130 SER HA 6.00 (# 12069.1 Unique )
&rst
ixpk= 12069, nxpk= 0, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1955,1956,
&end
#
# 125 ASN QD2 113 ILE HA 6.00 (# 12072.1 Unique )
&rst
ixpk= 12072, nxpk= 0, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1955,1956,
&end
#
# 125 ASN QD2 124 LEU HN 6.00 (# 12081.1 Unique )
&rst
ixpk= 12081, nxpk= 0, iat= -1,1927, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1955,1956,
&end
#
# 125 ASN QD2 131 LEU QB 6.00 (# 12101.1 Unique )
&rst
ixpk= 12101, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1955,1956,
igr2=2031,2032,
&end
#
# 125 ASN QD2 131 LEU HA 6.00 (# 12105.1 Unique )
&rst
ixpk= 12105, nxpk= 0, iat= -1,2029, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1955,1956,
&end
#
# 125 ASN QD2 121 ALA HA 6.00 (# 12108.1 Unique )
&rst
ixpk= 12108, nxpk= 0, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1955,1956,
&end
#
# 125 ASN QD2 130 SER HA 4.50 (# 12111.1 Unique )
&rst
ixpk= 12111, nxpk= 0, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1955,1956,
&end
#
# 125 ASN QD2 125 ASN HN 6.00 (# 12114.1 Unique )
&rst
ixpk= 12114, nxpk= 0, iat= -1,1946, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1955,1956,
&end
#
# 123 VAL HN 122 ARG HE 6.00 (# 12145.1 Unique; orig = 4.90 )
&rst
ixpk= 12145, nxpk= 0, iat=1911,1900, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 114 ARG HN 111 GLY HN 6.00 (# 12154.1 Unique )
&rst
ixpk= 12154, nxpk= 0, iat=1783,1738, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 122 ARG HN 120 ALA HA 6.00 (# 12166.1 Unique )
&rst
ixpk= 12166, nxpk= 0, iat=1887,1869, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 122 ARG HN 119 VAL HN 6.00 (# 12172.1 Unique )
&rst
ixpk= 12172, nxpk= 0, iat=1887,1851, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 120 ALA HN 123 VAL HN 6.00 (# 12189.1 Unique )
&rst
ixpk= 12189, nxpk= 0, iat=1867,1911, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 119 VAL HN 123 VAL MG2 6.00 (# 12201.1 Unique )
&rst
ixpk= 12201, nxpk= 0, iat=1851, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1921,1922,1923,
&end
#
# 119 VAL HN 83 ARG QB 6.00 (# 12204.1 Unique )
&rst
ixpk= 12204, nxpk= 0, iat=1851, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1283,1284,
&end
#
# 120 ALA HN 118 GLY HN 6.00 (# 12210.1 Unique )
&rst
ixpk= 12210, nxpk= 0, iat=1867,1844, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 THR HN 32 GLU HN 4.90 (# 12216.1 Unique )
&rst
ixpk= 12216, nxpk= 0, iat= 482, 496, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 34 ILE HN 32 GLU HN 5.80 (# 12219.1 Unique )
&rst
ixpk= 12219, nxpk= 0, iat= 528, 496, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 35 LEU HN 32 GLU HN 6.00 (# 12222.1 Unique )
&rst
ixpk= 12222, nxpk= 0, iat= 547, 496, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 116 GLY HN 118 GLY HN 6.00 (# 12234.1 Unique )
&rst
ixpk= 12234, nxpk= 0, iat=1822,1844, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 116 GLY HN 121 ALA HN 6.00 (# 12253.1 Unique )
&rst
ixpk= 12253, nxpk= 0, iat=1822,1877, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 111 GLY HN 90 LEU QB 6.00 (# 12259.1 Unique )
&rst
ixpk= 12259, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1411,1412,
&end
#
# 111 GLY HN 94 GLU QG 6.00 (# 12271.1 Unique )
&rst
ixpk= 12271, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1473,1474,
&end
#
# 111 GLY HN 114 ARG QB 6.00 (# 12281.1 Unique )
&rst
ixpk= 12281, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1787,1788,
&end
#
# 111 GLY HN 107 HIS QB 6.00 (# 12285.1 Unique )
&rst
ixpk= 12285, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1668,1669,
&end
#
# 110 LEU HN 107 HIS HD2 6.00 (# 12311.1 Unique )
&rst
ixpk= 12311, nxpk= 0, iat=1719,1677, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 LEU HN 110 LEU QB 6.00 (# 12314.1 Unique )
&rst
ixpk= 12314, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1723,1724,
&end
#
# 109 LEU HN 91 SER QB 6.00 (# 12322.1 Unique )
&rst
ixpk= 12322, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1430,1431,
&end
#
# 108 ILE HN 104 GLY QA 6.00 (# 12343.1 Unique )
&rst
ixpk= 12343, nxpk= 0, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1630,1631,
&end
#
# 108 ILE HN 91 SER HG 6.00 (# 12347.1 Unique )
&rst
ixpk= 12347, nxpk= 0, iat=1681,1433, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 108 ILE HN 107 HIS HD2 6.00 (# 12350.1 Unique )
&rst
ixpk= 12350, nxpk= 0, iat=1681,1677, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 108 ILE HN 105 THR HN 6.00 (# 12353.1 Unique )
&rst
ixpk= 12353, nxpk= 0, iat=1681,1635, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 107 HIS HN 108 ILE HA 6.00 (# 12362.1 Unique )
&rst
ixpk= 12362, nxpk= 0, iat=1664,1683, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 107 HIS HN 91 SER QB 6.00 (# 12365.1 Unique )
&rst
ixpk= 12365, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1430,1431,
&end
#
# 107 HIS HN 95 ALA HA 6.00 (# 12369.1 Unique )
&rst
ixpk= 12369, nxpk= 0, iat=1664,1483, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 105 THR HN 10 ALA MB 4.80 (# 12384.1 Unique )
&rst
ixpk= 12384, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 166, 167, 168,
&end
#
# 105 THR HN 9 ARG QB 6.00 (# 12387.1 Unique )
&rst
ixpk= 12387, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 142, 143,
&end
#
# 105 THR HN 0 AMB m:12391 6.00 (# 12391.1 Single Ambig [QB 9 HB 108] )
&rst
ixpk= 12391, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 142, 143,1685,
&end
#
# 105 THR HN 0 AMB m:12396 5.40 (# 12396.1 Single Ambig [HG1 105 HG1 7] )
&rst
ixpk= 12396, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1645, 119,
&end
#
# 105 THR HN 7 THR HB 6.00 (# 12400.1 Unique )
&rst
ixpk= 12400, nxpk= 0, iat=1635, 113, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 105 THR HN 10 ALA HA 6.00 (# 12406.1 Unique )
&rst
ixpk= 12406, nxpk= 0, iat=1635, 164, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 105 THR HN 9 ARG QB 6.00 (# 12409.1 Unique )
&rst
ixpk= 12409, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 142, 143,
&end
#
# 99 GLY HN 0 AMB m:12419 6.00 (# 12419.1 Single Ambig [MD1 98 MD2 98] )
&rst
ixpk= 12419, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 99 GLY HN 95 ALA HA 6.00 (# 12427.1 Unique )
&rst
ixpk= 12427, nxpk= 0, iat=1556,1483, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 99 GLY HN 100 HIS HA 6.00 (# 12430.1 Unique )
&rst
ixpk= 12430, nxpk= 0, iat=1556,1565, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 GLY HN 59 LYS QB 6.00 (# 12433.1 Unique )
&rst
ixpk= 12433, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 894, 895,
&end
#
# 56 GLY HN 50 LEU QB 6.00 (# 12437.1 Unique )
&rst
ixpk= 12437, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 770, 771,
&end
#
# 56 GLY HN 60 ILE MD 5.80 (# 12447.1 Unique )
&rst
ixpk= 12447, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 925, 926, 927,
&end
#
# 56 GLY HN 0 AMB m:12454 6.00 (# 12454.1 Single Ambig [HA 57 QB 57] )
&rst
ixpk= 12454, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 866, 868, 869,
&end
#
# 42 GLY HN 43 GLU QB 6.00 (# 12475.1 Unique )
&rst
ixpk= 12475, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 677, 678,
&end
#
# 42 GLY HN 43 GLU HA 6.00 (# 12482.1 Unique )
&rst
ixpk= 12482, nxpk= 0, iat= 666, 675, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 GLY HN 44 GLY HN 6.00 (# 12485.1 Unique )
&rst
ixpk= 12485, nxpk= 0, iat= 666, 688, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 GLY HN 23 ARG QB 6.00 (# 12499.1 Unique )
&rst
ixpk= 12499, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 365, 366,
&end
#
# 25 GLY HN 26 HIS HA 6.00 (# 12506.1 Unique )
&rst
ixpk= 12506, nxpk= 0, iat= 404, 413, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 GLY HN 39 VAL MG2 6.00 (# 12515.1 Unique )
&rst
ixpk= 12515, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 621, 622, 623,
&end
#
# 37 GLY HN 16 LEU QB 6.00 (# 12522.1 Unique )
&rst
ixpk= 12522, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 260, 261,
&end
#
# 37 GLY HN 40 ARG QB 6.00 (# 12534.1 Unique )
&rst
ixpk= 12534, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 631, 632,
&end
#
# 37 GLY HN 13 VAL HA 6.00 (# 12538.1 Unique )
&rst
ixpk= 12538, nxpk= 0, iat= 585, 213, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 GLY HN 0 AMB m:12556 6.00 (# 12556.1 Single Ambig [QB 9 QB 43] )
&rst
ixpk= 12556, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 142, 143, 677, 678,
&end
#
# 44 GLY HN 42 GLY QA 6.00 (# 12570.1 Unique )
&rst
ixpk= 12570, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 668, 669,
&end
#
# 54 GLY HN 55 LEU QB 6.00 (# 12581.1 Unique )
&rst
ixpk= 12581, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 842, 843,
&end
#
# 69 GLY HN 65 GLU QG 4.90 (# 12599.1 Unique )
&rst
ixpk= 12599, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1008,1009,
&end
#
# 31 THR HN 112 LEU MD2 6.00 (# 12648.1 Unique )
&rst
ixpk= 12648, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1758,1759,1760,
&end
#
# 31 THR HN 83 ARG QB 6.00 (# 12654.1 Unique )
&rst
ixpk= 12654, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1283,1284,
&end
#
# 31 THR HN 84 ALA HA 6.00 (# 12666.1 Unique )
&rst
ixpk= 12666, nxpk= 0, iat= 482,1305, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 81 THR HN 29 ILE QG1 6.00 (# 12679.1 Unique; orig = 4.80 )
&rst
ixpk= 12679, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 466, 467,
&end
#
# 81 THR HN 78 ILE MG2 6.00 (# 12683.1 Unique; orig = 5.00 )
&rst
ixpk= 12683, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1200,1201,1202,
&end
#
# 81 THR HN 85 LYS QB 6.00 (# 12690.1 Unique )
&rst
ixpk= 12690, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1317,1318,
&end
#
# 81 THR HN 84 ALA HA 6.00 (# 12698.1 Unique )
&rst
ixpk= 12698, nxpk= 0, iat=1251,1305, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 121 ALA HN 123 VAL HB 6.00 (# 12713.1 Unique )
&rst
ixpk= 12713, nxpk= 0, iat=1877,1915, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 ILE HN 33 HIS HA 4.30 (# 12719.1 Unique )
&rst
ixpk= 12719, nxpk= 0, iat= 528, 513, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 34 ILE HN 31 THR HN 6.00 (# 12725.1 Unique )
&rst
ixpk= 12725, nxpk= 0, iat= 528, 482, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 103 VAL HN 95 ALA MB 6.00 (# 12739.1 Unique )
&rst
ixpk= 12739, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1485,1486,1487,
&end
#
# 103 VAL HN 0 AMB m:12755 6.00 (# 12755.1 Single Ambig [QB 6 QB 107] )
&rst
ixpk= 12755, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 93, 94,1668,1669,
&end
#
# 101 SER HN 95 ALA MB 6.00 (# 12790.1 Unique )
&rst
ixpk= 12790, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1485,1486,1487,
&end
#
# 101 SER HN 99 GLY QA 6.00 (# 12800.1 Unique; orig = 4.50 )
&rst
ixpk= 12800, nxpk= 0, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1558,1559,
&end
#
# 97 LYS HN 98 LEU HA 6.00 (# 12876.1 Unique )
&rst
ixpk= 12876, nxpk= 0, iat=1515,1539, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 97 LYS HN 96 ARG HA 4.70 (# 12879.1 Unique )
&rst
ixpk= 12879, nxpk= 0, iat=1515,1493, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 96 ARG HN 97 LYS QB 6.00 (# 12891.1 Unique )
&rst
ixpk= 12891, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1519,1520,
&end
#
# 96 ARG HN 107 HIS HD2 6.00 (# 12901.1 Unique )
&rst
ixpk= 12901, nxpk= 0, iat=1491,1677, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 ARG HN 94 GLU HN 5.60 (# 12913.1 Unique )
&rst
ixpk= 12913, nxpk= 0, iat=1491,1466, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 94 GLU HN 90 LEU QB 6.00 (# 12916.1 Unique )
&rst
ixpk= 12916, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1411,1412,
&end
#
# 92 MET HN 90 LEU QB 6.00 (# 12930.1 Unique )
&rst
ixpk= 12930, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1411,1412,
&end
#
# 92 MET HN 89 GLU HN 6.00 (# 12948.1 Unique )
&rst
ixpk= 12948, nxpk= 0, iat=1437,1392, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 88 ILE HN 80 TYR HD 6.00 (# 12998.1 Unique )
&rst
ixpk= 12998, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1238,1247,
&end
#
# 87 VAL HN 88 ILE MD 6.00 (# 13004.1 Unique )
&rst
ixpk= 13004, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1386,1387,1388,
&end
#
# 87 VAL HN 88 ILE MG2 6.00 (# 13007.1 Unique )
&rst
ixpk= 13007, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1379,1380,1381,
&end
#
# 87 VAL HN 86 LYS QB 6.00 (# 13018.1 Unique )
&rst
ixpk= 13018, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1339,1340,
&end
#
# 87 VAL HN 90 LEU HN 6.00 (# 13029.1 Unique )
&rst
ixpk= 13029, nxpk= 0, iat=1357,1407, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 86 LYS HN 0 AMB m:13039 6.00 (# 13039.1 Single Ambig [QB 86 QB 85] )
&rst
ixpk= 13039, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1339,1340,1317,1318,
&end
#
# 86 LYS HN 83 ARG QB 5.80 (# 13045.1 Unique )
&rst
ixpk= 13045, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1283,1284,
&end
#
# 86 LYS HN 86 LYS QB 6.00 (# 13051.1 Unique )
&rst
ixpk= 13051, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1339,1340,
&end
#
# 86 LYS HN 87 VAL HA 6.00 (# 13055.1 Unique )
&rst
ixpk= 13055, nxpk= 0, iat=1335,1359, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 86 LYS HN 82 PRO HA 4.50 (# 13058.1 Unique; orig = 3.60 )
&rst
ixpk= 13058, nxpk= 0, iat=1335,1275, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 LYS HN 83 ARG QB 6.00 (# 13069.1 Unique )
&rst
ixpk= 13069, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1283,1284,
&end
#
# 85 LYS HN 86 LYS QB 6.00 (# 13081.1 Unique )
&rst
ixpk= 13081, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1339,1340,
&end
#
# 85 LYS HN 83 ARG HA 5.80 (# 13085.1 Unique )
&rst
ixpk= 13085, nxpk= 0, iat=1313,1281, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 85 LYS HN 81 THR HG1 6.00 (# 13088.1 Unique )
&rst
ixpk= 13088, nxpk= 0, iat=1313,1261, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 78 ILE HN 22 LEU MD2 6.00 (# 13100.1 Unique )
&rst
ixpk= 13100, nxpk= 0, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 355, 356, 357,
&end
#
# 78 ILE HN 27 ASN QB 6.00 (# 13107.1 Unique )
&rst
ixpk= 13107, nxpk= 0, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 432, 433,
&end
#
# 78 ILE HN 18 GLN QE2 6.00 (# 13124.1 Unique )
&rst
ixpk= 13124, nxpk= 0, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 297, 298,
&end
#
# 78 ILE HN 18 GLN QE2 6.00 (# 13127.1 Unique )
&rst
ixpk= 13127, nxpk= 0, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 297, 298,
&end
#
# 80 TYR HN 78 ILE MG2 6.00 (# 13133.1 Unique )
&rst
ixpk= 13133, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1200,1201,1202,
&end
#
# 80 TYR HN 0 AMB m:13136 6.00 (# 13136.1 Single Ambig [HB 29 MG2 81 QB 85] )
&rst
ixpk= 13136, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 460,1257,1258,1259,1317,1318,
&end
#
# 80 TYR HN 28 ASN HA 6.00 (# 13145.1 Unique )
&rst
ixpk= 13145, nxpk= 0, iat=1230, 444, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 79 HIS HN 78 ILE QG1 5.40 (# 13163.1 Unique )
&rst
ixpk= 13163, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1204,1205,
&end
#
# 79 HIS HN 27 ASN QB 5.40 (# 13167.1 Unique )
&rst
ixpk= 13167, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 432, 433,
&end
#
# 79 HIS HN 28 ASN QB 6.00 (# 13170.1 Unique )
&rst
ixpk= 13170, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 446, 447,
&end
#
# 79 HIS HN 80 TYR HD 6.00 (# 13177.1 Unique )
&rst
ixpk= 13177, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1238,1247,
&end
#
# 79 HIS HN 28 ASN HN 6.00 (# 13183.1 Unique )
&rst
ixpk= 13183, nxpk= 0, iat=1213, 442, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 76 GLN HN 78 ILE MD 6.00 (# 13246.1 Unique )
&rst
ixpk= 13246, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1207,1208,1209,
&end
#
# 75 SER HN 0 AMB m:13271 6.00 (# 13271.1 Single Ambig [MD2 22 MD1 22] )
&rst
ixpk= 13271, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 355, 356, 357, 351, 352, 353,
&end
#
# 75 SER HN 27 ASN QD2 6.00 (# 13289.1 Unique )
&rst
ixpk= 13289, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 437, 438,
&end
#
# 75 SER HN 27 ASN QD2 4.50 (# 13292.1 Unique )
&rst
ixpk= 13292, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 437, 438,
&end
#
# 74 MET HN 27 ASN QB 6.00 (# 13301.1 Unique )
&rst
ixpk= 13301, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 432, 433,
&end
#
# 72 GLN HN 26 HIS HA 5.40 (# 13315.1 Unique )
&rst
ixpk= 13315, nxpk= 0, iat=1103, 413, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 70 ARG HN 24 LEU MD2 6.00 (# 13322.1 Unique )
&rst
ixpk= 13322, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 398, 399, 400,
&end
#
# 65 GLU HN 68 ILE QG1 6.00 (# 13392.1 Unique )
&rst
ixpk= 13392, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1056,1057,
&end
#
# 61 GLN HN 58 GLU HN 6.00 (# 13459.1 Unique )
&rst
ixpk= 13459, nxpk= 0, iat= 931, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 61 GLN HN 0 AMB m:13462 6.00 (# 13462.1 Single Ambig [HN 64 HN 65] )
&rst
ixpk= 13462, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 985,1001,
&end
#
# 60 ILE HN 59 LYS QB 6.00 (# 13476.1 Unique )
&rst
ixpk= 13476, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 894, 895,
&end
#
# 60 ILE HN 56 GLY QA 6.00 (# 13486.1 Unique )
&rst
ixpk= 13486, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 859, 860,
&end
#
# 60 ILE HN 62 LYS HN 5.40 (# 13492.1 Unique )
&rst
ixpk= 13492, nxpk= 0, iat= 912, 948, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 58 GLU HN 62 LYS HN 6.00 (# 13552.1 Unique )
&rst
ixpk= 13552, nxpk= 0, iat= 875, 948, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 ALA HN 53 LEU MD1 6.00 (# 13589.1 Unique )
&rst
ixpk= 13589, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 821, 822, 823,
&end
#
# 52 ALA HN 53 LEU QB 6.00 (# 13595.1 Unique )
&rst
ixpk= 13595, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 816, 817,
&end
#
# 52 ALA HN 48 LYS QB 6.00 (# 13599.1 Unique )
&rst
ixpk= 13599, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 738, 739,
&end
#
# 49 ALA HN 137 GLN QB 6.00 (# 13627.1 Unique )
&rst
ixpk= 13627, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2137,2138,
&end
#
# 47 ALA HN 38 LEU HA 6.00 (# 13653.1 Unique )
&rst
ixpk= 13653, nxpk= 0, iat= 724, 594, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 46 ALA HN 0 AMB m:13686 6.00 (# 13686.1 Single Ambig [HN 107 HN 42] )
&rst
ixpk= 13686, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1664, 666,
&end
#
# 46 ALA HN 109 LEU HN 6.00 (# 13699.1 Unique )
&rst
ixpk= 13699, nxpk= 0, iat= 714,1700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 ILE HN 48 LYS HN 6.00 (# 13716.1 Unique )
&rst
ixpk= 13716, nxpk= 0, iat= 695, 734, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 GLU HN 40 ARG QB 6.00 (# 13742.1 Unique )
&rst
ixpk= 13742, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 631, 632,
&end
#
# 41 GLU HN 13 VAL HA 6.00 (# 13746.1 Unique )
&rst
ixpk= 13746, nxpk= 0, iat= 651, 213, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 GLU HN 38 LEU HN 6.00 (# 13756.1 Unique )
&rst
ixpk= 13756, nxpk= 0, iat= 651, 592, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 ARG HN 37 GLY QA 6.00 (# 13769.1 Unique )
&rst
ixpk= 13769, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 587, 588,
&end
#
# 40 ARG HN 42 GLY HN 5.80 (# 13784.1 Unique )
&rst
ixpk= 13784, nxpk= 0, iat= 627, 666, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 38 LEU HN 13 VAL HB 6.00 (# 13797.1 Unique )
&rst
ixpk= 13797, nxpk= 0, iat= 592, 215, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 LEU HN 17 ALA MB 4.50 (# 13803.1 Unique; orig = 3.40 )
&rst
ixpk= 13803, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 279, 280, 281,
&end
#
# 36 LEU HN 33 HIS QB 6.00 (# 13824.1 Unique )
&rst
ixpk= 13824, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 515, 516,
&end
#
# 36 LEU HN 38 LEU HN 5.40 (# 13840.1 Unique )
&rst
ixpk= 13840, nxpk= 0, iat= 566, 592, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 33 HIS HN 0 AMB m:13843 2.30 (# 13843.1 Single Ambig [QG 32 QB 32] )
&rst
ixpk= 13843, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr2= 503, 504, 500, 501,
&end
#
# 33 HIS HN 30 GLY QA 6.00 (# 13848.1 Unique )
&rst
ixpk= 13848, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 477, 478,
&end
#
# 29 ILE HN 79 HIS QB 6.00 (# 13869.1 Unique )
&rst
ixpk= 13869, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1217,1218,
&end
#
# 28 ASN HN 0 AMB m:13885 5.40 (# 13885.1 Single Ambig [MD 78 MG2 78] )
&rst
ixpk= 13885, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2=1207,1208,1209,1200,1201,1202,
&end
#
# 28 ASN HN 21 ALA HA 6.00 (# 13895.1 Unique )
&rst
ixpk= 13895, nxpk= 0, iat= 442, 334, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 ASN HN 28 ASN HA 6.00 (# 13908.1 Unique )
&rst
ixpk= 13908, nxpk= 0, iat= 428, 444, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 ASN HN 73 GLU HA 6.00 (# 13911.1 Unique )
&rst
ixpk= 13911, nxpk= 0, iat= 428,1122, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 ASN HN 26 HIS HD2 6.00 (# 13914.1 Unique )
&rst
ixpk= 13914, nxpk= 0, iat= 428, 424, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 ASN HN 0 AMB m:13917 6.00 (# 13917.1 Single Ambig [QD2 27 QE2 76] )
&rst
ixpk= 13917, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 437, 438,1175,1176,
&end
#
# 26 HIS HN 71 GLY QA 6.00 (# 13939.1 Unique )
&rst
ixpk= 13939, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1098,1099,
&end
#
# 24 LEU HN 26 HIS QB 6.00 (# 13950.1 Unique )
&rst
ixpk= 13950, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 415, 416,
&end
#
# 22 LEU HN 0 AMB m:13994 6.00 (# 13994.1 Single Ambig [QA 25 QB 33] )
&rst
ixpk= 13994, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 406, 407, 515, 516,
&end
#
# 22 LEU HN 18 GLN HN 6.00 (# 14012.1 Unique )
&rst
ixpk= 14012, nxpk= 0, iat= 342, 285, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 21 ALA HN 29 ILE QG1 6.00 (# 14021.1 Unique )
&rst
ixpk= 14021, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 466, 467,
&end
#
# 21 ALA HN 26 HIS QB 6.00 (# 14032.1 Unique )
&rst
ixpk= 14032, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 415, 416,
&end
#
# 21 ALA HN 23 ARG HN 5.80 (# 14036.1 Unique )
&rst
ixpk= 14036, nxpk= 0, iat= 332, 361, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 20 GLU HN 37 GLY QA 6.00 (# 14063.1 Unique )
&rst
ixpk= 14063, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 587, 588,
&end
#
# 20 GLU HN 33 HIS HD2 6.00 (# 14073.1 Unique )
&rst
ixpk= 14073, nxpk= 0, iat= 317, 524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 GLU HN 17 ALA MB 6.00 (# 14083.1 Unique )
&rst
ixpk= 14083, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 279, 280, 281,
&end
#
# 19 GLU HN 23 ARG HN 6.00 (# 14096.1 Unique )
&rst
ixpk= 14096, nxpk= 0, iat= 302, 361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 GLN HN 16 LEU QB 6.00 (# 14109.1 Unique )
&rst
ixpk= 14109, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 260, 261,
&end
#
# 18 GLN HN 0 AMB m:14113 6.00 (# 14113.1 Single Ambig [HA 34 QA 37] )
&rst
ixpk= 14113, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 530, 587, 588,
&end
#
# 17 ALA HN 0 AMB m:14143 6.00 (# 14143.1 Single Ambig [QB 33 QB 40] )
&rst
ixpk= 14143, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 515, 516, 631, 632,
&end
#
# 15 ALA HN 16 LEU QB 6.00 (# 14183.1 Unique )
&rst
ixpk= 14183, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 260, 261,
&end
#
# 14 LEU HN 17 ALA MB 6.00 (# 14213.1 Unique )
&rst
ixpk= 14213, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 279, 280, 281,
&end
#
# 14 LEU HN 11 GLN HN 6.00 (# 14216.1 Unique )
&rst
ixpk= 14216, nxpk= 0, iat= 227, 172, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 GLN HN 7 THR HB 6.00 (# 14239.1 Unique; orig = 4.70 )
&rst
ixpk= 14239, nxpk= 0, iat= 172, 113, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 5 ARG HN 6 PHE HA 6.00 (# 14267.1 Unique )
&rst
ixpk= 14267, nxpk= 0, iat= 65, 91, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 VAL HN 105 THR MG2 6.00 (# 14273.1 Unique )
&rst
ixpk= 14273, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1641,1642,1643,
&end
#
# 13 VAL HN 13 VAL MG2 3.40 (# 14276.1 Unique )
&rst
ixpk= 14276, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 221, 222, 223,
&end
#
# 43 GLU HN 13 VAL MG1 6.00 (# 14291.1 Unique )
&rst
ixpk= 14291, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 217, 218, 219,
&end
#
# 43 GLU HN 47 ALA HN 6.00 (# 14298.1 Unique )
&rst
ixpk= 14298, nxpk= 0, iat= 673, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 91 SER HN 103 VAL MG2 6.00 (# 14326.1 Unique )
&rst
ixpk= 14326, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1622,1623,1624,
&end
#
# 91 SER HN 88 ILE HN 6.00 (# 14338.1 Unique )
&rst
ixpk= 14338, nxpk= 0, iat=1426,1373, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 93 ASP HN 103 VAL MG1 6.00 (# 14344.1 Unique )
&rst
ixpk= 14344, nxpk= 0, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1618,1619,1620,
&end
#
# 93 ASP HN 91 SER HG 6.00 (# 14351.1 Unique )
&rst
ixpk= 14351, nxpk= 0, iat=1454,1433, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 93 ASP HN 90 LEU HN 6.00 (# 14354.1 Unique )
&rst
ixpk= 14354, nxpk= 0, iat=1454,1407, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 95 ALA HN 94 GLU QB 3.10 (# 14367.1 Unique )
&rst
ixpk= 14367, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1470,1471,
&end
#
# 113 ILE HN 111 GLY HN 6.00 (# 14378.1 Unique )
&rst
ixpk= 14378, nxpk= 0, iat=1764,1738, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 113 ILE HN 116 GLY HN 6.00 (# 14381.1 Unique )
&rst
ixpk= 14381, nxpk= 0, iat=1764,1822, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 GLU HN 114 ARG QB 6.00 (# 14384.1 Unique )
&rst
ixpk= 14384, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1787,1788,
&end
#
# 115 GLU HN 111 GLY QA 5.40 (# 14387.1 Unique )
&rst
ixpk= 14387, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1740,1741,
&end
#
# 11 GLN QE2 10 ALA MB 6.00 (# 14422.1 Unique )
&rst
ixpk= 14422, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 184, 185,
igr2= 166, 167, 168,
&end
#
# 11 GLN QE2 11 GLN HA 5.80 (# 14425.1 Unique )
&rst
ixpk= 14425, nxpk= 0, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 184, 185,
&end
#
# 11 GLN QE2 6 PHE HA 6.00 (# 14428.1 Unique )
&rst
ixpk= 14428, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 184, 185,
&end
#
# 18 GLN QE2 18 GLN HA 6.00 (# 14437.1 Unique )
&rst
ixpk= 14437, nxpk= 0, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 297, 298,
&end
#
# 18 GLN QE2 19 GLU HA 6.00 (# 14440.1 Unique )
&rst
ixpk= 14440, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 297, 298,
&end
#
# 18 GLN QE2 77 THR HA 6.00 (# 14446.1 Unique )
&rst
ixpk= 14446, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 297, 298,
&end
#
# 18 GLN QE2 78 ILE HA 6.00 (# 14449.1 Unique )
&rst
ixpk= 14449, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 297, 298,
&end
#
# 51 GLN QE2 47 ALA MB 6.00 (# 14463.1 Unique )
&rst
ixpk= 14463, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 797, 798,
igr2= 728, 729, 730,
&end
#
# 15 ALA HN 29 ILE MD 6.00 (# 14469.1 Unique )
&rst
ixpk= 14469, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 469, 470, 471,
&end
#
# 76 GLN QE2 76 GLN HN 6.00 (# 14481.1 Unique )
&rst
ixpk= 14481, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1175,1176,
&end
#
# 96 ARG HE 96 ARG QB 6.00 (# 14498.1 Unique )
&rst
ixpk= 14498, nxpk= 0, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1495,1496,
&end
#
# 51 GLN HN 49 ALA HN 6.00 (# 14519.1 Unique )
&rst
ixpk= 14519, nxpk= 0, iat= 785, 756, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 62 LYS HN 62 LYS QB 6.00 (# 14536.1 Unique )
&rst
ixpk= 14536, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 952, 953,
&end
#
# 62 LYS HN 61 GLN QB 6.00 (# 14540.1 Unique )
&rst
ixpk= 14540, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 935, 936,
&end
#
# 27 ASN QD2 78 ILE MD 6.00 (# 14548.1 Unique )
&rst
ixpk= 14548, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 437, 438,
igr2=1207,1208,1209,
&end
#
# 27 ASN QD2 74 MET QB 6.00 (# 14561.1 Unique )
&rst
ixpk= 14561, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 437, 438,
igr2=1139,1140,
&end
#
# 27 ASN QD2 27 ASN HA 4.30 (# 14569.1 Unique )
&rst
ixpk= 14569, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 437, 438,
&end
#
# 27 ASN QD2 78 ILE MD 6.00 (# 14592.1 Unique )
&rst
ixpk= 14592, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 437, 438,
igr2=1207,1208,1209,
&end
#
# 136 GLN QE2 136 GLN HA 6.00 (# 14599.1 Unique )
&rst
ixpk= 14599, nxpk= 0, iat= -1,2118, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2128,2129,
&end
#
# 28 ASN QD2 27 ASN QB 6.00 (# 14612.1 Unique )
&rst
ixpk= 14612, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 451, 452,
igr2= 432, 433,
&end
#
# 28 ASN QD2 27 ASN HN 5.80 (# 14624.1 Unique )
&rst
ixpk= 14624, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 451, 452,
&end
#
# 28 ASN QD2 27 ASN HN 5.80 (# 14630.1 Unique )
&rst
ixpk= 14630, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 451, 452,
&end
#
# 28 ASN QD2 79 HIS HN 6.00 (# 14633.1 Unique; orig = 4.90 )
&rst
ixpk= 14633, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 451, 452,
&end
#
# 28 ASN QD2 0 AMB m:14646 6.00 (# 14646.1 Single Ambig [MD 78 MG2 78]; orig = 5.20 )
&rst
ixpk= 14646, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 451, 452,
igr2=1207,1208,1209,1200,1201,1202,
&end
#
# 145 ASN QD2 141 LEU MD1 6.00 (# 14656.1 Unique; orig = 4.30 )
&rst
ixpk= 14656, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2267,2268,
igr2=2211,2212,2213,
&end
#
# 11 GLN QE2 5 ARG QB 6.00 (# 14659.1 Unique; orig = 5.40 )
&rst
ixpk= 14659, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 184, 185,
igr2= 69, 70,
&end
#
# 11 GLN QE2 8 GLU QG 6.00 (# 14663.1 Unique )
&rst
ixpk= 14663, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 184, 185,
igr2= 130, 131,
&end
#
# 11 GLN QE2 0 AMB m:14666 6.00 (# 14666.1 Single Ambig [HA 7 HA 5] )
&rst
ixpk= 14666, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 184, 185,
igr2= 111, 67,
&end
#
# 18 GLN QE2 0 AMB m:14680 6.00 (# 14680.1 Single Ambig [HN 22 HN 21] )
&rst
ixpk= 14680, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 297, 298,
igr2= 342, 332,
&end
#
# 18 GLN QE2 22 LEU QB 6.00 (# 14688.1 Unique )
&rst
ixpk= 14688, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 297, 298,
igr2= 346, 347,
&end
#
# 18 GLN QE2 78 ILE HB 6.00 (# 14695.1 Unique )
&rst
ixpk= 14695, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 297, 298,
&end
#
# 18 GLN QE2 77 THR HA 6.00 (# 14701.1 Unique )
&rst
ixpk= 14701, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 297, 298,
&end
#
# 61 GLN QE2 60 ILE MG2 6.00 (# 14707.1 Unique )
&rst
ixpk= 14707, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 943, 944,
igr2= 918, 919, 920,
&end
#
# 61 GLN QE2 39 VAL MG1 6.00 (# 14724.1 Unique; orig = 3.80 )
&rst
ixpk= 14724, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 943, 944,
igr2= 617, 618, 619,
&end
#
# 61 GLN QE2 40 ARG QB 6.00 (# 14730.1 Unique )
&rst
ixpk= 14730, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 943, 944,
igr2= 631, 632,
&end
#
# 61 GLN QE2 61 GLN HA 6.00 (# 14734.1 Unique )
&rst
ixpk= 14734, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 943, 944,
&end
#
# 72 GLN QE2 68 ILE MG2 6.00 (# 14740.1 Unique; orig = 4.50 )
&rst
ixpk= 14740, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1115,1116,
igr2=1052,1053,1054,
&end
#
# 72 GLN QE2 72 GLN QB 6.00 (# 14776.1 Unique )
&rst
ixpk= 14776, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1115,1116,
igr2=1107,1108,
&end
#
# 76 GLN QE2 0 AMB m:14784 6.00 (# 14784.1 Single Ambig [QB 76 QB 74] )
&rst
ixpk= 14784, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1175,1176,
igr2=1167,1168,1139,1140,
&end
#
# 136 GLN QE2 136 GLN QB 5.80 (# 14795.1 Unique )
&rst
ixpk= 14795, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1=2128,2129,
igr2=2120,2121,
&end
#
# 136 GLN QE2 136 GLN HN 6.00 (# 14802.1 Unique )
&rst
ixpk= 14802, nxpk= 0, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2128,2129,
&end
#
# 137 GLN QE2 138 VAL HA 6.00 (# 14812.1 Unique )
&rst
ixpk= 14812, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2145,2146,
&end
#
# 137 GLN QE2 49 ALA HA 5.80 (# 14815.1 Unique )
&rst
ixpk= 14815, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=2145,2146,
&end
#
# 137 GLN QE2 141 LEU HA 6.00 (# 14818.1 Unique )
&rst
ixpk= 14818, nxpk= 0, iat= -1,2204, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2145,2146,
&end
#
# 137 GLN QE2 140 GLN QE2 6.00 (# 14824.1 Unique )
&rst
ixpk= 14824, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2145,2146,
igr2=2197,2198,
&end
#
# 137 GLN QE2 140 GLN QE2 6.00 (# 14843.1 Unique )
&rst
ixpk= 14843, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2145,2146,
igr2=2197,2198,
&end
#
# 11 GLN QE2 11 GLN HN 6.00 (# 14852.1 Unique )
&rst
ixpk= 14852, nxpk= 0, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 184, 185,
&end
#
# 11 GLN QE2 5 ARG QB 6.00 (# 14855.1 Unique )
&rst
ixpk= 14855, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 184, 185,
igr2= 69, 70,
&end
#
# 11 GLN QE2 11 GLN HA 6.00 (# 14866.1 Unique )
&rst
ixpk= 14866, nxpk= 0, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 184, 185,
&end
#
# 7 THR HN 7 THR HG1 4.90 (# 14873.1 Unique )
&rst
ixpk= 14873, nxpk= 0, iat= 109, 119, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 13 VAL HN 14 LEU MD1 6.00 (# 14879.1 Unique )
&rst
ixpk= 14879, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 236, 237, 238,
&end
#
# 51 GLN QE2 57 SER HN 6.00 (# 14882.1 Unique )
&rst
ixpk= 14882, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 797, 798,
&end
#
# 122 ARG HE 122 ARG QB 5.40 (# 14885.1 Unique )
&rst
ixpk= 14885, nxpk= 0, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1891,1892,
&end
#
# 122 ARG HE 117 GLU HA 4.90 (# 14898.1 Unique )
&rst
ixpk= 14898, nxpk= 0, iat=1900,1831, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 122 ARG HE 0 AMB m:14901 6.00 (# 14901.1 Single Ambig [MD2 67 MD1 67] )
&rst
ixpk= 14901, nxpk= 0, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1040,1041,1042,1036,1037,1038,
&end
#
# 122 ARG HE 121 ALA MB 6.00 (# 14908.1 Unique; orig = 5.40 )
&rst
ixpk= 14908, nxpk= 0, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1881,1882,1883,
&end
#
# 135 ARG HE 135 ARG QB 5.80 (# 14911.1 Unique )
&rst
ixpk= 14911, nxpk= 0, iat=2105, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=2096,2097,
&end
#
# 114 ARG HE 114 ARG QB 6.00 (# 14927.1 Unique )
&rst
ixpk= 14927, nxpk= 0, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1787,1788,
&end
#
# 83 ARG HE 83 ARG QB 6.00 (# 14942.1 Unique )
&rst
ixpk= 14942, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1283,1284,
&end
#
# 83 ARG HE 83 ARG QB 6.00 (# 14948.1 Unique )
&rst
ixpk= 14948, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1283,1284,
&end
#
# 40 ARG HE 0 AMB m:14959 6.00 (# 14959.1 Single Ambig [MD1 16 MD2 16] )
&rst
ixpk= 14959, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 265, 266, 267, 269, 270, 271,
&end
#
# 72 GLN QE2 72 GLN HA 6.00 (# 14966.1 Unique; orig = 4.30 )
&rst
ixpk= 14966, nxpk= 0, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1115,1116,
&end
#
# 49 ALA HN 0 AMB m:14972 5.80 (# 14972.1 Single Ambig [MD2 109 MG1 138 MD 45 MD1 53] )
&rst
ixpk= 14972, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr2=1713,1714,1715,2156,2157,2158, 708, 709, 710, 821,
822, 823,
&end
#
# 17 ALA HN 0 AMB m:14981 5.80 (# 14981.1 Single Ambig [QB 18 QB 20 QG 19] )
&rst
ixpk= 14981, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr2= 289, 290, 321, 322, 309, 310,
&end
#
# 131 LEU HN 0 AMB m:14987 2.80 (# 14987.1 Single Ambig [HG 131 QB 131] )
&rst
ixpk= 14987, nxpk= 0, iat=2027, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2034,2031,2032,
&end
#
# 17 ALA HN 0 AMB m:14991 5.80 (# 14991.1 Single Ambig [MB 15 QB 14] )
&rst
ixpk= 14991, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
igr2= 250, 251, 252, 231, 232,
&end
#
# 73 GLU HN 0 AMB m:14998 6.00 (# 14998.1 Single Ambig [QA 25 QA 71]; orig = 4.40 )
&rst
ixpk= 14998, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 406, 407,1098,1099,
&end
#
# 55 LEU HN 0 AMB m:15005 4.70 (# 15005.1 Single Ambig [QB 53 QB 50 HG 53 QB 59] )
&rst
ixpk= 15005, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 816, 817, 770, 771, 819, 894, 895,
&end
#
# 38 LEU HN 0 AMB m:15011 6.00 (# 15011.1 Single Ambig [QB 35 HG 35 MB 46 MG2 105] )
&rst
ixpk= 15011, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 551, 552, 554, 718, 719, 720,1641,1642,1643,
&end
#
# 126 ASN HN 0 AMB m:15017 5.80 (# 15017.1 Single Ambig [MD2 127 MG1 123 MD2 55 MD1 67 MG2 129] )
&rst
ixpk= 15017, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 9.11, r4= 9.61,
igr2=1987,1988,1989,1917,1918,1919, 851, 852, 853,1036,
1037,1038,2010,2011,2012,
&end
#
# 58 GLU HN 0 AMB m:15024 6.00 (# 15024.1 Single Ambig [QB 61 HB 39] )
&rst
ixpk= 15024, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 935, 936, 615,
&end
#
# 33 HIS HN 0 AMB m:15028 6.00 (# 15028.1 Single Ambig [MG2 31 MG2 81 HB 29 MB 120] )
&rst
ixpk= 15028, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr2= 488, 489, 490,1257,1258,1259, 460,1871,1872,1873,
&end
#
# 134 ALA HN 0 AMB m:15034 5.20 (# 15034.1 Single Ambig [MG2 113 MD2 53 MG2 138] )
&rst
ixpk= 15034, nxpk= 0, iat=2082, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr2=1770,1771,1772, 825, 826, 827,2160,2161,2162,
&end
#
# 107 HIS HN 0 AMB m:15039 6.00 (# 15039.1 Single Ambig [MD1 110 MD2 139 MD2 142 MG2 138] )
&rst
ixpk= 15039, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2=1728,1729,1730,2179,2180,2181,2234,2235,2236,2160,
2161,2162,
&end
#
# 112 LEU HN 0 AMB m:15045 3.60 (# 15045.1 Single Ambig [MD1 112 MG1 87 MD1 109 QG1 113] )
&rst
ixpk= 15045, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1754,1755,1756,1363,1364,1365,1709,1710,1711,1774,
1775,
&end
#
# 134 ALA HN 113 ILE MD 5.60 (# 15054.1 Unique )
&rst
ixpk= 15054, nxpk= 0, iat=2082, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1777,1778,1779,
&end
#
# 0 AMB m:15057a 0 AMB m:15057b 6.00 (# 15057.1 Double Ambig [HN 93 HN 95] [MD2 90 MD1 98 MD1 90 MD1 139 MG1 87] )
&rst
ixpk= 15057, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1=1454,1481,
igr2=1420,1421,1422,1546,1547,1548,1416,1417,1418,2175,
2176,2177,1363,1364,1365,
&end
#
# 107 HIS HN 0 AMB m:15064 5.80 (# 15064.1 Single Ambig [MG1 138 MB 95 MD 108 MG2 45 MD2 38] )
&rst
ixpk= 15064, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 9.11, r4= 9.61,
igr2=2156,2157,2158,1485,1486,1487,1694,1695,1696, 701,
702, 703, 605, 606, 607,
&end
#
# 107 HIS HN 0 AMB m:15071 6.00 (# 15071.1 Single Ambig [MG1 103 MD2 110] )
&rst
ixpk= 15071, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1618,1619,1620,1732,1733,1734,
&end
#
# 20 GLU HN 0 AMB m:15075 3.00 (# 15075.1 Single Ambig [QG 20 QG 19] )
&rst
ixpk= 15075, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 324, 325, 309, 310,
&end
#
# 63 GLU HN 0 AMB m:15087 5.30 (# 15087.1 Single Ambig [MG1 123 MD2 127 MD1 67 MD1 36 MG1 64] )
&rst
ixpk= 15087, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1917,1918,1919,1987,1988,1989,1036,1037,1038, 575,
576, 577, 991, 992, 993,
&end
#
# 140 GLN HN 0 AMB m:15100 4.80 (# 15100.1 Single Ambig [MD2 142 MD2 139 MD1 142 MD1 141] )
&rst
ixpk= 15100, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr2=2234,2235,2236,2179,2180,2181,2230,2231,2232,2211,
2212,2213,
&end
#
# 91 SER HN 0 AMB m:15106 5.00 (# 15106.1 Single Ambig [MG1 87 MD1 90] )
&rst
ixpk= 15106, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1363,1364,1365,1416,1417,1418,
&end
#
# 19 GLU HN 0 AMB m:15110 5.40 (# 15110.1 Single Ambig [MD2 22 MD1 22 MD2 16] )
&rst
ixpk= 15110, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr2= 355, 356, 357, 351, 352, 353, 269, 270, 271,
&end
#
# 109 LEU HN 0 AMB m:15115 3.40 (# 15115.1 Single Ambig [MD1 38 MD1 109 MD1 112 MD2 38 MG1 138] )
&rst
ixpk= 15115, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 601, 602, 603,1709,1710,1711,1754,1755,1756, 605,
606, 607,2156,2157,2158,
&end
#
# 102 TYR HN 95 ALA MB 5.10 (# 15122.1 Unique )
&rst
ixpk= 15122, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1485,1486,1487,
&end
#
# 130 SER HN 0 AMB m:15125 2.80 (# 15125.1 Single Ambig [MG1 129 MG2 129] )
&rst
ixpk= 15125, nxpk= 0, iat=2016, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2006,2007,2008,2010,2011,2012,
&end
#
# 94 GLU HN 0 AMB m:15129 6.00 (# 15129.1 Single Ambig [QB 97 QB 114] )
&rst
ixpk= 15129, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1519,1520,1787,1788,
&end
#
# 45 ILE HN 0 AMB m:15138 3.60 (# 15138.1 Single Ambig [HB 45 QB 142] )
&rst
ixpk= 15138, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 699,2225,2226,
&end
#
# 94 GLU HN 0 AMB m:15142 6.00 (# 15142.1 Single Ambig [MD1 110 MD2 139] )
&rst
ixpk= 15142, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1728,1729,1730,2179,2180,2181,
&end
#
# 139 LEU HN 0 AMB m:15146 3.80 (# 15146.1 Single Ambig [MD2 139 MG2 138 MD1 139 MD2 142] )
&rst
ixpk= 15146, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2179,2180,2181,2160,2161,2162,2175,2176,2177,2234,
2235,2236,
&end
#
# 94 GLU HN 0 AMB m:15155 6.00 (# 15155.1 Single Ambig [MB 95 MD2 110 MD1 90] )
&rst
ixpk= 15155, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2=1485,1486,1487,1732,1733,1734,1416,1417,1418,
&end
#
# 139 LEU HN 138 VAL MG1 4.30 (# 15160.1 Unique )
&rst
ixpk= 15160, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2156,2157,2158,
&end
#
# 127 LEU HN 0 AMB m:15169 4.10 (# 15169.1 Single Ambig [MD2 127 MD2 55 MD1 55 MG2 129] )
&rst
ixpk= 15169, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1987,1988,1989, 851, 852, 853, 847, 848, 849,2010,
2011,2012,
&end
#
# 120 ALA HN 0 AMB m:15175 4.70 (# 15175.1 Single Ambig [HA 32 QA 118] )
&rst
ixpk= 15175, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 498,1846,1847,
&end
#
# 120 ALA HN 0 AMB m:15179 5.40 (# 15179.1 Single Ambig [QB 32 MB 121] )
&rst
ixpk= 15179, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2= 500, 501,1881,1882,1883,
&end
#
# 135 ARG HN 0 AMB m:15183 5.20 (# 15183.1 Single Ambig [MG2 113 MG2 138 MD1 110 MD1 139] )
&rst
ixpk= 15183, nxpk= 0, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr2=1770,1771,1772,2160,2161,2162,1728,1729,1730,2175,
2176,2177,
&end
#
# 0 AMB m:15189a 0 AMB m:15189b 5.00 (# 15189.1 Double Ambig [HN 124 HN 62] [MG2 123 MG2 64] )
&rst
ixpk= 15189, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1927, 948,
igr2=1921,1922,1923, 995, 996, 997,
&end
#
# 120 ALA HN 112 LEU QB 5.60 (# 15193.1 Unique )
&rst
ixpk= 15193, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1749,1750,
&end
#
# 60 ILE HN 39 VAL MG1 6.00 (# 15196.1 Unique )
&rst
ixpk= 15196, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 617, 618, 619,
&end
#
# 98 LEU HN 0 AMB m:15199 4.40 (# 15199.1 Single Ambig [MD2 98 MD2 139] )
&rst
ixpk= 15199, nxpk= 0, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1550,1551,1552,2179,2180,2181,
&end
#
# 125 ASN HN 0 AMB m:15207 5.80 (# 15207.1 Single Ambig [MG2 129 MG1 123 MG1 129 MD1 55 MD2 127 MD2 55] )
&rst
ixpk= 15207, nxpk= 0, iat=1946, -1, r1= 1.30, r2= 1.80, r3= 9.39, r4= 9.89,
igr2=2010,2011,2012,1917,1918,1919,2006,2007,2008, 847,
848, 849,1987,1988,1989, 851, 852, 853,
&end
#
# 0 AMB m:15219a 0 AMB m:15219b 3.90 (# 15219.1 Double Ambig [HN 124 HN 62] [MG1 123 MD2 35 MD1 36 MD1 67 MD1 109 MD1 55 MG2 129 MD2 127] )
&rst
ixpk= 15219, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1=1927, 948,
igr2=1917,1918,1919, 560, 561, 562, 575, 576, 577,1036,
1037,1038,1709,1710,1711, 847, 848, 849,2010,2011,
2012,1987,1988,1989,
&end
#
# 120 ALA HN 0 AMB m:15230 4.30 (# 15230.1 Single Ambig [MG1 119 MD2 35 MG1 64 MD1 67] )
&rst
ixpk= 15230, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1857,1858,1859, 560, 561, 562, 991, 992, 993,1036,
1037,1038,
&end
#
# 0 AMB m:15236a 0 AMB m:15236b 4.50 (# 15236.1 Double Ambig [HN 98 HN 113] [MD1 98 MG2 113 MD1 109 MD2 112] )
&rst
ixpk= 15236, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1537,1764,
igr2=1546,1547,1548,1770,1771,1772,1709,1710,1711,1758,
1759,1760,
&end
#
# 113 ILE HN 0 AMB m:15242 6.00 (# 15242.1 Single Ambig [QG1 113 MD1 109 MD1 112] )
&rst
ixpk= 15242, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr2=1774,1775,1709,1710,1711,1754,1755,1756,
&end
#
# 27 ASN HN 26 HIS HA 3.50 (# 15247.1 Unique; orig = 2.90 )
&rst
ixpk= 15247, nxpk= 0, iat= 428, 413, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 GLN HN 0 AMB m:15250 5.80 (# 15250.1 Single Ambig [QB 8 QB 9 QB 12] )
&rst
ixpk= 15250, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr2= 127, 128, 142, 143, 193, 194,
&end
#
# 50 LEU HN 50 LEU HG 2.50 (# 15255.1 Unique )
&rst
ixpk= 15255, nxpk= 0, iat= 766, 773, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 50 LEU HN 0 AMB m:15258 5.60 (# 15258.1 Single Ambig [MB 47 MB 52 HG 55] )
&rst
ixpk= 15258, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr2= 728, 729, 730, 806, 807, 808, 845,
&end
#
# 136 GLN HN 0 AMB m:15263 5.40 (# 15263.1 Single Ambig [MD1 139 MG2 138 MD2 139 MD1 110] )
&rst
ixpk= 15263, nxpk= 0, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr2=2175,2176,2177,2160,2161,2162,2179,2180,2181,1728,
1729,1730,
&end
#
# 28 ASN HN 26 HIS HA 5.20 (# 15269.1 Unique )
&rst
ixpk= 15269, nxpk= 0, iat= 442, 413, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 28 ASN HN 26 HIS QB 4.50 (# 15272.1 Unique; orig = 3.10 )
&rst
ixpk= 15272, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 415, 416,
&end
#
# 144 SER HN 142 LEU MD1 4.80 (# 15275.1 Unique )
&rst
ixpk= 15275, nxpk= 0, iat=2247, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=2230,2231,2232,
&end
#
# 110 LEU HN 0 AMB m:15278 5.20 (# 15278.1 Single Ambig [MD2 109 MD1 109 MG1 138 QG1 113 MD1 112 MD1 38] )
&rst
ixpk= 15278, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
igr2=1713,1714,1715,1709,1710,1711,2156,2157,2158,1774,
1775,1754,1755,1756, 601, 602, 603,
&end
#
# 132 ASN HN 0 AMB m:15289 5.80 (# 15289.1 Single Ambig [MD1 131 MG2 113] )
&rst
ixpk= 15289, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr2=2036,2037,2038,1770,1771,1772,
&end
#
# 39 VAL HN 0 AMB m:15300 4.60 (# 15300.1 Single Ambig [MD1 35 MD2 38 MD1 38 MD1 36 MD1 16 QG1 60] )
&rst
ixpk= 15300, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
igr2= 556, 557, 558, 605, 606, 607, 601, 602, 603, 575,
576, 577, 265, 266, 267, 922, 923,
&end
#
# 39 VAL HN 0 AMB m:15308 6.00 (# 15308.1 Single Ambig [MG2 60 MD 60 MD2 35 MD1 112 MD2 50] )
&rst
ixpk= 15308, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr2= 918, 919, 920, 925, 926, 927, 560, 561, 562,1754,
1755,1756, 779, 780, 781,
&end
#
# 137 GLN QE2 0 AMB m:15315 5.20 (# 15315.1 Single Ambig [HG 141 QB 48] )
&rst
ixpk= 15315, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=2145,2146,
igr2=2209, 738, 739,
&end
#
# 137 GLN QE2 141 LEU QB 2.80 (# 15323.1 Unique )
&rst
ixpk= 15323, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2145,2146,
igr2=2206,2207,
&end
#
# 137 GLN QE2 0 AMB m:15326 4.20 (# 15326.1 Single Ambig [QB 141 MB 52] )
&rst
ixpk= 15326, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=2145,2146,
igr2=2206,2207, 806, 807, 808,
&end
#
# 137 GLN QE2 141 LEU MD1 5.00 (# 15330.1 Unique )
&rst
ixpk= 15330, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2145,2146,
igr2=2211,2212,2213,
&end
#
# 137 GLN QE2 0 AMB m:15333 4.70 (# 15333.1 Single Ambig [MD2 141 MD1 141] )
&rst
ixpk= 15333, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1=2145,2146,
igr2=2215,2216,2217,2211,2212,2213,
&end
#
# 125 ASN QD2 0 AMB m:15337 5.40 (# 15337.1 Single Ambig [MG2 113 MD1 131] )
&rst
ixpk= 15337, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1=1955,1956,
igr2=1770,1771,1772,2036,2037,2038,
&end
#
# 61 GLN QE2 36 LEU MD1 4.10 (# 15341.1 Unique )
&rst
ixpk= 15341, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 943, 944,
igr2= 575, 576, 577,
&end
#
# 69 GLY HN 0 AMB m:15347 4.00 (# 15347.1 Single Ambig [QG1 68 HG 24] )
&rst
ixpk= 15347, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1056,1057, 392,
&end
#
# 0 AMB m:15351a 0 AMB m:15351b 4.50 (# 15351.1 Double Ambig [QE2 51 QE2 140] [MB 47 QB 141] )
&rst
ixpk= 15351, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 797, 798,2197,2198,
igr2= 728, 729, 730,2206,2207,
&end
#
# 69 GLY HN 0 AMB m:15359 5.00 (# 15359.1 Single Ambig [MD2 24 MG2 68] )
&rst
ixpk= 15359, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 398, 399, 400,1052,1053,1054,
&end
#
# 126 ASN QD2 0 AMB m:15368 3.80 (# 15368.1 Single Ambig [MD1 67 MG1 123 MD2 67] )
&rst
ixpk= 15368, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1969,1970,
igr2=1036,1037,1038,1917,1918,1919,1040,1041,1042,
&end
#
# 111 GLY HN 0 AMB m:15373 4.60 (# 15373.1 Single Ambig [QG 94 HG 110] )
&rst
ixpk= 15373, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1473,1474,1726,
&end
#
# 37 GLY HN 0 AMB m:15377 5.10 (# 15377.1 Single Ambig [MD2 36 MD1 36 MD1 16 MG2 13 MD1 38 MD2 38] )
&rst
ixpk= 15377, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76,
igr2= 579, 580, 581, 575, 576, 577, 265, 266, 267, 221,
222, 223, 601, 602, 603, 605, 606, 607,
&end
#
# 54 GLY HN 0 AMB m:15385 5.80 (# 15385.1 Single Ambig [HA 50 QA 56] )
&rst
ixpk= 15385, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 768, 859, 860,
&end
#
# 135 ARG HE 135 ARG QB 4.50 (# 15389.1 Unique; orig = 3.90 )
&rst
ixpk= 15389, nxpk= 0, iat=2105, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2096,2097,
&end
#
# 128 GLY HN 0 AMB m:15397 4.90 (# 15397.1 Single Ambig [MG2 129 MD2 55 MD1 55] )
&rst
ixpk= 15397, nxpk= 0, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2=2010,2011,2012, 851, 852, 853, 847, 848, 849,
&end
#
# 83 ARG HE 83 ARG QB 4.50 (# 15402.1 Unique; orig = 3.80 )
&rst
ixpk= 15402, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1283,1284,
&end
#
# 143 GLY HN 0 AMB m:15405 4.00 (# 15405.1 Single Ambig [MD1 142 MD2 142] )
&rst
ixpk= 15405, nxpk= 0, iat=2240, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2230,2231,2232,2234,2235,2236,
&end
#
# 139 LEU HN 0 AMB m:15412 4.50 (# 15412.1 Single Ambig [HN 137 HN 136 HN 142] )
&rst
ixpk= 15412, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2133,2116,2221,
&end
#
# 48 LYS HN 0 AMB m:15417 5.00 (# 15417.1 Single Ambig [HN 50 HN 46] )
&rst
ixpk= 15417, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 766, 714,
&end
#
# 22 LEU HN 0 AMB m:15421 5.80 (# 15421.1 Single Ambig [HN 28 HN 25 HN 19] )
&rst
ixpk= 15421, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 442, 404, 302,
&end
#
# 77 THR HN 76 GLN HN 4.50 (# 15426.1 Unique; orig = 2.60 )
&rst
ixpk= 15426, nxpk= 0, iat=1180,1163, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 PHE HN 0 AMB m:15432 6.00 (# 15432.1 Single Ambig [MD1 14 MG2 103] )
&rst
ixpk= 15432, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 236, 237, 238,1622,1623,1624,
&end
#
# 7 THR HN 0 AMB m:15442 6.00 (# 15442.1 Single Ambig [MG2 103 MD1 14] )
&rst
ixpk= 15442, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1622,1623,1624, 236, 237, 238,
&end
#
# 7 THR HN 0 AMB m:15446 6.00 (# 15446.1 Single Ambig [MG1 103 MG2 108] )
&rst
ixpk= 15446, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1618,1619,1620,1687,1688,1689,
&end
#
# 7 THR HN 0 AMB m:15450 6.00 (# 15450.1 Single Ambig [MD 108 MD2 38 MD2 14] )
&rst
ixpk= 15450, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2=1694,1695,1696, 605, 606, 607, 240, 241, 242,
&end
#
# 9 ARG HN 105 THR MG2 6.00 (# 15455.1 Unique )
&rst
ixpk= 15455, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1641,1642,1643,
&end
#
# 144 SER HN 140 GLN QB 6.00 (# 15477.1 Unique )
&rst
ixpk= 15477, nxpk= 0, iat=2247, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2189,2190,
&end
#
# 141 LEU HN 0 AMB m:15483 6.00 (# 15483.1 Single Ambig [HA 49 QB 144] )
&rst
ixpk= 15483, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 758,2251,2252,
&end
#
# 140 GLN HN 137 GLN QE2 6.00 (# 15491.1 Unique )
&rst
ixpk= 15491, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2145,2146,
&end
#
# 0 AMB m:15498a 0 AMB m:15498b 6.00 (# 15498.1 Double Ambig [QE2 51 QE2 140] [QA 56 HA 141] )
&rst
ixpk= 15498, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 797, 798,2197,2198,
igr2= 859, 860,2204,
&end
#
# 0 AMB m:15502a 0 AMB m:15502b 5.40 (# 15502.1 Double Ambig [QE2 51 QE2 140] [HA 51 HA 136] )
&rst
ixpk= 15502, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 797, 798,2197,2198,
igr2= 787,2118,
&end
#
# 51 GLN QE2 0 AMB m:15506 6.00 (# 15506.1 Single Ambig [QB 57 HA 39 HA 47] )
&rst
ixpk= 15506, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 797, 798,
igr2= 868, 869, 613, 726,
&end
#
# 139 LEU HN 0 AMB m:15519 6.00 (# 15519.1 Single Ambig [QB 137 HG 110] )
&rst
ixpk= 15519, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2137,2138,1726,
&end
#
# 138 VAL HN 0 AMB m:15524 6.00 (# 15524.1 Single Ambig [QB 139 QB 106 QB 141] )
&rst
ixpk= 15524, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=2170,2171,1653,1654,2206,2207,
&end
#
# 138 VAL HN 137 GLN QB 6.00 (# 15529.1 Unique )
&rst
ixpk= 15529, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2137,2138,
&end
#
# 138 VAL HN 0 AMB m:15532 6.00 (# 15532.1 Single Ambig [HG 109 QB 109 MB 46] )
&rst
ixpk= 15532, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1707,1704,1705, 718, 719, 720,
&end
#
# 137 GLN HN 0 AMB m:15540 5.80 (# 15540.1 Single Ambig [MD1 53 MD2 109 MG1 138] )
&rst
ixpk= 15540, nxpk= 0, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr2= 821, 822, 823,1713,1714,1715,2156,2157,2158,
&end
#
# 137 GLN HN 0 AMB m:15550 5.50 (# 15550.1 Single Ambig [HG 53 QB 135 QB 139 HG 139] )
&rst
ixpk= 15550, nxpk= 0, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 819,2096,2097,2170,2171,2173,
&end
#
# 134 ALA HN 0 AMB m:15556 6.00 (# 15556.1 Single Ambig [QB 137 QB 136] )
&rst
ixpk= 15556, nxpk= 0, iat=2082, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=2137,2138,2120,2121,
&end
#
# 134 ALA HN 137 GLN QB 6.00 (# 15560.1 Unique )
&rst
ixpk= 15560, nxpk= 0, iat=2082, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2137,2138,
&end
#
# 133 LYS HN 129 VAL MG1 6.00 (# 15564.1 Unique )
&rst
ixpk= 15564, nxpk= 0, iat=2060, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2006,2007,2008,
&end
#
# 131 LEU HN 0 AMB m:15567 6.00 (# 15567.1 Single Ambig [MG1 129 QG1 113 MG2 129] )
&rst
ixpk= 15567, nxpk= 0, iat=2027, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr2=2006,2007,2008,1774,1775,2010,2011,2012,
&end
#
# 130 SER HN 0 AMB m:15575 6.00 (# 15575.1 Single Ambig [MD2 53 MG2 113 MD1 131] )
&rst
ixpk= 15575, nxpk= 0, iat=2016, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 825, 826, 827,1770,1771,1772,2036,2037,2038,
&end
#
# 130 SER HN 133 LYS QB 6.00 (# 15580.1 Unique )
&rst
ixpk= 15580, nxpk= 0, iat=2016, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2064,2065,
&end
#
# 129 VAL HN 0 AMB m:15586 6.00 (# 15586.1 Single Ambig [HA 127 HA 132 HA 126] )
&rst
ixpk= 15586, nxpk= 0, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1976,2048,1962,
&end
#
# 129 VAL HN 130 SER HA 6.00 (# 15591.1 Unique )
&rst
ixpk= 15591, nxpk= 0, iat=2000,2018, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 129 VAL HN 0 AMB m:15594 6.00 (# 15594.1 Single Ambig [HN 135 HN 126] )
&rst
ixpk= 15594, nxpk= 0, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2092,1960,
&end
#
# 128 GLY HN 124 LEU QB 6.00 (# 15598.1 Unique )
&rst
ixpk= 15598, nxpk= 0, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1931,1932,
&end
#
# 128 GLY HN 0 AMB m:15601 6.00 (# 15601.1 Single Ambig [QB 125 QB 126] )
&rst
ixpk= 15601, nxpk= 0, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1950,1951,1964,1965,
&end
#
# 127 LEU HN 0 AMB m:15612 6.00 (# 15612.1 Single Ambig [QD2 126 HN 124] )
&rst
ixpk= 15612, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1969,1970,1927,
&end
#
# 126 ASN HN 0 AMB m:15616 6.00 (# 15616.1 Single Ambig [MD1 127 MG1 129] )
&rst
ixpk= 15616, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1983,1984,1985,2006,2007,2008,
&end
#
# 126 ASN HN 123 VAL MG2 6.00 (# 15620.1 Unique )
&rst
ixpk= 15620, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1921,1922,1923,
&end
#
# 126 ASN QD2 0 AMB m:15630 6.00 (# 15630.1 Single Ambig [HB 123 QB 63] )
&rst
ixpk= 15630, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1969,1970,
igr2=1915, 974, 975,
&end
#
# 126 ASN QD2 122 ARG HA 6.00 (# 15634.1 Unique )
&rst
ixpk= 15634, nxpk= 0, iat= -1,1889, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1969,1970,
&end
#
# 126 ASN QD2 0 AMB m:15641 5.20 (# 15641.1 Single Ambig [QB 122 HG 67] )
&rst
ixpk= 15641, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1969,1970,
igr2=1891,1892,1034,
&end
#
# 126 ASN QD2 0 AMB m:15645 6.00 (# 15645.1 Single Ambig [HB 123 QB 63]; orig = 4.10 )
&rst
ixpk= 15645, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1969,1970,
igr2=1915, 974, 975,
&end
#
# 125 ASN HN 0 AMB m:15653 6.00 (# 15653.1 Single Ambig [MG2 113 MG2 123 MD1 131] )
&rst
ixpk= 15653, nxpk= 0, iat=1946, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2=1770,1771,1772,1921,1922,1923,2036,2037,2038,
&end
#
# 125 ASN QD2 0 AMB m:15665 6.00 (# 15665.1 Single Ambig [MG1 129 MG2 129 MG1 123 MD1 55] )
&rst
ixpk= 15665, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1955,1956,
igr2=2006,2007,2008,2010,2011,2012,1917,1918,1919, 847,
848, 849,
&end
#
# 125 ASN QD2 124 LEU HG 6.00 (# 15674.1 Unique )
&rst
ixpk= 15674, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1955,1956,
&end
#
# 125 ASN QD2 0 AMB m:15677 6.00 (# 15677.1 Single Ambig [HB 129 HG 127] )
&rst
ixpk= 15677, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1955,1956,
igr2=2004,1981,
&end
#
# 125 ASN QD2 0 AMB m:15681 6.00 (# 15681.1 Single Ambig [QB 130 HA 122 HA 131] )
&rst
ixpk= 15681, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1955,1956,
igr2=2020,2021,1889,2029,
&end
#
# 125 ASN QD2 0 AMB m:15686 6.00 (# 15686.1 Single Ambig [HA 124 HA 121] )
&rst
ixpk= 15686, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1955,1956,
igr2=1929,1879,
&end
#
# 125 ASN QD2 0 AMB m:15690 6.00 (# 15690.1 Single Ambig [MG1 129 MG2 129 MD1 55] )
&rst
ixpk= 15690, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1955,1956,
igr2=2006,2007,2008,2010,2011,2012, 847, 848, 849,
&end
#
# 125 ASN QD2 113 ILE HA 6.00 (# 15695.1 Unique )
&rst
ixpk= 15695, nxpk= 0, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1955,1956,
&end
#
# 0 AMB m:15701a 0 AMB m:15701b 6.00 (# 15701.1 Double Ambig [HN 124 HN 62] [HA 122 HA 131 HA 36 HA 50] )
&rst
ixpk= 15701, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1927, 948,
igr2=1889,2029, 568, 768,
&end
#
# 0 AMB m:15707a 0 AMB m:15707b 5.60 (# 15707.1 Double Ambig [HN 123 HN 114] [MB 121 QB 110] )
&rst
ixpk= 15707, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
igr1=1911,1783,
igr2=1881,1882,1883,1723,1724,
&end
#
# 114 ARG HN 0 AMB m:15712 6.00 (# 15712.1 Single Ambig [QB 90 MG2 87 QB 112] )
&rst
ixpk= 15712, nxpk= 0, iat=1783, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2=1411,1412,1367,1368,1369,1749,1750,
&end
#
# 120 ALA HN 0 AMB m:15717 5.20 (# 15717.1 Single Ambig [MG2 123 MG2 64] )
&rst
ixpk= 15717, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2=1921,1922,1923, 995, 996, 997,
&end
#
# 120 ALA HN 123 VAL HB 5.80 (# 15721.1 Unique )
&rst
ixpk= 15721, nxpk= 0, iat=1867,1915, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 119 VAL HN 0 AMB m:15733 6.00 (# 15733.1 Single Ambig [MB 120 MG2 31] )
&rst
ixpk= 15733, nxpk= 0, iat=1851, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1871,1872,1873, 488, 489, 490,
&end
#
# 119 VAL HN 0 AMB m:15737 6.00 (# 15737.1 Single Ambig [HA 120 HA 31] )
&rst
ixpk= 15737, nxpk= 0, iat=1851, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1869, 484,
&end
#
# 116 GLY HN 0 AMB m:15741 5.60 (# 15741.1 Single Ambig [QG1 113 MD1 112 MD2 35 MD1 109 MG1 119 MG1 87] )
&rst
ixpk= 15741, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr2=1774,1775,1754,1755,1756, 560, 561, 562,1709,1710,
1711,1857,1858,1859,1363,1364,1365,
&end
#
# 116 GLY HN 0 AMB m:15753 6.00 (# 15753.1 Single Ambig [MG2 87 QB 112] )
&rst
ixpk= 15753, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=1367,1368,1369,1749,1750,
&end
#
# 111 GLY HN 0 AMB m:15757 5.20 (# 15757.1 Single Ambig [MG1 87 QG1 113 MD1 112 MD1 90 MD1 109] )
&rst
ixpk= 15757, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr2=1363,1364,1365,1774,1775,1754,1755,1756,1416,1417,
1418,1709,1710,1711,
&end
#
# 111 GLY HN 0 AMB m:15764 5.60 (# 15764.1 Single Ambig [QB 91 HA 112] )
&rst
ixpk= 15764, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1430,1431,1747,
&end
#
# 110 LEU HN 0 AMB m:15768 6.00 (# 15768.1 Single Ambig [QG 106 MB 134 MB 49 QB 112] )
&rst
ixpk= 15768, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr2=1656,1657,2086,2087,2088, 760, 761, 762,1749,1750,
&end
#
# 110 LEU HN 0 AMB m:15778 6.00 (# 15778.1 Single Ambig [QG1 113 HG 112 QB 106 HB 113] )
&rst
ixpk= 15778, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1774,1775,1752,1653,1654,1768,
&end
#
# 109 LEU HN 0 AMB m:15787 6.00 (# 15787.1 Single Ambig [QG 106 QB 112 MB 49] )
&rst
ixpk= 15787, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2=1656,1657,1749,1750, 760, 761, 762,
&end
#
# 109 LEU HN 0 AMB m:15792 6.00 (# 15792.1 Single Ambig [HG 112 HG 38 QB 106 QG 106] )
&rst
ixpk= 15792, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1752, 599,1653,1654,1656,1657,
&end
#
# 108 ILE HN 0 AMB m:15798 5.80 (# 15798.1 Single Ambig [QB 109 MB 46 HB 103 MG2 105] )
&rst
ixpk= 15798, nxpk= 0, iat=1681, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr2=1704,1705, 718, 719, 720,1616,1641,1642,1643,
&end
#
# 107 HIS HN 0 AMB m:15812 6.00 (# 15812.1 Single Ambig [MB 46 MG2 105 QB 109] )
&rst
ixpk= 15812, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr2= 718, 719, 720,1641,1642,1643,1704,1705,
&end
#
# 107 HIS HN 0 AMB m:15817 6.00 (# 15817.1 Single Ambig [HG 110 QB 109] )
&rst
ixpk= 15817, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1726,1704,1705,
&end
#
# 107 HIS HN 0 AMB m:15821 6.00 (# 15821.1 Single Ambig [QB 94 HB 138] )
&rst
ixpk= 15821, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1470,1471,2154,
&end
#
# 105 THR HN 0 AMB m:15825 6.00 (# 15825.1 Single Ambig [MD 108 MD2 38 MG2 13] )
&rst
ixpk= 15825, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2=1694,1695,1696, 605, 606, 607, 221, 222, 223,
&end
#
# 105 THR HN 7 THR MG2 6.00 (# 15830.1 Unique )
&rst
ixpk= 15830, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 115, 116, 117,
&end
#
# 105 THR HN 0 AMB m:15833 6.00 (# 15833.1 Single Ambig [QB 106 QG1 45] )
&rst
ixpk= 15833, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1653,1654, 705, 706,
&end
#
# 105 THR HN 0 AMB m:15837 6.00 (# 15837.1 Single Ambig [QB 9 QG1 108] )
&rst
ixpk= 15837, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 142, 143,1691,1692,
&end
#
# 99 GLY HN 97 LYS QB 5.80 (# 15841.1 Unique )
&rst
ixpk= 15841, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1519,1520,
&end
#
# 56 GLY HN 51 GLN QB 6.00 (# 15844.1 Unique )
&rst
ixpk= 15844, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 789, 790,
&end
#
# 37 GLY HN 0 AMB m:15854 5.80 (# 15854.1 Single Ambig [MD2 38 MG2 34 MG1 64 MD1 112 MD2 14 MD2 35 MD 34] )
&rst
ixpk= 15854, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
igr2= 605, 606, 607, 534, 535, 536, 991, 992, 993,1754,
1755,1756, 240, 241, 242, 560, 561, 562, 541, 542,
543,
&end
#
# 37 GLY HN 33 HIS HD2 6.00 (# 15863.1 Unique )
&rst
ixpk= 15863, nxpk= 0, iat= 585, 524, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 GLY HN 0 AMB m:15876 6.00 (# 15876.1 Single Ambig [QB 51 HB 39 QB 63] )
&rst
ixpk= 15876, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2= 789, 790, 615, 974, 975,
&end
#
# 31 THR HN 0 AMB m:15890 6.00 (# 15890.1 Single Ambig [QB 83 QB 115 QG 32 HB 119] )
&rst
ixpk= 15890, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2=1283,1284,1811,1812, 503, 504,1855,
&end
#
# 81 THR HN 0 AMB m:15896 5.40 (# 15896.1 Single Ambig [MG2 29 MD 34 HN 30] )
&rst
ixpk= 15896, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr2= 462, 463, 464, 541, 542, 543, 475,
&end
#
# 81 THR HN 0 AMB m:15901 6.00 (# 15901.1 Single Ambig [QG1 29 QB 112] )
&rst
ixpk= 15901, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 466, 467,1749,1750,
&end
#
# 81 THR HN 0 AMB m:15909 6.00 (# 15909.1 Single Ambig [QB 83 QB 85 QB 82] )
&rst
ixpk= 15909, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1283,1284,1317,1318,1272,1273,
&end
#
# 81 THR HN 79 HIS QB 6.00 (# 15915.1 Unique )
&rst
ixpk= 15915, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1217,1218,
&end
#
# 0 AMB m:15921a 0 AMB m:15921b 6.00 (# 15921.1 Double Ambig [HN 34 HN 121] [MG2 68 MG2 123 MD2 131 MG2 64 MG2 88] )
&rst
ixpk= 15921, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 528,1877,
igr2=1052,1053,1054,1921,1922,1923,2040,2041,2042, 995,
996, 997,1379,1380,1381,
&end
#
# 34 ILE HN 0 AMB m:15929 3.60 (# 15929.1 Single Ambig [QG1 34 MG2 29 MD 34 MG2 34 HN 30] )
&rst
ixpk= 15929, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 538, 539, 462, 463, 464, 541, 542, 543, 534, 535,
536, 475,
&end
#
# 55 LEU HN 0 AMB m:15947 6.00 (# 15947.1 Single Ambig [HA 53 HA 125] )
&rst
ixpk= 15947, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 814,1948,
&end
#
# 0 AMB m:15951a 0 AMB m:15951b 6.00 (# 15951.1 Double Ambig [HN 55 HN 117] [HN 52 HN 119] )
&rst
ixpk= 15951, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 838,1829,
igr2= 802,1851,
&end
#
# 103 VAL HN 0 AMB m:15955 6.00 (# 15955.1 Single Ambig [HA 92 QA 4] )
&rst
ixpk= 15955, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1439, 60, 61,
&end
#
# 103 VAL HN 6 PHE HD 5.60 (# 15963.1 Unique )
&rst
ixpk= 15963, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 97, 105,
&end
#
# 101 SER HN 100 HIS HD2 6.00 (# 15969.1 Unique )
&rst
ixpk= 15969, nxpk= 0, iat=1580,1576, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 98 LEU HN 107 HIS HD2 6.00 (# 15981.1 Unique )
&rst
ixpk= 15981, nxpk= 0, iat=1537,1677, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 97 LYS HN 94 GLU QB 6.00 (# 15984.1 Unique )
&rst
ixpk= 15984, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1470,1471,
&end
#
# 97 LYS HN 0 AMB m:15987 6.00 (# 15987.1 Single Ambig [QB 135 QB 96] )
&rst
ixpk= 15987, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=2096,2097,1495,1496,
&end
#
# 96 ARG HN 94 GLU QB 6.00 (# 15992.1 Unique )
&rst
ixpk= 15992, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1470,1471,
&end
#
# 94 GLU HN 0 AMB m:15995 6.00 (# 15995.1 Single Ambig [MD2 90 MD1 98 MG1 87 MD1 139] )
&rst
ixpk= 15995, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2=1420,1421,1422,1546,1547,1548,1363,1364,1365,2175,
2176,2177,
&end
#
# 94 GLU HN 110 LEU QB 6.00 (# 16001.1 Unique )
&rst
ixpk= 16001, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1723,1724,
&end
#
# 94 GLU HN 0 AMB m:16004 6.00 (# 16004.1 Single Ambig [QB 97 QB 114 QB 135] )
&rst
ixpk= 16004, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1519,1520,1787,1788,2096,2097,
&end
#
# 94 GLU HN 107 HIS HD2 6.00 (# 16016.1 Unique )
&rst
ixpk= 16016, nxpk= 0, iat=1466,1677, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 92 MET HN 0 AMB m:16019 6.00 (# 16019.1 Single Ambig [MD2 90 MG1 87 MD1 90] )
&rst
ixpk= 16019, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2=1420,1421,1422,1363,1364,1365,1416,1417,1418,
&end
#
# 92 MET HN 0 AMB m:16024 6.00 (# 16024.1 Single Ambig [MB 95 MG1 87 MD1 90] )
&rst
ixpk= 16024, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2=1485,1486,1487,1363,1364,1365,1416,1417,1418,
&end
#
# 92 MET HN 0 AMB m:16029 6.00 (# 16029.1 Single Ambig [MG2 88 QG1 108 MD1 110] )
&rst
ixpk= 16029, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr2=1379,1380,1381,1691,1692,1728,1729,1730,
&end
#
# 92 MET HN 0 AMB m:16034 6.00 (# 16034.1 Single Ambig [HG 90 ME 2 QG1 108 QB 110 QB 96 HB 108] )
&rst
ixpk= 16034, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 8.95, r4= 9.45,
igr2=1414, 32, 33, 34,1691,1692,1723,1724,1495,1496,
1685,
&end
#
# 92 MET HN 0 AMB m:16042 6.00 (# 16042.1 Single Ambig [HA 93 HA 108] )
&rst
ixpk= 16042, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1456,1683,
&end
#
# 90 LEU HN 0 AMB m:16050 6.00 (# 16050.1 Single Ambig [MG2 88 QG1 108] )
&rst
ixpk= 16050, nxpk= 0, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=1379,1380,1381,1691,1692,
&end
#
# 88 ILE HN 0 AMB m:16058 6.00 (# 16058.1 Single Ambig [MG2 108 MG1 103] )
&rst
ixpk= 16058, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1687,1688,1689,1618,1619,1620,
&end
#
# 88 ILE HN 0 AMB m:16062 6.00 (# 16062.1 Single Ambig [QB 86 HG 90 QB 83 HB 34] )
&rst
ixpk= 16062, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1339,1340,1414,1283,1284, 532,
&end
#
# 86 LYS HN 0 AMB m:16072 6.00 (# 16072.1 Single Ambig [QB 85 QB 83] )
&rst
ixpk= 16072, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1317,1318,1283,1284,
&end
#
# 85 LYS HN 0 AMB m:16081 6.00 (# 16081.1 Single Ambig [MD 34 MG1 87 MD1 90] )
&rst
ixpk= 16081, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 541, 542, 543,1363,1364,1365,1416,1417,1418,
&end
#
# 85 LYS HN 0 AMB m:16086 6.00 (# 16086.1 Single Ambig [HB 87 QB 82 QG 115] )
&rst
ixpk= 16086, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=1361,1272,1273,1814,1815,
&end
#
# 84 ALA HN 0 AMB m:16094 6.00 (# 16094.1 Single Ambig [MD 34 MG2 29 MG1 87 HN 30 QG1 34] )
&rst
ixpk= 16094, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2= 541, 542, 543, 462, 463, 464,1363,1364,1365, 475,
538, 539,
&end
#
# 84 ALA HN 0 AMB m:16101 6.00 (# 16101.1 Single Ambig [QG 115 QB 86 HB 88] )
&rst
ixpk= 16101, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=1814,1815,1339,1340,1377,
&end
#
# 84 ALA HN 0 AMB m:16106 6.00 (# 16106.1 Single Ambig [HB 87 QG 115] )
&rst
ixpk= 16106, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1361,1814,1815,
&end
#
# 84 ALA HN 30 GLY QA 5.00 (# 16110.1 Unique )
&rst
ixpk= 16110, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 477, 478,
&end
#
# 67 LEU HN 0 AMB m:16142 2.50 (# 16142.1 Single Ambig [QB 67 HG 67] )
&rst
ixpk= 16142, nxpk= 0, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1031,1032,1034,
&end
#
# 67 LEU HN 0 AMB m:16146 6.00 (# 16146.1 Single Ambig [QG 65 HB 64] )
&rst
ixpk= 16146, nxpk= 0, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1008,1009, 989,
&end
#
# 65 GLU HN 0 AMB m:16153 6.00 (# 16153.1 Single Ambig [QG1 68 QB 32] )
&rst
ixpk= 16153, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1056,1057, 500, 501,
&end
#
# 65 GLU HN 0 AMB m:16161 6.00 (# 16161.1 Single Ambig [QB 32 QB 67 QG 32 HB 119] )
&rst
ixpk= 16161, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2= 500, 501,1031,1032, 503, 504,1855,
&end
#
# 65 GLU HN 0 AMB m:16167 6.00 (# 16167.1 Single Ambig [HG 36 QB 62] )
&rst
ixpk= 16167, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 573, 952, 953,
&end
#
# 64 VAL HN 0 AMB m:16171 6.00 (# 16171.1 Single Ambig [QB 32 HG 67 HB 119 QG 32] )
&rst
ixpk= 16171, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 500, 501,1034,1855, 503, 504,
&end
#
# 64 VAL HN 0 AMB m:16177 6.00 (# 16177.1 Single Ambig [QB 62 QB 67] )
&rst
ixpk= 16177, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 952, 953,1031,1032,
&end
#
# 57 SER HN 0 AMB m:16191 6.00 (# 16191.1 Single Ambig [QB 59 QB 50] )
&rst
ixpk= 16191, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 894, 895, 770, 771,
&end
#
# 53 LEU HN 137 GLN QB 6.00 (# 16196.1 Unique )
&rst
ixpk= 16196, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2137,2138,
&end
#
# 53 LEU HN 137 GLN QB 6.00 (# 16199.1 Unique )
&rst
ixpk= 16199, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2137,2138,
&end
#
# 47 ALA HN 0 AMB m:16208 6.00 (# 16208.1 Single Ambig [MB 49 MG1 13] )
&rst
ixpk= 16208, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 760, 761, 762, 217, 218, 219,
&end
#
# 47 ALA HN 0 AMB m:16212 6.00 (# 16212.1 Single Ambig [MD1 50 MD2 50 HN 106] )
&rst
ixpk= 16212, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2= 775, 776, 777, 779, 780, 781,1649,
&end
#
# 47 ALA HN 0 AMB m:16217 4.90 (# 16217.1 Single Ambig [MD2 38 MG1 138 MG2 45 MD2 141 MD1 38 MD1 109] )
&rst
ixpk= 16217, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2= 605, 606, 607,2156,2157,2158, 701, 702, 703,2215,
2216,2217, 601, 602, 603,1709,1710,1711,
&end
#
# 47 ALA HN 0 AMB m:16225 6.00 (# 16225.1 Single Ambig [QB 48 HB 45 QB 106] )
&rst
ixpk= 16225, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2= 738, 739, 699,1653,1654,
&end
#
# 45 ILE HN 0 AMB m:16230 6.00 (# 16230.1 Single Ambig [QB 9 QB 43 QB 141 HB 108] )
&rst
ixpk= 16230, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2= 142, 143, 677, 678,2206,2207,1685,
&end
#
# 45 ILE HN 0 AMB m:16236 6.00 (# 16236.1 Single Ambig [HA 46 HA 106] )
&rst
ixpk= 16236, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 716,1651,
&end
#
# 45 ILE HN 0 AMB m:16240 6.00 (# 16240.1 Single Ambig [HB 105 HA 142] )
&rst
ixpk= 16240, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1639,2223,
&end
#
# 40 ARG HN 37 GLY HN 6.00 (# 16244.1 Unique )
&rst
ixpk= 16244, nxpk= 0, iat= 627, 585, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 VAL HN 0 AMB m:16247 6.00 (# 16247.1 Single Ambig [MD1 50 MD 60] )
&rst
ixpk= 16247, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 775, 776, 777, 925, 926, 927,
&end
#
# 39 VAL HN 0 AMB m:16251 6.00 (# 16251.1 Single Ambig [HG 35 QB 35 MB 46 QB 50] )
&rst
ixpk= 16251, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr2= 554, 551, 552, 718, 719, 720, 770, 771,
&end
#
# 39 VAL HN 0 AMB m:16264 6.00 (# 16264.1 Single Ambig [QB 41 QB 61] )
&rst
ixpk= 16264, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 655, 656, 935, 936,
&end
#
# 38 LEU HN 0 AMB m:16271 6.00 (# 16271.1 Single Ambig [QB 36 QB 40 HG 36 QB 41] )
&rst
ixpk= 16271, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2= 570, 571, 631, 632, 573, 655, 656,
&end
#
# 36 LEU HN 0 AMB m:16282 6.00 (# 16282.1 Single Ambig [QB 20 HB 64 QG 65 HB 39 QB 112] )
&rst
ixpk= 16282, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr2= 321, 322, 989,1008,1009, 615,1749,1750,
&end
#
# 33 HIS HN 0 AMB m:16289 6.00 (# 16289.1 Single Ambig [MB 84 QB 36] )
&rst
ixpk= 16289, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=1307,1308,1309, 570, 571,
&end
#
# 33 HIS HN 0 AMB m:16297 6.00 (# 16297.1 Single Ambig [HN 36 HN 21] )
&rst
ixpk= 16297, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 566, 332,
&end
#
# 28 ASN HN 0 AMB m:16308 6.00 (# 16308.1 Single Ambig [MG2 81 HB 29] )
&rst
ixpk= 16308, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1257,1258,1259, 460,
&end
#
# 28 ASN HN 0 AMB m:16317 6.00 (# 16317.1 Single Ambig [HN 26 HN 75 HN 73] )
&rst
ixpk= 16317, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 411,1152,1120,
&end
#
# 26 HIS HN 0 AMB m:16360 6.00 (# 16360.1 Single Ambig [HA 24 QA 69] )
&rst
ixpk= 16360, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 387,1067,1068,
&end
#
# 23 ARG HN 0 AMB m:16378 5.40 (# 16378.1 Single Ambig [QB 20 QB 18] )
&rst
ixpk= 16378, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2= 321, 322, 289, 290,
&end
#
# 22 LEU HN 0 AMB m:16385 6.00 (# 16385.1 Single Ambig [HN 26 HN 76] )
&rst
ixpk= 16385, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 411,1163,
&end
#
# 21 ALA HN 0 AMB m:16389 6.00 (# 16389.1 Single Ambig [MD2 36 MD2 22 MD1 22 MD1 24] )
&rst
ixpk= 16389, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2= 579, 580, 581, 355, 356, 357, 351, 352, 353, 394,
395, 396,
&end
#
# 21 ALA HN 17 ALA MB 6.00 (# 16395.1 Unique )
&rst
ixpk= 16395, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 279, 280, 281,
&end
#
# 21 ALA HN 0 AMB m:16398 6.00 (# 16398.1 Single Ambig [QB 23 QB 36 HG 36] )
&rst
ixpk= 16398, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2= 365, 366, 570, 571, 573,
&end
#
# 20 GLU HN 0 AMB m:16409 6.00 (# 16409.1 Single Ambig [QB 36 HG 22 HB 78] )
&rst
ixpk= 16409, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 570, 571, 349,1198,
&end
#
# 20 GLU HN 0 AMB m:16414 6.00 (# 16414.1 Single Ambig [QB 36 HG 36 HG 16] )
&rst
ixpk= 16414, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 570, 571, 573, 263,
&end
#
# 19 GLU HN 22 LEU HG 6.00 (# 16419.1 Unique )
&rst
ixpk= 16419, nxpk= 0, iat= 302, 349, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 GLU HN 0 AMB m:16422 6.00 (# 16422.1 Single Ambig [HG 16 QB 23 QB 36 QG1 34] )
&rst
ixpk= 16422, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2= 263, 365, 366, 570, 571, 538, 539,
&end
#
# 18 GLN HN 0 AMB m:16435 6.00 (# 16435.1 Single Ambig [QG 19 QG 20] )
&rst
ixpk= 16435, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 309, 310, 324, 325,
&end
#
# 17 ALA HN 0 AMB m:16443 6.00 (# 16443.1 Single Ambig [QG1 29 MD1 14] )
&rst
ixpk= 16443, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2= 466, 467, 236, 237, 238,
&end
#
# 17 ALA HN 0 AMB m:16447 6.00 (# 16447.1 Single Ambig [QG 20 QG 19 HB 13] )
&rst
ixpk= 16447, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2= 324, 325, 309, 310, 215,
&end
#
# 17 ALA HN 0 AMB m:16452 6.00 (# 16452.1 Single Ambig [QG 20 QB 12] )
&rst
ixpk= 16452, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 324, 325, 193, 194,
&end
#
# 17 ALA HN 0 AMB m:16456 6.00 (# 16456.1 Single Ambig [QB 14 HG 14] )
&rst
ixpk= 16456, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 231, 232, 234,
&end
#
# 16 LEU HN 0 AMB m:16460 6.00 (# 16460.1 Single Ambig [QB 14 HG 14 QB 12] )
&rst
ixpk= 16460, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2= 231, 232, 234, 193, 194,
&end
#
# 16 LEU HN 0 AMB m:16465 6.00 (# 16465.1 Single Ambig [QG 19 HB 13 QG 20] )
&rst
ixpk= 16465, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2= 309, 310, 215, 324, 325,
&end
#
# 16 LEU HN 0 AMB m:16470 5.20 (# 16470.1 Single Ambig [QB 12 QB 18 QG 19 QB 19] )
&rst
ixpk= 16470, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr2= 193, 194, 289, 290, 309, 310, 306, 307,
&end
#
# 14 LEU HN 0 AMB m:16480 6.00 (# 16480.1 Single Ambig [QB 11 QB 12] )
&rst
ixpk= 16480, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 176, 177, 193, 194,
&end
#
# 11 GLN HN 14 LEU MD1 6.00 (# 16488.1 Unique )
&rst
ixpk= 16488, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 236, 237, 238,
&end
#
# 11 GLN HN 0 AMB m:16491 6.00 (# 16491.1 Single Ambig [MD 108 MG2 13 MD2 38] )
&rst
ixpk= 16491, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2=1694,1695,1696, 221, 222, 223, 605, 606, 607,
&end
#
# 11 GLN HN 0 AMB m:16496 6.00 (# 16496.1 Single Ambig [QB 9 QB 14] )
&rst
ixpk= 16496, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 142, 143, 231, 232,
&end
#
# 13 VAL HN 41 GLU QB 5.80 (# 16500.1 Unique )
&rst
ixpk= 16500, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 655, 656,
&end
#
# 50 LEU HN 0 AMB m:16503 6.00 (# 16503.1 Single Ambig [QB 55 QB 53] )
&rst
ixpk= 16503, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 842, 843, 816, 817,
&end
#
# 91 SER HN 0 AMB m:16519 6.00 (# 16519.1 Single Ambig [MG1 103 MG2 108] )
&rst
ixpk= 16519, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1618,1619,1620,1687,1688,1689,
&end
#
# 91 SER HN 0 AMB m:16523 6.00 (# 16523.1 Single Ambig [QB 92 QB 93] )
&rst
ixpk= 16523, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1441,1442,1458,1459,
&end
#
# 91 SER HN 0 AMB m:16527 6.00 (# 16527.1 Single Ambig [QG 94 QG 89] )
&rst
ixpk= 16527, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1473,1474,1399,1400,
&end
#
# 93 ASP HN 90 LEU QB 6.00 (# 16544.1 Unique )
&rst
ixpk= 16544, nxpk= 0, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1411,1412,
&end
#
# 93 ASP HN 91 SER QB 6.00 (# 16547.1 Unique )
&rst
ixpk= 16547, nxpk= 0, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1430,1431,
&end
#
# 95 ALA HN 94 GLU QG 5.40 (# 16562.1 Unique )
&rst
ixpk= 16562, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1473,1474,
&end
#
# 95 ALA HN 107 HIS QB 6.00 (# 16565.1 Unique )
&rst
ixpk= 16565, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1668,1669,
&end
#
# 95 ALA HN 0 AMB m:16568 6.00 (# 16568.1 Single Ambig [MD1 110 MD2 139 HN 104] )
&rst
ixpk= 16568, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2=1728,1729,1730,2179,2180,2181,1628,
&end
#
# 95 ALA HN 0 AMB m:16579 6.00 (# 16579.1 Single Ambig [QB 110 QB 96 QB 98] )
&rst
ixpk= 16579, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1723,1724,1495,1496,1541,1542,
&end
#
# 95 ALA HN 0 AMB m:16589 6.00 (# 16589.1 Single Ambig [HG 110 QB 92] )
&rst
ixpk= 16589, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1726,1441,1442,
&end
#
# 0 AMB m:16593a 0 AMB m:16593b 5.20 (# 16593.1 Double Ambig [HN 98 HN 113] [QB 98 QB 112] )
&rst
ixpk= 16593, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1=1537,1764,
igr2=1541,1542,1749,1750,
&end
#
# 113 ILE HN 0 AMB m:16597 6.00 (# 16597.1 Single Ambig [HG 109 MB 120 QB 109] )
&rst
ixpk= 16597, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1707,1871,1872,1873,1704,1705,
&end
#
# 113 ILE HN 0 AMB m:16602 6.00 (# 16602.1 Single Ambig [HG 110 QB 109] )
&rst
ixpk= 16602, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1726,1704,1705,
&end
#
# 113 ILE HN 0 AMB m:16606 6.00 (# 16606.1 Single Ambig [QA 111 HA 121] )
&rst
ixpk= 16606, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1740,1741,1879,
&end
#
# 113 ILE HN 0 AMB m:16610 4.50 (# 16610.1 Single Ambig [HA 110 HA 131 HA 114] )
&rst
ixpk= 16610, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1721,2029,1785,
&end
#
# 115 GLU HN 0 AMB m:16615 6.00 (# 16615.1 Single Ambig [MD2 131 MG2 123 MG2 64] )
&rst
ixpk= 16615, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2=2040,2041,2042,1921,1922,1923, 995, 996, 997,
&end
#
# 114 ARG HN 0 AMB m:16623 5.20 (# 16623.1 Single Ambig [HA 112 QA 116] )
&rst
ixpk= 16623, nxpk= 0, iat=1783, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1747,1824,1825,
&end
#
# 112 LEU HN 0 AMB m:16627 6.00 (# 16627.1 Single Ambig [QB 110 MB 121] )
&rst
ixpk= 16627, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=1723,1724,1881,1882,1883,
&end
#
# 112 LEU HN 0 AMB m:16631 6.00 (# 16631.1 Single Ambig [MB 120 MG2 31] )
&rst
ixpk= 16631, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1871,1872,1873, 488, 489, 490,
&end
#
# 112 LEU HN 0 AMB m:16635 6.00 (# 16635.1 Single Ambig [QB 109 HG 110 QB 90] )
&rst
ixpk= 16635, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=1704,1705,1726,1411,1412,
&end
#
# 112 LEU HN 0 AMB m:16643 6.00 (# 16643.1 Single Ambig [QB 114 QB 38] )
&rst
ixpk= 16643, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1787,1788, 596, 597,
&end
#
# 23 ARG HE 20 GLU HA 5.80 (# 16647.1 Unique )
&rst
ixpk= 16647, nxpk= 0, iat= 374, 319, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 51 GLN QE2 39 VAL HB 6.00 (# 16653.1 Unique )
&rst
ixpk= 16653, nxpk= 0, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 797, 798,
&end
#
# 141 LEU HN 0 AMB m:16656 5.00 (# 16656.1 Single Ambig [HA 137 HA 139] )
&rst
ixpk= 16656, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2135,2168,
&end
#
# 27 ASN QD2 0 AMB m:16660 6.00 (# 16660.1 Single Ambig [MD2 22 MD1 22] )
&rst
ixpk= 16660, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 437, 438,
igr2= 355, 356, 357, 351, 352, 353,
&end
#
# 27 ASN QD2 0 AMB m:16671 5.60 (# 16671.1 Single Ambig [MD2 22 MD1 22] )
&rst
ixpk= 16671, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1= 437, 438,
igr2= 355, 356, 357, 351, 352, 353,
&end
#
# 27 ASN QD2 0 AMB m:16681 6.00 (# 16681.1 Single Ambig [QB 73 QB 74] )
&rst
ixpk= 16681, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 437, 438,
igr2=1124,1125,1139,1140,
&end
#
# 27 ASN QD2 0 AMB m:16685 6.00 (# 16685.1 Single Ambig [QB 74 ME 74] )
&rst
ixpk= 16685, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 437, 438,
igr2=1139,1140,1146,1147,1148,
&end
#
# 136 GLN QE2 136 GLN QB 6.00 (# 16689.1 Unique )
&rst
ixpk= 16689, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2128,2129,
igr2=2120,2121,
&end
#
# 27 ASN QD2 75 SER QB 6.00 (# 16693.1 Unique )
&rst
ixpk= 16693, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 437, 438,
igr2=1156,1157,
&end
#
# 0 AMB m:16699a 0 AMB m:16699b 6.00 (# 16699.1 Double Ambig [QE2 136 QD2 27] [HA 132 HA 73] )
&rst
ixpk= 16699, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2128,2129, 437, 438,
igr2=2048,1122,
&end
#
# 28 ASN QD2 26 HIS HA 6.00 (# 16706.1 Unique )
&rst
ixpk= 16706, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 451, 452,
&end
#
# 132 ASN QD2 131 LEU QB 6.00 (# 16730.1 Unique )
&rst
ixpk= 16730, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2055,2056,
igr2=2031,2032,
&end
#
# 132 ASN QD2 131 LEU QB 6.00 (# 16733.1 Unique )
&rst
ixpk= 16733, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2055,2056,
igr2=2031,2032,
&end
#
# 11 GLN QE2 10 ALA HN 6.00 (# 16736.1 Unique )
&rst
ixpk= 16736, nxpk= 0, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 184, 185,
&end
#
# 18 GLN QE2 0 AMB m:16739 6.00 (# 16739.1 Single Ambig [QG1 78 MG2 77] )
&rst
ixpk= 16739, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 297, 298,
igr2=1204,1205,1186,1187,1188,
&end
#
# 61 GLN QE2 36 LEU HG 6.00 (# 16749.1 Unique )
&rst
ixpk= 16749, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 943, 944,
&end
#
# 61 GLN QE2 36 LEU QB 5.60 (# 16752.1 Unique )
&rst
ixpk= 16752, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 943, 944,
igr2= 570, 571,
&end
#
# 61 GLN QE2 36 LEU HG 4.60 (# 16755.1 Unique )
&rst
ixpk= 16755, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 943, 944,
&end
#
# 72 GLN QE2 0 AMB m:16761 6.00 (# 16761.1 Single Ambig [MB 21 MD1 24 MD 68 HN 30] )
&rst
ixpk= 16761, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1=1115,1116,
igr2= 336, 337, 338, 394, 395, 396,1059,1060,1061, 475,
&end
#
# 0 AMB m:16777a 0 AMB m:16777b 6.00 (# 16777.1 Double Ambig [QE2 72 QE2 76] [HN 72 HN 74 HN 27] )
&rst
ixpk= 16777, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1115,1116,1175,1176,
igr2=1103,1135, 428,
&end
#
# 136 GLN QE2 132 ASN HA 5.80 (# 16803.1 Unique )
&rst
ixpk= 16803, nxpk= 0, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=2128,2129,
&end
#
# 136 GLN QE2 133 LYS HA 5.80 (# 16806.1 Unique )
&rst
ixpk= 16806, nxpk= 0, iat= -1,2062, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=2128,2129,
&end
#
# 137 GLN QE2 141 LEU QB 5.00 (# 16814.1 Unique )
&rst
ixpk= 16814, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2145,2146,
igr2=2206,2207,
&end
#
# 137 GLN QE2 0 AMB m:16817 6.00 (# 16817.1 Single Ambig [HN 138 HN 139] )
&rst
ixpk= 16817, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2145,2146,
igr2=2150,2166,
&end
#
# 137 GLN QE2 0 AMB m:16821 6.00 (# 16821.1 Single Ambig [HN 140 HN 144] )
&rst
ixpk= 16821, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2145,2146,
igr2=2185,2247,
&end
#
# 137 GLN QE2 141 LEU QB 5.60 (# 16828.1 Unique )
&rst
ixpk= 16828, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=2145,2146,
igr2=2206,2207,
&end
#
# 137 GLN QE2 141 LEU HA 6.00 (# 16831.1 Unique )
&rst
ixpk= 16831, nxpk= 0, iat= -1,2204, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2145,2146,
&end
#
# 137 GLN QE2 0 AMB m:16834 6.00 (# 16834.1 Single Ambig [HN 138 HN 139] )
&rst
ixpk= 16834, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2145,2146,
igr2=2150,2166,
&end
#
# 137 GLN QE2 0 AMB m:16838 6.00 (# 16838.1 Single Ambig [HN 140 HN 144] )
&rst
ixpk= 16838, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2145,2146,
igr2=2185,2247,
&end
#
# 11 GLN QE2 0 AMB m:16845 4.50 (# 16845.1 Single Ambig [HN 10 HN 12]; orig = 4.00 )
&rst
ixpk= 16845, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 184, 185,
igr2= 162, 189,
&end
#
# 18 GLN QE2 0 AMB m:16856 6.00 (# 16856.1 Single Ambig [MG2 77 QG1 78] )
&rst
ixpk= 16856, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 297, 298,
igr2=1186,1187,1188,1204,1205,
&end
#
# 23 ARG HE 23 ARG QB 5.80 (# 16860.1 Unique )
&rst
ixpk= 16860, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 365, 366,
&end
#
# 23 ARG HE 23 ARG QB 6.00 (# 16863.1 Unique )
&rst
ixpk= 16863, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 365, 366,
&end
#
# 23 ARG HE 23 ARG QB 6.00 (# 16866.1 Unique )
&rst
ixpk= 16866, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 365, 366,
&end
#
# 23 ARG HE 23 ARG QB 6.00 (# 16869.1 Unique )
&rst
ixpk= 16869, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 365, 366,
&end
#
# 5 ARG HE 5 ARG QB 6.00 (# 16877.1 Unique )
&rst
ixpk= 16877, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 69, 70,
&end
#
# 114 ARG HE 114 ARG QB 6.00 (# 16880.1 Unique )
&rst
ixpk= 16880, nxpk= 0, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1787,1788,
&end
#
# 114 ARG HE 114 ARG QB 6.00 (# 16883.1 Unique )
&rst
ixpk= 16883, nxpk= 0, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1787,1788,
&end
#
# 96 ARG HE 96 ARG QB 6.00 (# 16889.1 Unique )
&rst
ixpk= 16889, nxpk= 0, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1495,1496,
&end
#
# 40 ARG HE 40 ARG HA 6.00 (# 16893.1 Unique )
&rst
ixpk= 16893, nxpk= 0, iat= 640, 629, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 ARG HE 16 LEU QB 6.00 (# 16896.1 Unique )
&rst
ixpk= 16896, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 260, 261,
&end
#
# 9 ARG HE 9 ARG QB 6.00 (# 16905.1 Unique )
&rst
ixpk= 16905, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 142, 143,
&end
#
# 9 ARG HE 9 ARG QB 5.20 (# 16908.1 Unique )
&rst
ixpk= 16908, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 142, 143,
&end
#
# 102 TYR HA 103 VAL HN 3.10 (# 16924.1 Unique )
&rst
ixpk= 16924, nxpk= 0, iat=1593,1612, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 72 GLN HA 72 GLN HN 3.10 (# 16927.1 Unique )
&rst
ixpk= 16927, nxpk= 0, iat=1105,1103, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 15 ALA HA 15 ALA HN 3.30 (# 16930.1 Unique )
&rst
ixpk= 16930, nxpk= 0, iat= 248, 246, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 84 ALA HA 0 AMB m:16933 3.10 (# 16933.1 Single Ambig [HN 87 HN 84] )
&rst
ixpk= 16933, nxpk= 0, iat=1305, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1357,1303,
&end
#
# 134 ALA HA 137 GLN HN 4.50 (# 16937.1 Unique; orig = 3.40 )
&rst
ixpk= 16937, nxpk= 0, iat=2084,2133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 ALA HA 47 ALA HN 3.30 (# 16940.1 Unique )
&rst
ixpk= 16940, nxpk= 0, iat= 726, 724, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB m:16943a 0 AMB m:16943b 3.10 (# 16943.1 Double Ambig [HA 95 HA 21] [HD2 107 HD2 33] )
&rst
ixpk= 16943, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1483, 334,
igr2=1677, 524,
&end
#
# 0 AMB m:16950 33 HIS HA 3.30 (# 16950.1 Single Ambig [MD2 36 MD1 36] )
&rst
ixpk= 16950, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 579, 580, 581, 575, 576, 577,
&end
#
# 139 LEU MD1 136 GLN HA 4.50 (# 16957.1 Unique; orig = 3.40 )
&rst
ixpk= 16957, nxpk= 0, iat= -1,2118, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2175,2176,2177,
&end
#
# 131 LEU MD1 0 AMB m:16960 3.80 (# 16960.1 Single Ambig [HA 131 HA 114] )
&rst
ixpk= 16960, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=2036,2037,2038,
igr2=2029,1785,
&end
#
# 16 LEU MD1 41 GLU HA 4.30 (# 16964.1 Unique )
&rst
ixpk= 16964, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 265, 266, 267,
&end
#
# 112 LEU MD2 112 LEU HA 2.70 (# 16967.1 Unique )
&rst
ixpk= 16967, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1758,1759,1760,
&end
#
# 50 LEU MD1 0 AMB m:16970 3.10 (# 16970.1 Single Ambig [HA 47 HA 50] )
&rst
ixpk= 16970, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 775, 776, 777,
igr2= 726, 768,
&end
#
# 16 LEU MD1 13 VAL HA 3.30 (# 16974.1 Unique )
&rst
ixpk= 16974, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 265, 266, 267,
&end
#
# 126 ASN HA 126 ASN QB 3.10 (# 16977.1 Unique )
&rst
ixpk= 16977, nxpk= 0, iat=1962, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1964,1965,
&end
#
# 74 MET HA 74 MET QB 3.30 (# 16989.1 Unique )
&rst
ixpk= 16989, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1139,1140,
&end
#
# 36 LEU MD2 20 GLU QB 3.10 (# 16993.1 Unique )
&rst
ixpk= 16993, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 579, 580, 581,
igr2= 321, 322,
&end
#
# 110 LEU MD1 110 LEU HG 2.60 (# 16997.1 Unique )
&rst
ixpk= 16997, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1=1728,1729,1730,
&end
#
# 0 AMB m:17000 16 LEU QB 2.90 (# 17000.1 Single Ambig [MD1 16 MD2 16] )
&rst
ixpk= 17000, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 265, 266, 267, 269, 270, 271,
igr2= 260, 261,
&end
#
# 53 LEU MD1 137 GLN QB 2.80 (# 17005.1 Unique )
&rst
ixpk= 17005, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 821, 822, 823,
igr2=2137,2138,
&end
#
# 112 LEU MD2 35 LEU QB 3.30 (# 17014.1 Unique )
&rst
ixpk= 17014, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=1758,1759,1760,
igr2= 551, 552,
&end
#
# 67 LEU HA 0 AMB m:17018 3.10 (# 17018.1 Single Ambig [QB 67 HG 67] )
&rst
ixpk= 17018, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1031,1032,1034,
&end
#
# 2 MET HA 2 MET QB 2.50 (# 17023.1 Unique )
&rst
ixpk= 17023, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 25, 26,
&end
#
# 5 ARG HA 5 ARG QB 3.10 (# 17027.1 Unique )
&rst
ixpk= 17027, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 69, 70,
&end
#
# 97 LYS QB 97 LYS QB 3.10 (# 17034.1 Unique )
#This appears to be self-referential: ignoring
#
# 97 LYS QB 97 LYS QB 2.20 (# 17039.1 Unique )
#This appears to be self-referential: ignoring
#
# 0 AMB m:17045a 0 AMB m:17045b 2.60 (# 17045.1 Double Ambig [MD2 24 MD1 24] [HG 24 QB 24] )
&rst
ixpk= 17045, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 398, 399, 400, 394, 395, 396,
igr2= 392, 389, 390,
&end
#
# 110 LEU MD1 110 LEU QB 2.80 (# 17057.1 Unique )
&rst
ixpk= 17057, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1728,1729,1730,
igr2=1723,1724,
&end
#
# 0 AMB m:17061a 0 AMB m:17061b 2.50 (# 17061.1 Double Ambig [MD2 98 MD1 98 MD1 131] [HG 98 QB 131] )
&rst
ixpk= 17061, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1550,1551,1552,1546,1547,1548,2036,2037,2038,
igr2=1544,2031,2032,
&end
#
# 131 LEU MD1 131 LEU HG 2.50 (# 17066.1 Unique )
&rst
ixpk= 17066, nxpk= 0, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=2036,2037,2038,
&end
#
# 139 LEU MD1 135 ARG QB 3.10 (# 17069.1 Unique )
&rst
ixpk= 17069, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=2175,2176,2177,
igr2=2096,2097,
&end
#
# 0 AMB m:17075 16 LEU HG 2.40 (# 17075.1 Single Ambig [MD2 16 MD1 16] )
&rst
ixpk= 17075, nxpk= 0, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 269, 270, 271, 265, 266, 267,
&end
#
# 90 LEU MD1 90 LEU HG 2.60 (# 17079.1 Unique )
&rst
ixpk= 17079, nxpk= 0, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1=1416,1417,1418,
&end
#
# 53 LEU MD1 0 AMB m:17082 2.40 (# 17082.1 Single Ambig [HG 53 QB 53] )
&rst
ixpk= 17082, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 821, 822, 823,
igr2= 819, 816, 817,
&end
#
# 38 LEU MD2 38 LEU HG 2.20 (# 17087.1 Unique )
&rst
ixpk= 17087, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 605, 606, 607,
&end
#
# 53 LEU MD1 53 LEU QB 3.00 (# 17090.1 Unique )
&rst
ixpk= 17090, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 821, 822, 823,
igr2= 816, 817,
&end
#
# 22 LEU MD1 22 LEU QB 2.80 (# 17094.1 Unique )
&rst
ixpk= 17094, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 351, 352, 353,
igr2= 346, 347,
&end
#
# 124 LEU MD1 124 LEU HG 2.50 (# 17098.1 Unique )
&rst
ixpk= 17098, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1936,1937,1938,
&end
#
# 50 LEU MD1 50 LEU QB 2.80 (# 17105.1 Unique )
&rst
ixpk= 17105, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 775, 776, 777,
igr2= 770, 771,
&end
#
# 67 LEU HA 67 LEU QB 3.10 (# 17109.1 Unique )
&rst
ixpk= 17109, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1031,1032,
&end
#
# 15 ALA HA 15 ALA MB 2.50 (# 17113.1 Unique )
&rst
ixpk= 17113, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 250, 251, 252,
&end
#
# 120 ALA HA 120 ALA MB 2.50 (# 17119.1 Unique )
&rst
ixpk= 17119, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1871,1872,1873,
&end
#
# 0 AMB m:17122a 0 AMB m:17122b 2.80 (# 17122.1 Double Ambig [MD1 131 MD2 98 MD1 98] [QB 131 QB 98] )
&rst
ixpk= 17122, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2036,2037,2038,1550,1551,1552,1546,1547,1548,
igr2=2031,2032,1541,1542,
&end
#
# 139 LEU MD1 139 LEU QB 2.80 (# 17129.1 Unique )
&rst
ixpk= 17129, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2175,2176,2177,
igr2=2170,2171,
&end
#
# 67 LEU MD1 67 LEU QB 2.50 (# 17133.1 Unique )
&rst
ixpk= 17133, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1036,1037,1038,
igr2=1031,1032,
&end
#
# 38 LEU MD2 0 AMB m:17137 2.60 (# 17137.1 Single Ambig [MB 46 MG2 105] )
&rst
ixpk= 17137, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 605, 606, 607,
igr2= 718, 719, 720,1641,1642,1643,
&end
#
# 112 LEU MD2 0 AMB m:17144 3.10 (# 17144.1 Single Ambig [MB 120 MG2 31] )
&rst
ixpk= 17144, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1758,1759,1760,
igr2=1871,1872,1873, 488, 489, 490,
&end
#
# 134 ALA HA 134 ALA MB 2.50 (# 17148.1 Unique )
&rst
ixpk= 17148, nxpk= 0, iat=2084, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=2086,2087,2088,
&end
#
# 53 LEU MD1 53 LEU MD2 2.50 (# 17151.1 Unique )
&rst
ixpk= 17151, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1= 821, 822, 823,
igr2= 825, 826, 827,
&end
#
# 112 LEU MD2 112 LEU QB 2.60 (# 17154.1 Unique )
&rst
ixpk= 17154, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1=1758,1759,1760,
igr2=1749,1750,
&end
#
# 67 LEU HA 67 LEU MD2 2.80 (# 17158.1 Unique )
&rst
ixpk= 17158, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1040,1041,1042,
&end
#
# 134 ALA HA 129 VAL MG1 3.50 (# 17161.1 Unique; orig = 2.80 )
&rst
ixpk= 17161, nxpk= 0, iat=2084, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2006,2007,2008,
&end
#
# 47 ALA HA 50 LEU MD1 3.10 (# 17165.1 Unique )
&rst
ixpk= 17165, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 775, 776, 777,
&end
#
# 46 ALA HA 0 AMB m:17168 2.80 (# 17168.1 Single Ambig [MD2 109 MG1 138] )
&rst
ixpk= 17168, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1713,1714,1715,2156,2157,2158,
&end
#
# 95 ALA HA 95 ALA MB 2.60 (# 17172.1 Unique )
&rst
ixpk= 17172, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2=1485,1486,1487,
&end
#
# 38 LEU HG 0 AMB m:17175 2.50 (# 17175.1 Single Ambig [MD2 38 MD1 38] )
&rst
ixpk= 17175, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 605, 606, 607, 601, 602, 603,
&end
#
# 52 ALA HA 52 ALA HN 3.00 (# 17182.1 Unique )
&rst
ixpk= 17182, nxpk= 0, iat= 804, 802, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 123 VAL MG2 123 VAL HN 2.20 (# 17188.1 Unique )
&rst
ixpk= 17188, nxpk= 0, iat= -1,1911, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1=1921,1922,1923,
&end
#
# 145 ASN HA 145 ASN HN 3.10 (# 17191.1 Unique )
&rst
ixpk= 17191, nxpk= 0, iat=2260,2258, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 87 VAL MG2 0 AMB m:17194 2.50 (# 17194.1 Single Ambig [HN 87 HN 115] )
&rst
ixpk= 17194, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1367,1368,1369,
igr2=1357,1807,
&end
#
# 13 VAL MG1 13 VAL HN 2.20 (# 17198.1 Unique )
&rst
ixpk= 17198, nxpk= 0, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 217, 218, 219,
&end
#
# 14 LEU MD1 6 PHE HD 3.10 (# 17201.1 Unique )
&rst
ixpk= 17201, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 236, 237, 238,
igr2= 97, 105,
&end
#
# 13 VAL MG1 38 LEU HA 2.70 (# 17204.1 Unique )
&rst
ixpk= 17204, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 217, 218, 219,
&end
#
# 87 VAL MG2 112 LEU HA 2.60 (# 17207.1 Unique )
&rst
ixpk= 17207, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1=1367,1368,1369,
&end
#
# 131 LEU MD2 0 AMB m:17213 2.70 (# 17213.1 Single Ambig [HA 114 HA 131] )
&rst
ixpk= 17213, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=2040,2041,2042,
igr2=1785,2029,
&end
#
# 13 VAL MG1 13 VAL HA 3.50 (# 17217.1 Unique; orig = 2.50 )
&rst
ixpk= 17217, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 217, 218, 219,
&end
#
# 64 VAL MG2 0 AMB m:17220 3.60 (# 17220.1 Single Ambig [HA 61 HA 120] )
&rst
ixpk= 17220, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 995, 996, 997,
igr2= 933,1869,
&end
#
# 145 ASN HA 145 ASN QB 2.80 (# 17233.1 Unique )
&rst
ixpk= 17233, nxpk= 0, iat=2260, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2262,2263,
&end
#
# 72 GLN HA 72 GLN QB 3.50 (# 17237.1 Unique )
&rst
ixpk= 17237, nxpk= 0, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1107,1108,
&end
#
# 13 VAL MG1 41 GLU QG 2.80 (# 17241.1 Unique )
&rst
ixpk= 17241, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 217, 218, 219,
igr2= 658, 659,
&end
#
# 0 AMB m:17245a 0 AMB m:17245b 2.60 (# 17245.1 Double Ambig [MG2 87 MG1 13] [QB 115 QB 41] )
&rst
ixpk= 17245, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1367,1368,1369, 217, 218, 219,
igr2=1811,1812, 655, 656,
&end
#
# 72 GLN HA 72 GLN QB 2.80 (# 17250.1 Unique )
&rst
ixpk= 17250, nxpk= 0, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1107,1108,
&end
#
# 87 VAL MG2 115 GLU QG 3.10 (# 17254.1 Unique )
&rst
ixpk= 17254, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1367,1368,1369,
igr2=1814,1815,
&end
#
# 64 VAL MG2 64 VAL HB 2.20 (# 17258.1 Unique )
&rst
ixpk= 17258, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 995, 996, 997,
&end
#
# 123 VAL MG2 0 AMB m:17261 4.30 (# 17261.1 Single Ambig [HB 64 QG 63] )
&rst
ixpk= 17261, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1921,1922,1923,
igr2= 989, 977, 978,
&end
#
# 123 VAL MG2 0 AMB m:17266 2.20 (# 17266.1 Single Ambig [HB 123 QB 63] )
&rst
ixpk= 17266, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1=1921,1922,1923,
igr2=1915, 974, 975,
&end
#
# 127 LEU HA 127 LEU QB 3.10 (# 17271.1 Unique )
&rst
ixpk= 17271, nxpk= 0, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1978,1979,
&end
#
# 53 LEU HA 0 AMB m:17275 3.10 (# 17275.1 Single Ambig [QB 53 HG 53] )
&rst
ixpk= 17275, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 816, 817, 819,
&end
#
# 13 VAL MG1 38 LEU HG 4.10 (# 17284.1 Unique )
&rst
ixpk= 17284, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 217, 218, 219,
&end
#
# 131 LEU MD2 131 LEU QB 2.90 (# 17287.1 Unique )
&rst
ixpk= 17287, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=2040,2041,2042,
igr2=2031,2032,
&end
#
# 131 LEU MD2 0 AMB m:17291 2.60 (# 17291.1 Single Ambig [HG 131 QB 131] )
&rst
ixpk= 17291, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=2040,2041,2042,
igr2=2034,2031,2032,
&end
#
# 14 LEU MD1 0 AMB m:17296 2.50 (# 17296.1 Single Ambig [HG 14 QB 14] )
&rst
ixpk= 17296, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1= 236, 237, 238,
igr2= 234, 231, 232,
&end
#
# 17 ALA HA 17 ALA MB 2.50 (# 17301.1 Unique )
&rst
ixpk= 17301, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 279, 280, 281,
&end
#
# 14 LEU MD1 14 LEU QB 3.00 (# 17304.1 Unique )
&rst
ixpk= 17304, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 236, 237, 238,
igr2= 231, 232,
&end
#
# 24 LEU HA 0 AMB m:17308 2.50 (# 17308.1 Single Ambig [MD2 24 MD1 24] )
&rst
ixpk= 17308, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 398, 399, 400, 394, 395, 396,
&end
#
# 49 ALA HA 141 LEU MD2 2.80 (# 17312.1 Unique )
&rst
ixpk= 17312, nxpk= 0, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2215,2216,2217,
&end
#
# 13 VAL MG1 13 VAL MG2 2.20 (# 17315.1 Unique )
&rst
ixpk= 17315, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1= 217, 218, 219,
igr2= 221, 222, 223,
&end
#
# 64 VAL MG2 0 AMB m:17318 2.20 (# 17318.1 Single Ambig [MG1 64 MG1 123] )
&rst
ixpk= 17318, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 995, 996, 997,
igr2= 991, 992, 993,1917,1918,1919,
&end
#
# 131 LEU MD2 113 ILE MD 4.60 (# 17322.1 Unique )
&rst
ixpk= 17322, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=2040,2041,2042,
igr2=1777,1778,1779,
&end
#
# 123 VAL MG2 0 AMB m:17325 2.20 (# 17325.1 Single Ambig [MG1 123 MG1 119] )
&rst
ixpk= 17325, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1=1921,1922,1923,
igr2=1917,1918,1919,1857,1858,1859,
&end
#
# 14 LEU MD1 14 LEU MD2 2.50 (# 17329.1 Unique )
&rst
ixpk= 17329, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1= 236, 237, 238,
igr2= 240, 241, 242,
&end
#
# 119 VAL MG2 119 VAL HN 3.50 (# 17332.1 Unique; orig = 2.80 )
&rst
ixpk= 17332, nxpk= 0, iat= -1,1851, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1861,1862,1863,
&end
#
# 22 LEU MD2 22 LEU HA 3.10 (# 17338.1 Unique )
&rst
ixpk= 17338, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 355, 356, 357,
&end
#
# 119 VAL MG2 119 VAL HA 2.30 (# 17341.1 Unique )
&rst
ixpk= 17341, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1=1861,1862,1863,
&end
#
# 119 VAL MG2 0 AMB m:17344 2.20 (# 17344.1 Single Ambig [HB 119 QG 32] )
&rst
ixpk= 17344, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1=1861,1862,1863,
igr2=1855, 503, 504,
&end
#
# 7 THR MG2 7 THR HN 2.50 (# 17351.1 Unique )
&rst
ixpk= 17351, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 115, 116, 117,
&end
#
# 81 THR MG2 81 THR HN 2.50 (# 17354.1 Unique )
&rst
ixpk= 17354, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1257,1258,1259,
&end
#
# 138 VAL MG2 138 VAL HN 2.30 (# 17360.1 Unique )
&rst
ixpk= 17360, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1=2160,2161,2162,
&end
#
# 129 VAL MG2 129 VAL HN 2.50 (# 17363.1 Unique )
&rst
ixpk= 17363, nxpk= 0, iat= -1,2000, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=2010,2011,2012,
&end
#
# 103 VAL MG1 6 PHE HD 3.10 (# 17366.1 Unique )
&rst
ixpk= 17366, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1618,1619,1620,
igr2= 97, 105,
&end
#
# 7 THR MG2 102 TYR HD 3.10 (# 17369.1 Unique )
&rst
ixpk= 17369, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 115, 116, 117,
igr2=1599,1608,
&end
#
# 81 THR MG2 0 AMB m:17372 3.30 (# 17372.1 Single Ambig [QA 30 HA 80] )
&rst
ixpk= 17372, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1257,1258,1259,
igr2= 477, 478,1232,
&end
#
# 7 THR MG2 7 THR HB 2.60 (# 17377.1 Unique )
&rst
ixpk= 17377, nxpk= 0, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 115, 116, 117,
&end
#
# 81 THR MG2 81 THR HB 2.70 (# 17380.1 Unique )
&rst
ixpk= 17380, nxpk= 0, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1257,1258,1259,
&end
#
# 127 LEU MD2 127 LEU HA 3.50 (# 17383.1 Unique; orig = 2.40 )
&rst
ixpk= 17383, nxpk= 0, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1987,1988,1989,
&end
#
# 0 AMB m:17386a 0 AMB m:17386b 2.30 (# 17386.1 Double Ambig [MG2 105 MG2 31] [HB 105 HB 31] )
&rst
ixpk= 17386, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1641,1642,1643, 488, 489, 490,
igr2=1639, 486,
&end
#
# 53 LEU MD2 53 LEU HA 3.50 (# 17390.1 Unique; orig = 2.50 )
&rst
ixpk= 17390, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 825, 826, 827,
&end
#
# 141 LEU MD1 141 LEU HA 2.40 (# 17393.1 Unique )
&rst
ixpk= 17393, nxpk= 0, iat= -1,2204, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr1=2211,2212,2213,
&end
#
# 0 AMB m:17396a 0 AMB m:17396b 2.50 (# 17396.1 Double Ambig [MD2 24 MD2 98 MD1 98] [HA 24 HA 98] )
&rst
ixpk= 17396, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 398, 399, 400,1550,1551,1552,1546,1547,1548,
igr2= 387,1539,
&end
#
# 16 LEU MD2 16 LEU HA 2.50 (# 17401.1 Unique )
&rst
ixpk= 17401, nxpk= 0, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 269, 270, 271,
&end
#
# 103 VAL MG1 0 AMB m:17404 2.70 (# 17404.1 Single Ambig [HA 103 QB 91] )
&rst
ixpk= 17404, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1618,1619,1620,
igr2=1614,1430,1431,
&end
#
# 31 THR MG2 84 ALA HA 2.80 (# 17412.1 Unique )
&rst
ixpk= 17412, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 488, 489, 490,
&end
#
# 142 LEU MD2 144 SER QB 6.00 (# 17415.1 Unique; orig = 3.60 )
&rst
ixpk= 17415, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2234,2235,2236,
igr2=2251,2252,
&end
#
# 138 VAL MG2 49 ALA HA 4.50 (# 17419.1 Unique )
&rst
ixpk= 17419, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2160,2161,2162,
&end
#
# 138 VAL MG2 0 AMB m:17422 3.10 (# 17422.1 Single Ambig [HA 46 HA 135] )
&rst
ixpk= 17422, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=2160,2161,2162,
igr2= 716,2094,
&end
#
# 139 LEU MD2 139 LEU HA 2.20 (# 17426.1 Unique )
&rst
ixpk= 17426, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1=2179,2180,2181,
&end
#
# 36 LEU MD1 36 LEU HA 2.30 (# 17432.1 Unique )
&rst
ixpk= 17432, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1= 575, 576, 577,
&end
#
# 0 AMB m:17435 129 VAL HA 2.50 (# 17435.1 Single Ambig [MG1 129 MG2 129] )
&rst
ixpk= 17435, nxpk= 0, iat= -1,2002, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2006,2007,2008,2010,2011,2012,
&end
#
# 50 LEU MD2 50 LEU HA 2.30 (# 17442.1 Unique )
&rst
ixpk= 17442, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1= 779, 780, 781,
&end
#
# 124 LEU MD2 124 LEU HA 2.50 (# 17445.1 Unique )
&rst
ixpk= 17445, nxpk= 0, iat= -1,1929, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1940,1941,1942,
&end
#
# 103 VAL MG1 0 AMB m:17448 3.10 (# 17448.1 Single Ambig [QB 107 HA 92] )
&rst
ixpk= 17448, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1618,1619,1620,
igr2=1668,1669,1439,
&end
#
# 7 THR MG2 9 ARG QB 6.00 (# 17453.1 Unique; orig = 3.10 )
&rst
ixpk= 17453, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 115, 116, 117,
igr2= 142, 143,
&end
#
# 81 THR MG2 83 ARG QB 4.50 (# 17457.1 Unique; orig = 3.30 )
&rst
ixpk= 17457, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1257,1258,1259,
igr2=1283,1284,
&end
#
# 138 VAL MG2 138 VAL HA 2.60 (# 17464.1 Unique )
&rst
ixpk= 17464, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1=2160,2161,2162,
&end
#
# 0 AMB m:17470 40 ARG QB 3.30 (# 17470.1 Single Ambig [MD1 16 MD2 16] )
&rst
ixpk= 17470, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 265, 266, 267, 269, 270, 271,
igr2= 631, 632,
&end
#
# 103 VAL MG1 107 HIS QB 3.00 (# 17475.1 Unique )
&rst
ixpk= 17475, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1618,1619,1620,
igr2=1668,1669,
&end
#
# 7 THR MG2 102 TYR QB 3.60 (# 17479.1 Unique )
&rst
ixpk= 17479, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 115, 116, 117,
igr2=1595,1596,
&end
#
# 81 THR MG2 28 ASN QB 2.90 (# 17485.1 Unique )
&rst
ixpk= 17485, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1257,1258,1259,
igr2= 446, 447,
&end
#
# 31 THR MG2 83 ARG QB 3.10 (# 17489.1 Unique )
&rst
ixpk= 17489, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 488, 489, 490,
igr2=1283,1284,
&end
#
# 138 VAL MG2 138 VAL HB 2.20 (# 17493.1 Unique )
&rst
ixpk= 17493, nxpk= 0, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1=2160,2161,2162,
&end
#
# 138 VAL MG2 0 AMB m:17496 3.00 (# 17496.1 Single Ambig [QB 137 QB 109] )
&rst
ixpk= 17496, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2160,2161,2162,
igr2=2137,2138,1704,1705,
&end
#
# 0 AMB m:17501 129 VAL HB 2.30 (# 17501.1 Single Ambig [MG2 129 MG1 129] )
&rst
ixpk= 17501, nxpk= 0, iat= -1,2004, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr1=2010,2011,2012,2006,2007,2008,
&end
#
# 110 LEU MD2 110 LEU HG 2.50 (# 17505.1 Unique )
&rst
ixpk= 17505, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1732,1733,1734,
&end
#
# 105 THR MG2 9 ARG QB 3.30 (# 17508.1 Unique )
&rst
ixpk= 17508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=1641,1642,1643,
igr2= 142, 143,
&end
#
# 53 LEU MD2 0 AMB m:17515 2.40 (# 17515.1 Single Ambig [HG 53 QB 53] )
&rst
ixpk= 17515, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 825, 826, 827,
igr2= 819, 816, 817,
&end
#
# 53 LEU MD2 53 LEU QB 2.90 (# 17524.1 Unique )
&rst
ixpk= 17524, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 825, 826, 827,
igr2= 816, 817,
&end
#
# 142 LEU MD2 142 LEU QB 2.80 (# 17528.1 Unique )
&rst
ixpk= 17528, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2234,2235,2236,
igr2=2225,2226,
&end
#
# 0 AMB m:17532 141 LEU HG 2.20 (# 17532.1 Single Ambig [MD1 141 MD2 141] )
&rst
ixpk= 17532, nxpk= 0, iat= -1,2209, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1=2211,2212,2213,2215,2216,2217,
&end
#
# 0 AMB m:17541 98 LEU HG 2.40 (# 17541.1 Single Ambig [MD2 98 MD1 98] )
&rst
ixpk= 17541, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1550,1551,1552,1546,1547,1548,
&end
#
# 0 AMB m:17545a 0 AMB m:17545b 2.20 (# 17545.1 Double Ambig [MD2 16 MD1 16 MD2 127 MD2 36] [HG 16 HG 127 QB 36] )
&rst
ixpk= 17545, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 269, 270, 271, 265, 266, 267,1987,1988,1989, 579,
580, 581,
igr2= 263,1981, 570, 571,
&end
#
# 0 AMB m:17552 24 LEU QB 2.40 (# 17552.1 Single Ambig [MD2 24 MD1 24] )
&rst
ixpk= 17552, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1= 398, 399, 400, 394, 395, 396,
igr2= 389, 390,
&end
#
# 50 LEU MD2 50 LEU HG 2.50 (# 17557.1 Unique )
&rst
ixpk= 17557, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 779, 780, 781,
&end
#
# 124 LEU MD2 124 LEU HG 2.30 (# 17564.1 Unique )
&rst
ixpk= 17564, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1=1940,1941,1942,
&end
#
# 0 AMB m:17570 141 LEU QB 2.50 (# 17570.1 Single Ambig [MD2 141 MD1 141] )
&rst
ixpk= 17570, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2215,2216,2217,2211,2212,2213,
igr2=2206,2207,
&end
#
# 138 VAL MG2 0 AMB m:17575 3.30 (# 17575.1 Single Ambig [HG 109 QB 109] )
&rst
ixpk= 17575, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2160,2161,2162,
igr2=1707,1704,1705,
&end
#
# 139 LEU MD2 139 LEU QB 3.10 (# 17580.1 Unique )
&rst
ixpk= 17580, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=2179,2180,2181,
igr2=2170,2171,
&end
#
# 109 LEU MD1 0 AMB m:17584 2.30 (# 17584.1 Single Ambig [HG 109 QB 109] )
&rst
ixpk= 17584, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1=1709,1710,1711,
igr2=1707,1704,1705,
&end
#
# 0 AMB m:17588 98 LEU QB 3.10 (# 17588.1 Single Ambig [MD2 98 MD1 98] )
&rst
ixpk= 17588, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1550,1551,1552,1546,1547,1548,
igr2=1541,1542,
&end
#
# 35 LEU MD1 0 AMB m:17594 2.50 (# 17594.1 Single Ambig [HG 35 QB 35] )
&rst
ixpk= 17594, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1= 556, 557, 558,
igr2= 554, 551, 552,
&end
#
# 119 VAL MG1 67 LEU QB 3.00 (# 17603.1 Unique )
&rst
ixpk= 17603, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1857,1858,1859,
igr2=1031,1032,
&end
#
# 119 VAL MG1 32 GLU QB 2.70 (# 17607.1 Unique )
&rst
ixpk= 17607, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1857,1858,1859,
igr2= 500, 501,
&end
#
# 50 LEU MD2 50 LEU QB 2.90 (# 17611.1 Unique )
&rst
ixpk= 17611, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 779, 780, 781,
igr2= 770, 771,
&end
#
# 110 LEU MD2 110 LEU QB 3.10 (# 17615.1 Unique )
&rst
ixpk= 17615, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1732,1733,1734,
igr2=1723,1724,
&end
#
# 103 VAL MG1 103 VAL HB 2.70 (# 17619.1 Unique )
&rst
ixpk= 17619, nxpk= 0, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1618,1619,1620,
&end
#
# 110 LEU MD2 110 LEU MD1 2.20 (# 17631.1 Unique )
&rst
ixpk= 17631, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1=1732,1733,1734,
igr2=1728,1729,1730,
&end
#
# 35 LEU MD1 39 VAL MG2 4.50 (# 17634.1 Unique; orig = 3.30 )
&rst
ixpk= 17634, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 556, 557, 558,
igr2= 621, 622, 623,
&end
#
# 64 VAL MG1 64 VAL MG2 2.20 (# 17637.1 Unique )
&rst
ixpk= 17637, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1= 991, 992, 993,
igr2= 995, 996, 997,
&end
#
# 110 LEU MD2 134 ALA MB 4.50 (# 17640.1 Unique; orig = 3.30 )
&rst
ixpk= 17640, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1732,1733,1734,
igr2=2086,2087,2088,
&end
#
# 105 THR MG2 0 AMB m:17643 3.30 (# 17643.1 Single Ambig [MD2 38 MG2 13] )
&rst
ixpk= 17643, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1641,1642,1643,
igr2= 605, 606, 607, 221, 222, 223,
&end
#
# 109 LEU MD1 124 LEU MD2 3.50 (# 17647.1 Unique; orig = 2.30 )
&rst
ixpk= 17647, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1709,1710,1711,
igr2=1940,1941,1942,
&end
#
# 103 VAL MG1 95 ALA MB 3.50 (# 17650.1 Unique; orig = 2.50 )
&rst
ixpk= 17650, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1618,1619,1620,
igr2=1485,1486,1487,
&end
#
# 103 VAL MG1 103 VAL MG2 2.50 (# 17653.1 Unique )
&rst
ixpk= 17653, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=1618,1619,1620,
igr2=1622,1623,1624,
&end
#
# 28 ASN HA 29 ILE HN 2.50 (# 17656.1 Unique )
&rst
ixpk= 17656, nxpk= 0, iat= 444, 456, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 138 VAL MG1 0 AMB m:17659 3.80 (# 17659.1 Single Ambig [HN 138 HN 139] )
&rst
ixpk= 17659, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=2156,2157,2158,
igr2=2150,2166,
&end
#
# 39 VAL MG1 39 VAL HN 3.80 (# 17669.1 Unique )
&rst
ixpk= 17669, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 617, 618, 619,
&end
#
# 103 VAL MG2 6 PHE HD 3.50 (# 17675.1 Unique )
&rst
ixpk= 17675, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1622,1623,1624,
igr2= 97, 105,
&end
#
# 77 THR MG2 77 THR HA 3.30 (# 17678.1 Unique )
&rst
ixpk= 17678, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1186,1187,1188,
&end
#
# 90 LEU MD2 90 LEU HA 2.50 (# 17681.1 Unique )
&rst
ixpk= 17681, nxpk= 0, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1420,1421,1422,
&end
#
# 103 VAL MG2 103 VAL HA 2.80 (# 17687.1 Unique )
&rst
ixpk= 17687, nxpk= 0, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1622,1623,1624,
&end
#
# 77 THR MG2 77 THR HB 2.50 (# 17690.1 Unique )
&rst
ixpk= 17690, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1186,1187,1188,
&end
#
# 39 VAL MG1 39 VAL HA 2.50 (# 17693.1 Unique )
&rst
ixpk= 17693, nxpk= 0, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 617, 618, 619,
&end
#
# 39 VAL MG2 36 LEU HA 2.50 (# 17696.1 Unique )
&rst
ixpk= 17696, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 621, 622, 623,
&end
#
# 39 VAL MG2 39 VAL HA 3.50 (# 17699.1 Unique; orig = 2.80 )
&rst
ixpk= 17699, nxpk= 0, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 621, 622, 623,
&end
#
# 103 VAL MG2 92 MET HA 2.50 (# 17702.1 Unique )
&rst
ixpk= 17702, nxpk= 0, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1622,1623,1624,
&end
#
# 123 VAL MG1 123 VAL HA 2.60 (# 17711.1 Unique )
&rst
ixpk= 17711, nxpk= 0, iat= -1,1913, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1=1917,1918,1919,
&end
#
# 103 VAL MG2 92 MET QB 2.90 (# 17714.1 Unique )
&rst
ixpk= 17714, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1622,1623,1624,
igr2=1441,1442,
&end
#
# 39 VAL MG1 39 VAL HB 2.20 (# 17718.1 Unique )
&rst
ixpk= 17718, nxpk= 0, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 617, 618, 619,
&end
#
# 39 VAL MG2 39 VAL HB 2.30 (# 17721.1 Unique )
&rst
ixpk= 17721, nxpk= 0, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1= 621, 622, 623,
&end
#
# 138 VAL MG1 138 VAL HB 2.30 (# 17724.1 Unique )
&rst
ixpk= 17724, nxpk= 0, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1=2156,2157,2158,
&end
#
# 123 VAL MG1 63 GLU QG 3.40 (# 17727.1 Unique )
&rst
ixpk= 17727, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1917,1918,1919,
igr2= 977, 978,
&end
#
# 39 VAL MG2 60 ILE HB 2.90 (# 17734.1 Unique )
&rst
ixpk= 17734, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 621, 622, 623,
&end
#
# 119 VAL MG1 0 AMB m:17737 2.20 (# 17737.1 Single Ambig [HB 119 QB 32] )
&rst
ixpk= 17737, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1=1857,1858,1859,
igr2=1855, 500, 501,
&end
#
# 14 LEU MD2 0 AMB m:17742 2.50 (# 17742.1 Single Ambig [HG 14 QB 14] )
&rst
ixpk= 17742, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1= 240, 241, 242,
igr2= 234, 231, 232,
&end
#
# 138 VAL MG1 106 GLU QB 2.50 (# 17747.1 Unique )
&rst
ixpk= 17747, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2156,2157,2158,
igr2=1653,1654,
&end
#
# 14 LEU MD2 14 LEU QB 3.10 (# 17751.1 Unique )
&rst
ixpk= 17751, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 240, 241, 242,
igr2= 231, 232,
&end
#
# 103 VAL MG2 103 VAL HB 2.50 (# 17755.1 Unique )
&rst
ixpk= 17755, nxpk= 0, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1622,1623,1624,
&end
#
# 39 VAL MG1 39 VAL MG2 2.20 (# 17758.1 Unique )
&rst
ixpk= 17758, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1= 617, 618, 619,
igr2= 621, 622, 623,
&end
#
# 119 VAL MG1 119 VAL MG2 2.30 (# 17761.1 Unique )
&rst
ixpk= 17761, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1=1857,1858,1859,
igr2=1861,1862,1863,
&end
#
# 138 VAL MG1 0 AMB m:17764 4.00 (# 17764.1 Single Ambig [MB 49 QG 106] )
&rst
ixpk= 17764, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=2156,2157,2158,
igr2= 760, 761, 762,1656,1657,
&end
#
# 123 VAL MG1 123 VAL MG2 2.20 (# 17769.1 Unique )
&rst
ixpk= 17769, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1=1917,1918,1919,
igr2=1921,1922,1923,
&end
#
# 13 VAL MG2 38 LEU HN 3.60 (# 17775.1 Unique )
&rst
ixpk= 17775, nxpk= 0, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 221, 222, 223,
&end
#
# 46 ALA MB 46 ALA HN 2.50 (# 17778.1 Unique )
&rst
ixpk= 17778, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 718, 719, 720,
&end
#
# 120 ALA MB 120 ALA HN 2.50 (# 17781.1 Unique )
&rst
ixpk= 17781, nxpk= 0, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1871,1872,1873,
&end
#
# 46 ALA MB 47 ALA HN 2.90 (# 17784.1 Unique )
&rst
ixpk= 17784, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 718, 719, 720,
&end
#
# 46 ALA MB 105 THR HB 2.80 (# 17790.1 Unique )
&rst
ixpk= 17790, nxpk= 0, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 718, 719, 720,
&end
#
# 120 ALA MB 31 THR HB 2.70 (# 17793.1 Unique )
&rst
ixpk= 17793, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1871,1872,1873,
&end
#
# 13 VAL MG2 38 LEU HA 4.50 (# 17796.1 Unique; orig = 3.10 )
&rst
ixpk= 17796, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 221, 222, 223,
&end
#
# 46 ALA MB 46 ALA HA 2.20 (# 17799.1 Unique )
&rst
ixpk= 17799, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 718, 719, 720,
&end
#
# 120 ALA MB 0 AMB m:17802 3.10 (# 17802.1 Single Ambig [HA 32 HA 121] )
&rst
ixpk= 17802, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1871,1872,1873,
igr2= 498,1879,
&end
#
# 87 VAL MG1 112 LEU HA 3.00 (# 17806.1 Unique )
&rst
ixpk= 17806, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1363,1364,1365,
&end
#
# 13 VAL MG2 13 VAL HA 3.30 (# 17812.1 Unique )
&rst
ixpk= 17812, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 221, 222, 223,
&end
#
# 87 VAL MG1 87 VAL HB 2.30 (# 17818.1 Unique )
&rst
ixpk= 17818, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1=1363,1364,1365,
&end
#
# 13 VAL MG2 38 LEU HG 2.90 (# 17821.1 Unique )
&rst
ixpk= 17821, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 221, 222, 223,
&end
#
# 87 VAL MG1 0 AMB m:17824 3.40 (# 17824.1 Single Ambig [HG 112 QB 115] )
&rst
ixpk= 17824, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1363,1364,1365,
igr2=1752,1811,1812,
&end
#
# 87 VAL MG1 87 VAL MG2 2.20 (# 17828.1 Unique )
&rst
ixpk= 17828, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1=1363,1364,1365,
igr2=1367,1368,1369,
&end
#
# 46 ALA MB 38 LEU MD2 2.20 (# 17831.1 Unique )
&rst
ixpk= 17831, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1= 718, 719, 720,
igr2= 605, 606, 607,
&end
#
# 120 ALA MB 112 LEU MD2 2.80 (# 17834.1 Unique )
&rst
ixpk= 17834, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1871,1872,1873,
igr2=1758,1759,1760,
&end
#
# 120 ALA MB 112 LEU MD1 2.70 (# 17837.1 Unique )
&rst
ixpk= 17837, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1871,1872,1873,
igr2=1754,1755,1756,
&end
#
# 10 ALA MB 7 THR HN 2.80 (# 17843.1 Unique )
&rst
ixpk= 17843, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 166, 167, 168,
&end
#
# 84 ALA MB 81 THR HN 2.90 (# 17846.1 Unique )
&rst
ixpk= 17846, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1307,1308,1309,
&end
#
# 17 ALA MB 17 ALA HN 2.50 (# 17849.1 Unique )
&rst
ixpk= 17849, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 279, 280, 281,
&end
#
# 84 ALA MB 85 LYS HN 3.10 (# 17852.1 Unique )
&rst
ixpk= 17852, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1=1307,1308,1309,
&end
#
# 10 ALA MB 11 GLN HN 3.40 (# 17855.1 Unique )
&rst
ixpk= 17855, nxpk= 0, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 166, 167, 168,
&end
#
# 84 ALA MB 84 ALA HN 2.60 (# 17858.1 Unique )
&rst
ixpk= 17858, nxpk= 0, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1=1307,1308,1309,
&end
#
# 10 ALA MB 10 ALA HN 2.50 (# 17861.1 Unique )
&rst
ixpk= 17861, nxpk= 0, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 166, 167, 168,
&end
#
# 10 ALA MB 6 PHE HD 3.80 (# 17864.1 Unique )
&rst
ixpk= 17864, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 166, 167, 168,
igr2= 97, 105,
&end
#
# 84 ALA MB 80 TYR HD 3.10 (# 17870.1 Unique )
&rst
ixpk= 17870, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1307,1308,1309,
igr2=1238,1247,
&end
#
# 84 ALA MB 30 GLY QA 2.90 (# 17873.1 Unique )
&rst
ixpk= 17873, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1307,1308,1309,
igr2= 477, 478,
&end
#
# 10 ALA MB 104 GLY QA 3.40 (# 17877.1 Unique )
&rst
ixpk= 17877, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 166, 167, 168,
igr2=1630,1631,
&end
#
# 17 ALA MB 0 AMB m:17881 2.30 (# 17881.1 Single Ambig [HA 17 HA 14] )
&rst
ixpk= 17881, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr1= 279, 280, 281,
igr2= 277, 229,
&end
#
# 29 ILE MG2 29 ILE HA 3.00 (# 17889.1 Unique )
&rst
ixpk= 17889, nxpk= 0, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 462, 463, 464,
&end
#
# 17 ALA MB 34 ILE HA 2.50 (# 17892.1 Unique )
&rst
ixpk= 17892, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 279, 280, 281,
&end
#
# 45 ILE MG2 45 ILE HA 2.90 (# 17895.1 Unique )
&rst
ixpk= 17895, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 701, 702, 703,
&end
#
# 10 ALA MB 6 PHE QB 2.80 (# 17898.1 Unique )
&rst
ixpk= 17898, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 166, 167, 168,
igr2= 93, 94,
&end
#
# 29 ILE MG2 33 HIS QB 3.10 (# 17902.1 Unique )
&rst
ixpk= 17902, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 462, 463, 464,
igr2= 515, 516,
&end
#
# 45 ILE MG2 141 LEU QB 3.30 (# 17906.1 Unique )
&rst
ixpk= 17906, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 701, 702, 703,
igr2=2206,2207,
&end
#
# 45 ILE MG2 45 ILE HB 2.40 (# 17910.1 Unique )
&rst
ixpk= 17910, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr1= 701, 702, 703,
&end
#
# 0 AMB m:17913a 0 AMB m:17913b 4.00 (# 17913.1 Double Ambig [MB 84 MB 10] [MG2 81 MG2 7] )
&rst
ixpk= 17913, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1307,1308,1309, 166, 167, 168,
igr2=1257,1258,1259, 115, 116, 117,
&end
#
# 45 ILE MG2 45 ILE QG1 3.00 (# 17917.1 Unique )
&rst
ixpk= 17917, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 701, 702, 703,
igr2= 705, 706,
&end
#
# 29 ILE MG2 17 ALA MB 3.10 (# 17921.1 Unique )
&rst
ixpk= 17921, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 462, 463, 464,
igr2= 279, 280, 281,
&end
#
# 29 ILE MG2 29 ILE HB 2.60 (# 17924.1 Unique )
&rst
ixpk= 17924, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 462, 463, 464,
&end
#
# 29 ILE MG2 29 ILE QG1 3.10 (# 17927.1 Unique )
&rst
ixpk= 17927, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 462, 463, 464,
igr2= 466, 467,
&end
#
# 15 ALA MB 16 LEU HN 2.80 (# 17934.1 Unique )
&rst
ixpk= 17934, nxpk= 0, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 250, 251, 252,
&end
#
# 49 ALA MB 49 ALA HN 2.40 (# 17937.1 Unique )
&rst
ixpk= 17937, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr1= 760, 761, 762,
&end
#
# 134 ALA MB 135 ARG HN 3.00 (# 17940.1 Unique )
&rst
ixpk= 17940, nxpk= 0, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2086,2087,2088,
&end
#
# 52 ALA MB 52 ALA HN 2.40 (# 17943.1 Unique )
&rst
ixpk= 17943, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr1= 806, 807, 808,
&end
#
# 134 ALA MB 134 ALA HN 2.50 (# 17946.1 Unique )
&rst
ixpk= 17946, nxpk= 0, iat= -1,2082, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=2086,2087,2088,
&end
#
# 15 ALA MB 15 ALA HN 2.40 (# 17949.1 Unique )
&rst
ixpk= 17949, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr1= 250, 251, 252,
&end
#
# 121 ALA MB 122 ARG HN 2.90 (# 17952.1 Unique )
&rst
ixpk= 17952, nxpk= 0, iat= -1,1887, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1881,1882,1883,
&end
#
# 47 ALA MB 48 LYS HN 3.50 (# 17955.1 Unique; orig = 2.80 )
&rst
ixpk= 17955, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 728, 729, 730,
&end
#
# 68 ILE MG2 68 ILE HN 3.30 (# 17961.1 Unique )
&rst
ixpk= 17961, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1052,1053,1054,
&end
#
# 92 MET ME 6 PHE HD 4.10 (# 17964.1 Unique )
&rst
ixpk= 17964, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1448,1449,1450,
igr2= 97, 105,
&end
#
# 47 ALA MB 47 ALA HN 2.40 (# 17967.1 Unique )
&rst
ixpk= 17967, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr1= 728, 729, 730,
&end
#
# 121 ALA MB 116 GLY HN 3.40 (# 17974.1 Unique )
&rst
ixpk= 17974, nxpk= 0, iat= -1,1822, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1881,1882,1883,
&end
#
# 78 ILE MG2 78 ILE HA 3.40 (# 17980.1 Unique )
&rst
ixpk= 17980, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1200,1201,1202,
&end
#
# 92 MET ME 89 GLU HA 3.50 (# 17983.1 Unique; orig = 2.80 )
&rst
ixpk= 17983, nxpk= 0, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1448,1449,1450,
&end
#
# 15 ALA MB 0 AMB m:17986 2.20 (# 17986.1 Single Ambig [HA 15 HA 12] )
&rst
ixpk= 17986, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 250, 251, 252,
igr2= 248, 191,
&end
#
# 52 ALA MB 52 ALA HA 2.30 (# 17990.1 Unique )
&rst
ixpk= 17990, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1= 806, 807, 808,
&end
#
# 108 ILE MG2 108 ILE HA 2.80 (# 17993.1 Unique )
&rst
ixpk= 17993, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1687,1688,1689,
&end
#
# 121 ALA MB 121 ALA HA 2.40 (# 17996.1 Unique )
&rst
ixpk= 17996, nxpk= 0, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr1=1881,1882,1883,
&end
#
# 47 ALA MB 47 ALA HA 2.20 (# 17999.1 Unique )
&rst
ixpk= 17999, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 728, 729, 730,
&end
#
# 134 ALA MB 131 LEU HA 3.30 (# 18002.1 Unique )
&rst
ixpk= 18002, nxpk= 0, iat= -1,2029, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2086,2087,2088,
&end
#
# 49 ALA MB 49 ALA HA 2.30 (# 18005.1 Unique )
&rst
ixpk= 18005, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1= 760, 761, 762,
&end
#
# 121 ALA MB 0 AMB m:18011 2.80 (# 18011.1 Single Ambig [QA 116 HA 113] )
&rst
ixpk= 18011, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1881,1882,1883,
igr2=1824,1825,1766,
&end
#
# 88 ILE MG2 88 ILE HA 2.90 (# 18016.1 Unique )
&rst
ixpk= 18016, nxpk= 0, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1379,1380,1381,
&end
#
# 113 ILE MG2 113 ILE HA 2.60 (# 18022.1 Unique )
&rst
ixpk= 18022, nxpk= 0, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1=1770,1771,1772,
&end
#
# 60 ILE MG2 60 ILE HA 2.80 (# 18025.1 Unique )
&rst
ixpk= 18025, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 918, 919, 920,
&end
#
# 49 ALA MB 137 GLN QB 2.70 (# 18028.1 Unique )
&rst
ixpk= 18028, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 760, 761, 762,
igr2=2137,2138,
&end
#
# 88 ILE MG2 88 ILE HB 2.40 (# 18035.1 Unique )
&rst
ixpk= 18035, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr1=1379,1380,1381,
&end
#
# 34 ILE MG2 34 ILE HB 2.40 (# 18038.1 Unique )
&rst
ixpk= 18038, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr1= 534, 535, 536,
&end
#
# 108 ILE MG2 108 ILE HB 2.50 (# 18041.1 Unique )
&rst
ixpk= 18041, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1687,1688,1689,
&end
#
# 68 ILE MG2 0 AMB m:18044 2.80 (# 18044.1 Single Ambig [QG 32 QB 32] )
&rst
ixpk= 18044, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1052,1053,1054,
igr2= 503, 504, 500, 501,
&end
#
# 113 ILE MG2 0 AMB m:18053 2.50 (# 18053.1 Single Ambig [HB 113 QG1 113] )
&rst
ixpk= 18053, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=1770,1771,1772,
igr2=1768,1774,1775,
&end
#
# 78 ILE MG2 78 ILE HB 2.20 (# 18057.1 Unique )
&rst
ixpk= 18057, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1=1200,1201,1202,
&end
#
# 68 ILE MG2 68 ILE QG1 3.10 (# 18067.1 Unique )
&rst
ixpk= 18067, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1052,1053,1054,
igr2=1056,1057,
&end
#
# 88 ILE MG2 88 ILE QG1 3.30 (# 18071.1 Unique )
&rst
ixpk= 18071, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=1379,1380,1381,
igr2=1383,1384,
&end
#
# 113 ILE MG2 131 LEU QB 6.00 (# 18075.1 Unique; orig = 4.20 )
&rst
ixpk= 18075, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1770,1771,1772,
igr2=2031,2032,
&end
#
# 60 ILE MG2 35 LEU HG 3.00 (# 18079.1 Unique )
&rst
ixpk= 18079, nxpk= 0, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 918, 919, 920,
&end
#
# 92 MET ME 88 ILE MG2 2.80 (# 18082.1 Unique )
&rst
ixpk= 18082, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1448,1449,1450,
igr2=1379,1380,1381,
&end
#
# 52 ALA MB 141 LEU MD2 3.30 (# 18085.1 Unique )
&rst
ixpk= 18085, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 806, 807, 808,
igr2=2215,2216,2217,
&end
#
# 134 ALA MB 129 VAL MG1 2.20 (# 18089.1 Unique )
&rst
ixpk= 18089, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1=2086,2087,2088,
igr2=2006,2007,2008,
&end
#
# 37 GLY QA 37 GLY HN 3.00 (# 18102.1 Unique )
&rst
ixpk= 18102, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 587, 588,
&end
#
# 21 ALA MB 0 AMB m:18106 2.20 (# 18106.1 Single Ambig [HN 21 HN 22] )
&rst
ixpk= 18106, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 336, 337, 338,
igr2= 332, 342,
&end
#
# 95 ALA MB 103 VAL HA 3.10 (# 18114.1 Unique )
&rst
ixpk= 18114, nxpk= 0, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1=1485,1486,1487,
&end
#
# 95 ALA MB 92 MET HA 2.90 (# 18117.1 Unique )
&rst
ixpk= 18117, nxpk= 0, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1485,1486,1487,
&end
#
# 21 ALA MB 29 ILE HA 3.10 (# 18120.1 Unique )
&rst
ixpk= 18120, nxpk= 0, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 336, 337, 338,
&end
#
# 21 ALA MB 21 ALA HA 2.50 (# 18126.1 Unique )
&rst
ixpk= 18126, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 336, 337, 338,
&end
#
# 113 ILE MD 113 ILE QG1 2.20 (# 18168.1 Unique )
&rst
ixpk= 18168, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1=1777,1778,1779,
igr2=1774,1775,
&end
#
# 29 ILE MD 18 GLN HA 3.10 (# 18172.1 Unique )
&rst
ixpk= 18172, nxpk= 0, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 469, 470, 471,
&end
#
# 29 ILE MD 29 ILE HB 3.10 (# 18190.1 Unique )
&rst
ixpk= 18190, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 469, 470, 471,
&end
#
# 67 LEU QB 0 AMB m:18197 3.00 (# 18197.1 Single Ambig [MD2 67 MD1 67] )
&rst
ixpk= 18197, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1031,1032,
igr2=1040,1041,1042,1036,1037,1038,
&end
#
# 29 ILE MD 78 ILE MG2 2.90 (# 18205.1 Unique )
&rst
ixpk= 18205, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 469, 470, 471,
igr2=1200,1201,1202,
&end
#
# 34 ILE MD 34 ILE HB 2.80 (# 18208.1 Unique )
&rst
ixpk= 18208, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 541, 542, 543,
&end
#
# 135 ARG QB 135 ARG QB 2.60 (# 18211.1 Unique )
#This appears to be self-referential: ignoring
#
# 135 ARG QB 135 ARG QB 3.10 (# 18217.1 Unique )
#This appears to be self-referential: ignoring
#
# 70 ARG QB 70 ARG QB 2.50 (# 18223.1 Unique )
#This appears to be self-referential: ignoring
#
# 122 ARG QB 122 ARG QB 2.90 (# 18229.1 Unique )
#This appears to be self-referential: ignoring
#
# 122 ARG QB 122 ARG QB 2.60 (# 18234.1 Unique )
#This appears to be self-referential: ignoring
#
# 5 ARG QB 5 ARG QB 3.10 (# 18239.1 Unique )
#This appears to be self-referential: ignoring
#
# 40 ARG QB 40 ARG QB 3.10 (# 18245.1 Unique )
#This appears to be self-referential: ignoring
#
# 60 ILE MD 60 ILE HB 2.60 (# 18260.1 Unique )
&rst
ixpk= 18260, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 925, 926, 927,
&end
#
# 60 ILE MD 60 ILE QG1 2.20 (# 18263.1 Unique )
&rst
ixpk= 18263, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 925, 926, 927,
igr2= 922, 923,
&end
#
# 96 ARG QB 96 ARG QB 3.10 (# 18267.1 Unique )
#This appears to be self-referential: ignoring
#
# 108 ILE MD 108 ILE QG1 2.20 (# 18273.1 Unique )
&rst
ixpk= 18273, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1=1694,1695,1696,
igr2=1691,1692,
&end
#
# 78 ILE MD 78 ILE QG1 2.30 (# 18281.1 Unique )
&rst
ixpk= 18281, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr1=1207,1208,1209,
igr2=1204,1205,
&end
#
# 38 LEU QB 0 AMB m:18285 3.00 (# 18285.1 Single Ambig [MD1 38 MD2 38] )
&rst
ixpk= 18285, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 596, 597,
igr2= 601, 602, 603, 605, 606, 607,
&end
#
# 93 ASP QB 93 ASP HN 3.10 (# 18290.1 Unique )
&rst
ixpk= 18290, nxpk= 0, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1458,1459,
&end
#
# 86 LYS QB 86 LYS QB 2.80 (# 18294.1 Unique )
#This appears to be self-referential: ignoring
#
# 48 LYS QB 48 LYS QB 2.60 (# 18300.1 Unique )
#This appears to be self-referential: ignoring
#
# 48 LYS QB 48 LYS QB 3.00 (# 18308.1 Unique )
#This appears to be self-referential: ignoring
#
# 59 LYS QB 59 LYS QB 2.80 (# 18314.1 Unique )
#This appears to be self-referential: ignoring
#
# 142 LEU QB 0 AMB m:18319 3.10 (# 18319.1 Single Ambig [MD2 142 MD1 142] )
&rst
ixpk= 18319, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=2225,2226,
igr2=2234,2235,2236,2230,2231,2232,
&end
#
# 16 LEU QB 0 AMB m:18329 3.00 (# 18329.1 Single Ambig [MD1 16 MD2 16] )
&rst
ixpk= 18329, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 260, 261,
igr2= 265, 266, 267, 269, 270, 271,
&end
#
# 97 LYS QB 97 LYS QB 2.60 (# 18337.1 Unique )
#This appears to be self-referential: ignoring
#
# 127 LEU QB 127 LEU HG 3.00 (# 18344.1 Unique )
&rst
ixpk= 18344, nxpk= 0, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1978,1979,
&end
#
# 22 LEU QB 22 LEU HG 2.90 (# 18348.1 Unique )
&rst
ixpk= 18348, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 346, 347,
&end
#
# 45 ILE MD 45 ILE HA 2.60 (# 18368.1 Unique )
&rst
ixpk= 18368, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 708, 709, 710,
&end
#
# 45 ILE MD 45 ILE HB 4.00 (# 18371.1 Unique )
&rst
ixpk= 18371, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 708, 709, 710,
&end
#
# 124 LEU QB 0 AMB m:18378 3.10 (# 18378.1 Single Ambig [MD1 124 MD2 124] )
&rst
ixpk= 18378, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1931,1932,
igr2=1936,1937,1938,1940,1941,1942,
&end
#
# 125 ASN QB 125 ASN HN 2.80 (# 18387.1 Unique )
&rst
ixpk= 18387, nxpk= 0, iat= -1,1946, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1950,1951,
&end
#
# 125 ASN QB 125 ASN HA 3.10 (# 18391.1 Unique )
&rst
ixpk= 18391, nxpk= 0, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1950,1951,
&end
#
# 65 GLU QG 65 GLU HN 4.50 (# 18406.1 Unique; orig = 3.10 )
&rst
ixpk= 18406, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1008,1009,
&end
#
# 65 GLU QG 65 GLU QB 2.60 (# 18413.1 Unique )
&rst
ixpk= 18413, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1=1008,1009,
igr2=1005,1006,
&end
#
# 60 ILE HB 0 AMB m:18419 2.60 (# 18419.1 Single Ambig [MG2 60 MD 60] )
&rst
ixpk= 18419, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 918, 919, 920, 925, 926, 927,
&end
#
# 138 VAL HA 0 AMB m:18423 3.10 (# 18423.1 Single Ambig [HN 138 HN 139] )
&rst
ixpk= 18423, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=2150,2166,
&end
#
# 13 VAL HA 13 VAL HN 3.00 (# 18431.1 Unique )
&rst
ixpk= 18431, nxpk= 0, iat= 213, 211, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 87 VAL HA 0 AMB m:18434 3.10 (# 18434.1 Single Ambig [HN 87 HN 115] )
&rst
ixpk= 18434, nxpk= 0, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1357,1807,
&end
#
# 19 GLU QG 19 GLU HN 4.50 (# 18441.1 Unique; orig = 3.10 )
&rst
ixpk= 18441, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 309, 310,
&end
#
# 31 THR HA 31 THR HB 2.50 (# 18445.1 Unique )
&rst
ixpk= 18445, nxpk= 0, iat= 484, 486, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB m:18448a 0 AMB m:18448b 2.40 (# 18448.1 Double Ambig [HB 105 HB 31] [HA 105 HA 31] )
&rst
ixpk= 18448, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1=1639, 486,
igr2=1637, 484,
&end
#
# 19 GLU QG 19 GLU HA 3.40 (# 18452.1 Unique )
&rst
ixpk= 18452, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 309, 310,
&end
#
# 13 VAL HA 13 VAL HB 2.80 (# 18456.1 Unique )
&rst
ixpk= 18456, nxpk= 0, iat= 213, 215, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 138 VAL HA 138 VAL HB 3.10 (# 18459.1 Unique )
&rst
ixpk= 18459, nxpk= 0, iat=2152,2154, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 87 VAL HA 90 LEU QB 3.00 (# 18462.1 Unique )
&rst
ixpk= 18462, nxpk= 0, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1411,1412,
&end
#
# 58 GLU QG 58 GLU QB 2.70 (# 18466.1 Unique )
&rst
ixpk= 18466, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 882, 883,
igr2= 879, 880,
&end
#
# 105 THR HA 105 THR MG2 2.80 (# 18475.1 Unique )
&rst
ixpk= 18475, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1641,1642,1643,
&end
#
# 87 VAL HA 0 AMB m:18478 2.20 (# 18478.1 Single Ambig [QB 90 MG2 87] )
&rst
ixpk= 18478, nxpk= 0, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2=1411,1412,1367,1368,1369,
&end
#
# 31 THR HA 34 ILE MD 2.80 (# 18486.1 Unique )
&rst
ixpk= 18486, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 541, 542, 543,
&end
#
# 123 VAL HA 123 VAL HN 3.00 (# 18489.1 Unique )
&rst
ixpk= 18489, nxpk= 0, iat=1913,1911, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 73 GLU QG 73 GLU HA 3.60 (# 18496.1 Unique )
&rst
ixpk= 18496, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1127,1128,
&end
#
# 82 PRO HA 82 PRO QB 3.10 (# 18500.1 Unique )
&rst
ixpk= 18500, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1272,1273,
&end
#
# 82 PRO HA 85 LYS QB 3.30 (# 18504.1 Unique )
&rst
ixpk= 18504, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1317,1318,
&end
#
# 73 GLU QG 73 GLU QB 2.50 (# 18514.1 Unique )
&rst
ixpk= 18514, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1127,1128,
igr2=1124,1125,
&end
#
# 63 GLU QG 63 GLU QB 2.50 (# 18520.1 Unique )
&rst
ixpk= 18520, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 977, 978,
igr2= 974, 975,
&end
#
# 119 VAL HA 0 AMB m:18526 2.90 (# 18526.1 Single Ambig [QB 122 HB 119] )
&rst
ixpk= 18526, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1891,1892,1855,
&end
#
# 11 GLN QB 11 GLN HN 4.30 (# 18537.1 Unique )
&rst
ixpk= 18537, nxpk= 0, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 176, 177,
&end
#
# 11 GLN QB 11 GLN QB 3.00 (# 18541.1 Unique )
#This appears to be self-referential: ignoring
#
# 60 ILE HA 0 AMB m:18552 2.80 (# 18552.1 Single Ambig [MG2 60 MD 60] )
&rst
ixpk= 18552, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 918, 919, 920, 925, 926, 927,
&end
#
# 140 GLN QB 140 GLN HN 3.50 (# 18556.1 Unique )
&rst
ixpk= 18556, nxpk= 0, iat= -1,2185, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2189,2190,
&end
#
# 136 GLN QB 136 GLN HN 4.00 (# 18560.1 Unique )
&rst
ixpk= 18560, nxpk= 0, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2120,2121,
&end
#
# 39 VAL HA 39 VAL HN 3.10 (# 18569.1 Unique )
&rst
ixpk= 18569, nxpk= 0, iat= 613, 611, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 72 GLN QB 71 GLY QA 6.00 (# 18572.1 Unique; orig = 4.30 )
&rst
ixpk= 18572, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1107,1108,
igr2=1098,1099,
&end
#
# 39 VAL HA 39 VAL HB 3.00 (# 18581.1 Unique )
&rst
ixpk= 18581, nxpk= 0, iat= 613, 615, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 72 GLN QB 72 GLN QB 2.20 (# 18584.1 Unique )
#This appears to be self-referential: ignoring
#
# 61 GLN QB 61 GLN QB 2.60 (# 18590.1 Unique )
#This appears to be self-referential: ignoring
#
# 66 SER QB 66 SER HN 2.90 (# 18595.1 Unique )
&rst
ixpk= 18595, nxpk= 0, iat= -1,1016, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=1020,1021,
&end
#
# 59 LYS QB 0 AMB m:18599 2.80 (# 18599.1 Single Ambig [HN 59 HN 60] )
&rst
ixpk= 18599, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 894, 895,
igr2= 890, 912,
&end
#
# 92 MET QB 92 MET QB 2.90 (# 18608.1 Unique )
#This appears to be self-referential: ignoring
#
# 92 MET QB 0 AMB m:18614 3.10 (# 18614.1 Single Ambig [QB 92 ME 92] )
#This appears to be self-referential: ignoring
#
# 117 GLU QB 117 GLU QG 2.70 (# 18621.1 Unique )
&rst
ixpk= 18621, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1=1833,1834,
igr2=1836,1837,
&end
#
# 45 ILE HA 0 AMB m:18627 3.00 (# 18627.1 Single Ambig [HB 45 QB 48] )
&rst
ixpk= 18627, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 699, 738, 739,
&end
#
# 97 LYS QB 97 LYS QB 3.00 (# 18631.1 Unique )
#This appears to be self-referential: ignoring
#
# 45 ILE HA 45 ILE QG1 3.40 (# 18639.1 Unique )
&rst
ixpk= 18639, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 705, 706,
&end
#
# 32 GLU QG 32 GLU QB 2.80 (# 18643.1 Unique )
&rst
ixpk= 18643, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 503, 504,
igr2= 500, 501,
&end
#
# 48 LYS QB 48 LYS QB 3.10 (# 18648.1 Unique )
#This appears to be self-referential: ignoring
#
# 59 LYS QB 59 LYS QB 2.80 (# 18653.1 Unique )
#This appears to be self-referential: ignoring
#
# 57 SER HA 57 SER HN 3.50 (# 18658.1 Unique; orig = 2.80 )
&rst
ixpk= 18658, nxpk= 0, iat= 866, 864, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 VAL HB 39 VAL HN 4.50 (# 18673.1 Unique; orig = 3.10 )
&rst
ixpk= 18673, nxpk= 0, iat= 615, 611, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 129 VAL HA 130 SER HN 2.50 (# 18676.1 Unique )
&rst
ixpk= 18676, nxpk= 0, iat=2002,2016, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 91 SER HA 91 SER QB 2.80 (# 18679.1 Unique )
&rst
ixpk= 18679, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1430,1431,
&end
#
# 62 LYS QB 62 LYS HA 3.10 (# 18683.1 Unique )
&rst
ixpk= 18683, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 952, 953,
&end
#
# 103 VAL HA 104 GLY HN 2.60 (# 18693.1 Unique )
&rst
ixpk= 18693, nxpk= 0, iat=1614,1628, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 138 VAL HB 0 AMB m:18714 2.60 (# 18714.1 Single Ambig [HN 139 HN 138] )
&rst
ixpk= 18714, nxpk= 0, iat=2154, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2=2166,2150,
&end
#
# 7 THR HA 7 THR HB 2.80 (# 18727.1 Unique )
&rst
ixpk= 18727, nxpk= 0, iat= 111, 113, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB m:18730a 0 AMB m:18730b 3.00 (# 18730.1 Double Ambig [QB 107 QB 33] [HA 107 HA 33] )
&rst
ixpk= 18730, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1668,1669, 515, 516,
igr2=1666, 513,
&end
#
# 86 LYS QB 0 AMB m:18735 3.30 (# 18735.1 Single Ambig [HA 86 HA 83] )
&rst
ixpk= 18735, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1339,1340,
igr2=1337,1281,
&end
#
# 86 LYS QB 86 LYS HA 3.10 (# 18740.1 Unique )
&rst
ixpk= 18740, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1339,1340,
&end
#
# 66 SER HA 66 SER QB 2.50 (# 18744.1 Unique )
&rst
ixpk= 18744, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2=1020,1021,
&end
#
# 68 ILE HA 68 ILE HB 2.80 (# 18751.1 Unique )
&rst
ixpk= 18751, nxpk= 0, iat=1048,1050, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 7 THR HA 7 THR MG2 2.80 (# 18754.1 Unique )
&rst
ixpk= 18754, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 115, 116, 117,
&end
#
# 86 LYS QB 86 LYS QB 3.40 (# 18757.1 Unique )
#This appears to be self-referential: ignoring
#
# 129 VAL HB 124 LEU QB 3.10 (# 18763.1 Unique )
&rst
ixpk= 18763, nxpk= 0, iat=2004, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1931,1932,
&end
#
# 61 GLN HA 61 GLN HN 2.90 (# 18776.1 Unique )
&rst
ixpk= 18776, nxpk= 0, iat= 933, 931, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 89 GLU HA 89 GLU HN 3.10 (# 18786.1 Unique )
&rst
ixpk= 18786, nxpk= 0, iat=1394,1392, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 13 VAL HB 13 VAL HN 3.60 (# 18789.1 Unique )
&rst
ixpk= 18789, nxpk= 0, iat= 215, 211, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 66 SER HA 66 SER HN 3.10 (# 18800.1 Unique )
&rst
ixpk= 18800, nxpk= 0, iat=1018,1016, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 89 GLU QB 86 LYS HA 3.30 (# 18807.1 Unique )
&rst
ixpk= 18807, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1396,1397,
&end
#
# 40 ARG QB 40 ARG HA 3.10 (# 18811.1 Unique )
&rst
ixpk= 18811, nxpk= 0, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 631, 632,
&end
#
# 33 HIS HA 33 HIS QB 2.80 (# 18815.1 Unique )
&rst
ixpk= 18815, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 515, 516,
&end
#
# 107 HIS HA 107 HIS QB 3.00 (# 18819.1 Unique )
&rst
ixpk= 18819, nxpk= 0, iat=1666, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1668,1669,
&end
#
# 122 ARG QB 122 ARG HA 3.00 (# 18827.1 Unique )
&rst
ixpk= 18827, nxpk= 0, iat= -1,1889, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1891,1892,
&end
#
# 8 GLU HA 0 AMB m:18853 2.50 (# 18853.1 Single Ambig [QB 11 QB 8] )
&rst
ixpk= 18853, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2= 176, 177, 127, 128,
&end
#
# 89 GLU HA 0 AMB m:18858 2.80 (# 18858.1 Single Ambig [QB 89 QB 92] )
&rst
ixpk= 18858, nxpk= 0, iat=1394, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1396,1397,1441,1442,
&end
#
# 89 GLU HA 89 GLU QB 2.70 (# 18863.1 Unique )
&rst
ixpk= 18863, nxpk= 0, iat=1394, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2=1396,1397,
&end
#
# 85 LYS HA 85 LYS QB 3.00 (# 18867.1 Unique )
&rst
ixpk= 18867, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1317,1318,
&end
#
# 65 GLU HA 65 GLU QG 3.50 (# 18871.1 Unique; orig = 2.80 )
&rst
ixpk= 18871, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1008,1009,
&end
#
# 65 GLU HA 65 GLU QB 2.70 (# 18875.1 Unique )
&rst
ixpk= 18875, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2=1005,1006,
&end
#
# 61 GLN HA 61 GLN QB 3.50 (# 18879.1 Unique )
&rst
ixpk= 18879, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 935, 936,
&end
#
# 135 ARG HA 135 ARG QB 2.80 (# 18889.1 Unique )
&rst
ixpk= 18889, nxpk= 0, iat=2094, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2096,2097,
&end
#
# 107 HIS HA 110 LEU MD1 3.10 (# 18899.1 Unique )
&rst
ixpk= 18899, nxpk= 0, iat=1666, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1728,1729,1730,
&end
#
# 135 ARG HA 0 AMB m:18902 4.50 (# 18902.1 Single Ambig [MG2 138 MD2 139]; orig = 3.30 )
&rst
ixpk= 18902, nxpk= 0, iat=2094, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2160,2161,2162,2179,2180,2181,
&end
#
# 115 GLU HA 90 LEU MD1 3.80 (# 18913.1 Unique )
&rst
ixpk= 18913, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1416,1417,1418,
&end
#
# 40 ARG QB 16 LEU MD1 3.60 (# 18919.1 Unique )
&rst
ixpk= 18919, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 631, 632,
igr2= 265, 266, 267,
&end
#
# 58 GLU HA 58 GLU HN 3.10 (# 18923.1 Unique )
&rst
ixpk= 18923, nxpk= 0, iat= 877, 875, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 58 GLU QB 58 GLU HN 3.10 (# 18926.1 Unique )
&rst
ixpk= 18926, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 879, 880,
&end
#
# 0 AMB m:18930a 0 AMB m:18930b 3.10 (# 18930.1 Double Ambig [HA 23 HA 96] [HN 23 HN 97] )
&rst
ixpk= 18930, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 363,1493,
igr2= 361,1515,
&end
#
# 11 GLN HA 11 GLN HN 3.10 (# 18934.1 Unique )
&rst
ixpk= 18934, nxpk= 0, iat= 174, 172, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 97 LYS HA 97 LYS HN 3.30 (# 18937.1 Unique )
&rst
ixpk= 18937, nxpk= 0, iat=1517,1515, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 0 AMB m:18940a 0 AMB m:18940b 2.60 (# 18940.1 Double Ambig [QB 65 QB 63] [HN 65 HN 64] )
&rst
ixpk= 18940, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1=1005,1006, 974, 975,
igr2=1001, 985,
&end
#
# 62 LYS HA 62 LYS HN 3.10 (# 18945.1 Unique )
&rst
ixpk= 18945, nxpk= 0, iat= 950, 948, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 19 GLU HA 19 GLU HN 3.50 (# 18948.1 Unique; orig = 2.80 )
&rst
ixpk= 18948, nxpk= 0, iat= 304, 302, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 ARG HA 122 ARG HN 3.30 (# 18951.1 Unique )
&rst
ixpk= 18951, nxpk= 0, iat=1889,1887, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 19 GLU QB 19 GLU HN 2.80 (# 18954.1 Unique )
&rst
ixpk= 18954, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 306, 307,
&end
#
# 0 AMB m:18958a 0 AMB m:18958b 2.70 (# 18958.1 Double Ambig [QB 63 QB 65] [HN 63 HN 66] )
&rst
ixpk= 18958, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 974, 975,1005,1006,
igr2= 970,1016,
&end
#
# 19 GLU QB 16 LEU HA 3.00 (# 18967.1 Unique )
&rst
ixpk= 18967, nxpk= 0, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 306, 307,
&end
#
# 8 GLU QB 8 GLU HA 2.80 (# 18971.1 Unique )
&rst
ixpk= 18971, nxpk= 0, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 127, 128,
&end
#
# 133 LYS QB 133 LYS QB 2.80 (# 18979.1 Unique )
#This appears to be self-referential: ignoring
#
# 85 LYS QB 85 LYS QB 3.00 (# 18985.1 Unique )
#This appears to be self-referential: ignoring
#
# 62 LYS QB 62 LYS QB 2.80 (# 18991.1 Unique )
#This appears to be self-referential: ignoring
#
# 97 LYS QB 97 LYS QB 2.80 (# 18997.1 Unique )
#This appears to be self-referential: ignoring
#
# 19 GLU QB 19 GLU QG 2.60 (# 19015.1 Unique )
&rst
ixpk= 19015, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 306, 307,
igr2= 309, 310,
&end
#
# 8 GLU QB 8 GLU QG 2.60 (# 19021.1 Unique )
&rst
ixpk= 19021, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1= 127, 128,
igr2= 130, 131,
&end
#
# 58 GLU HA 58 GLU QB 2.50 (# 19037.1 Unique )
&rst
ixpk= 19037, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 879, 880,
&end
#
# 62 LYS HA 65 GLU QB 4.50 (# 19041.1 Unique; orig = 3.30 )
&rst
ixpk= 19041, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1005,1006,
&end
#
# 11 GLN HA 11 GLN QB 2.80 (# 19045.1 Unique )
&rst
ixpk= 19045, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 176, 177,
&end
#
# 11 GLN HA 11 GLN QB 2.50 (# 19049.1 Unique )
&rst
ixpk= 19049, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 176, 177,
&end
#
# 18 GLN HA 18 GLN QB 3.30 (# 19053.1 Unique )
&rst
ixpk= 19053, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 289, 290,
&end
#
# 18 GLN HA 18 GLN QB 2.60 (# 19057.1 Unique )
&rst
ixpk= 19057, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 289, 290,
&end
#
# 58 GLU QB 58 GLU QG 2.80 (# 19061.1 Unique )
&rst
ixpk= 19061, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 879, 880,
igr2= 882, 883,
&end
#
# 85 LYS QB 85 LYS QB 3.10 (# 19067.1 Unique )
#This appears to be self-referential: ignoring
#
# 122 ARG HA 122 ARG QB 3.10 (# 19073.1 Unique )
&rst
ixpk= 19073, nxpk= 0, iat=1889, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1891,1892,
&end
#
# 97 LYS HA 97 LYS QB 3.10 (# 19077.1 Unique )
&rst
ixpk= 19077, nxpk= 0, iat=1517, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1519,1520,
&end
#
# 62 LYS QB 62 LYS QB 2.20 (# 19086.1 Unique )
#This appears to be self-referential: ignoring
#
# 60 ILE QG1 60 ILE HB 3.00 (# 19092.1 Unique )
&rst
ixpk= 19092, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 922, 923,
&end
#
# 113 ILE QG1 114 ARG QB 4.90 (# 19101.1 Unique )
&rst
ixpk= 19101, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1774,1775,
igr2=1787,1788,
&end
#
# 97 LYS HA 97 LYS QB 3.10 (# 19110.1 Unique )
&rst
ixpk= 19110, nxpk= 0, iat=1517, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1519,1520,
&end
#
# 19 GLU HA 22 LEU MD1 3.10 (# 19120.1 Unique )
&rst
ixpk= 19120, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 351, 352, 353,
&end
#
# 41 GLU HA 16 LEU MD1 4.30 (# 19123.1 Unique )
&rst
ixpk= 19123, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 265, 266, 267,
&end
#
# 60 ILE QG1 0 AMB m:19132 2.50 (# 19132.1 Single Ambig [MD 60 MG2 60] )
&rst
ixpk= 19132, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 922, 923,
igr2= 925, 926, 927, 918, 919, 920,
&end
#
# 94 GLU HA 94 GLU HN 3.10 (# 19137.1 Unique )
&rst
ixpk= 19137, nxpk= 0, iat=1468,1466, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 140 GLN HA 140 GLN HN 2.90 (# 19144.1 Unique )
&rst
ixpk= 19144, nxpk= 0, iat=2187,2185, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 51 GLN HA 0 AMB m:19147 2.60 (# 19147.1 Single Ambig [HN 55 HN 51] )
&rst
ixpk= 19147, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 838, 785,
&end
#
# 136 GLN HA 0 AMB m:19151 2.80 (# 19151.1 Single Ambig [HN 136 HN 137] )
&rst
ixpk= 19151, nxpk= 0, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2116,2133,
&end
#
# 140 GLN QB 140 GLN HN 2.50 (# 19155.1 Unique )
&rst
ixpk= 19155, nxpk= 0, iat= -1,2185, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr1=2189,2190,
&end
#
# 136 GLN QB 0 AMB m:19159 2.60 (# 19159.1 Single Ambig [HN 136 HN 137] )
&rst
ixpk= 19159, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1=2120,2121,
igr2=2116,2133,
&end
#
# 51 GLN QB 51 GLN HN 3.00 (# 19164.1 Unique )
&rst
ixpk= 19164, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 789, 790,
&end
#
# 63 GLU HA 0 AMB m:19168 3.00 (# 19168.1 Single Ambig [HN 63 HN 66] )
&rst
ixpk= 19168, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 970,1016,
&end
#
# 0 AMB m:19176a 0 AMB m:19176b 3.50 (# 19176.1 Double Ambig [HA 94 HA 92] [HN 95 HN 93 HN 96] )
&rst
ixpk= 19176, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1468,1439,
igr2=1481,1454,1491,
&end
#
# 11 GLN QB 8 GLU HA 3.50 (# 19186.1 Unique; orig = 2.50 )
&rst
ixpk= 19186, nxpk= 0, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 176, 177,
&end
#
# 144 SER HA 144 SER QB 2.80 (# 19190.1 Unique )
&rst
ixpk= 19190, nxpk= 0, iat=2249, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2251,2252,
&end
#
# 101 SER HA 101 SER QB 3.10 (# 19194.1 Unique )
&rst
ixpk= 19194, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1584,1585,
&end
#
# 140 GLN HA 140 GLN QB 3.80 (# 19198.1 Unique )
&rst
ixpk= 19198, nxpk= 0, iat=2187, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=2189,2190,
&end
#
# 51 GLN HA 51 GLN QB 3.30 (# 19202.1 Unique )
&rst
ixpk= 19202, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 789, 790,
&end
#
# 61 GLN QB 61 GLN QB 2.70 (# 19206.1 Unique )
#This appears to be self-referential: ignoring
#
# 83 ARG HA 83 ARG QB 3.00 (# 19214.1 Unique )
&rst
ixpk= 19214, nxpk= 0, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1283,1284,
&end
#
# 140 GLN HA 140 GLN QB 2.50 (# 19220.1 Unique )
&rst
ixpk= 19220, nxpk= 0, iat=2187, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2=2189,2190,
&end
#
# 63 GLU HA 63 GLU QB 2.50 (# 19224.1 Unique )
&rst
ixpk= 19224, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 974, 975,
&end
#
# 12 LYS HA 12 LYS QB 3.00 (# 19228.1 Unique )
&rst
ixpk= 19228, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 193, 194,
&end
#
# 136 GLN HA 136 GLN QB 2.60 (# 19232.1 Unique )
&rst
ixpk= 19232, nxpk= 0, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2=2120,2121,
&end
#
# 92 MET HA 92 MET QB 3.30 (# 19236.1 Unique )
&rst
ixpk= 19236, nxpk= 0, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1441,1442,
&end
#
# 59 LYS HA 59 LYS QB 2.50 (# 19240.1 Unique )
&rst
ixpk= 19240, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 894, 895,
&end
#
# 40 ARG HA 40 ARG QB 4.00 (# 19244.1 Unique )
&rst
ixpk= 19244, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 631, 632,
&end
#
# 124 LEU HA 124 LEU QB 3.10 (# 19248.1 Unique )
&rst
ixpk= 19248, nxpk= 0, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1931,1932,
&end
#
# 124 LEU HA 0 AMB m:19252 3.30 (# 19252.1 Single Ambig [HG 124 QB 127] )
&rst
ixpk= 19252, nxpk= 0, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1934,1978,1979,
&end
#
# 106 GLU HA 106 GLU QB 2.70 (# 19256.1 Unique )
&rst
ixpk= 19256, nxpk= 0, iat=1651, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2=1653,1654,
&end
#
# 135 ARG QB 135 ARG QB 2.90 (# 19264.1 Unique )
#This appears to be self-referential: ignoring
#
# 45 ILE QG1 45 ILE HB 2.80 (# 19270.1 Unique )
&rst
ixpk= 19270, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 705, 706,
&end
#
# 12 LYS HA 0 AMB m:19274 3.00 (# 19274.1 Single Ambig [MB 15 QB 12] )
&rst
ixpk= 19274, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 250, 251, 252, 193, 194,
&end
#
# 35 LEU HA 0 AMB m:19278 2.90 (# 19278.1 Single Ambig [QB 35 HG 35] )
&rst
ixpk= 19278, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 551, 552, 554,
&end
#
# 109 LEU HA 109 LEU QB 2.60 (# 19283.1 Unique )
&rst
ixpk= 19283, nxpk= 0, iat=1702, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2=1704,1705,
&end
#
# 32 GLU HA 120 ALA MB 3.00 (# 19287.1 Unique )
&rst
ixpk= 19287, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1871,1872,1873,
&end
#
# 131 LEU HA 0 AMB m:19290 3.30 (# 19290.1 Single Ambig [MD2 131 MD1 131] )
&rst
ixpk= 19290, nxpk= 0, iat=2029, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2=2040,2041,2042,2036,2037,2038,
&end
#
# 110 LEU HA 110 LEU MD2 2.20 (# 19294.1 Unique )
&rst
ixpk= 19294, nxpk= 0, iat=1721, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2=1732,1733,1734,
&end
#
# 80 TYR HA 0 AMB m:19300 2.80 (# 19300.1 Single Ambig [HN 81 HN 80] )
&rst
ixpk= 19300, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1251,1230,
&end
#
# 137 GLN HA 137 GLN HN 3.50 (# 19307.1 Unique; orig = 2.80 )
&rst
ixpk= 19307, nxpk= 0, iat=2135,2133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 93 ASP HA 0 AMB m:19310 3.10 (# 19310.1 Single Ambig [HN 93 HN 96] )
&rst
ixpk= 19310, nxpk= 0, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1454,1491,
&end
#
# 75 SER HA 75 SER QB 3.10 (# 19314.1 Unique )
&rst
ixpk= 19314, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1156,1157,
&end
#
# 38 LEU MD1 35 LEU HA 2.80 (# 19329.1 Unique )
&rst
ixpk= 19329, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 601, 602, 603,
&end
#
# 38 LEU MD1 109 LEU HA 3.30 (# 19332.1 Unique )
&rst
ixpk= 19332, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 601, 602, 603,
&end
#
# 93 ASP HA 93 ASP QB 3.30 (# 19352.1 Unique )
&rst
ixpk= 19352, nxpk= 0, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1458,1459,
&end
#
# 38 LEU MD1 38 LEU QB 2.80 (# 19368.1 Unique )
&rst
ixpk= 19368, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 601, 602, 603,
igr2= 596, 597,
&end
#
# 122 ARG QB 122 ARG QB 2.50 (# 19376.1 Unique )
#This appears to be self-referential: ignoring
#
# 38 LEU MD1 38 LEU HG 2.90 (# 19391.1 Unique )
&rst
ixpk= 19391, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 601, 602, 603,
&end
#
# 80 TYR HA 29 ILE HB 2.80 (# 19394.1 Unique )
&rst
ixpk= 19394, nxpk= 0, iat=1232, 460, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 14 LEU HA 14 LEU QB 2.80 (# 19397.1 Unique )
&rst
ixpk= 19397, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 231, 232,
&end
#
# 38 LEU MD1 0 AMB m:19404 2.60 (# 19404.1 Single Ambig [QB 109 MB 46] )
&rst
ixpk= 19404, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 601, 602, 603,
igr2=1704,1705, 718, 719, 720,
&end
#
# 139 LEU HG 139 LEU MD2 2.60 (# 19409.1 Unique )
&rst
ixpk= 19409, nxpk= 0, iat=2173, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2=2179,2180,2181,
&end
#
# 131 LEU HG 0 AMB m:19412 3.00 (# 19412.1 Single Ambig [MD1 131 MD2 131] )
&rst
ixpk= 19412, nxpk= 0, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2036,2037,2038,2040,2041,2042,
&end
#
# 22 LEU HA 0 AMB m:19416 3.00 (# 19416.1 Single Ambig [MD2 22 MD1 22] )
&rst
ixpk= 19416, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 355, 356, 357, 351, 352, 353,
&end
#
# 67 LEU HG 0 AMB m:19420 2.50 (# 19420.1 Single Ambig [MD2 67 MD1 67] )
&rst
ixpk= 19420, nxpk= 0, iat=1034, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1040,1041,1042,1036,1037,1038,
&end
#
# 124 LEU HG 0 AMB m:19428 2.60 (# 19428.1 Single Ambig [MD1 124 MD2 124] )
&rst
ixpk= 19428, nxpk= 0, iat=1934, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2=1936,1937,1938,1940,1941,1942,
&end
#
# 78 ILE QG1 0 AMB m:19432 2.80 (# 19432.1 Single Ambig [MD 78 MG2 78] )
&rst
ixpk= 19432, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1204,1205,
igr2=1207,1208,1209,1200,1201,1202,
&end
#
# 125 ASN HA 0 AMB m:19440 2.90 (# 19440.1 Single Ambig [HN 129 HN 125] )
&rst
ixpk= 19440, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=2000,1946,
&end
#
# 73 GLU HA 0 AMB m:19444 3.50 (# 19444.1 Single Ambig [HN 74 HN 27]; orig = 2.20 )
&rst
ixpk= 19444, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1135, 428,
&end
#
# 132 ASN HA 136 GLN HN 4.50 (# 19448.1 Unique; orig = 3.30 )
&rst
ixpk= 19448, nxpk= 0, iat=2048,2116, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 LEU HG 14 LEU HN 2.60 (# 19454.1 Unique )
&rst
ixpk= 19454, nxpk= 0, iat= 234, 227, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 109 LEU MD2 109 LEU HA 3.90 (# 19460.1 Unique )
&rst
ixpk= 19460, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1713,1714,1715,
&end
#
# 109 LEU MD2 0 AMB m:19463 3.00 (# 19463.1 Single Ambig [HA 46 HA 106] )
&rst
ixpk= 19463, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1713,1714,1715,
igr2= 716,1651,
&end
#
# 35 LEU MD2 120 ALA HA 3.00 (# 19467.1 Unique )
&rst
ixpk= 19467, nxpk= 0, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 560, 561, 562,
&end
#
# 132 ASN HA 132 ASN QB 2.70 (# 19470.1 Unique )
&rst
ixpk= 19470, nxpk= 0, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2=2050,2051,
&end
#
# 117 GLU HA 117 GLU QB 2.80 (# 19478.1 Unique )
&rst
ixpk= 19478, nxpk= 0, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1833,1834,
&end
#
# 43 GLU HA 43 GLU QG 3.60 (# 19482.1 Unique )
&rst
ixpk= 19482, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 680, 681,
&end
#
# 73 GLU HA 73 GLU QB 2.80 (# 19486.1 Unique )
&rst
ixpk= 19486, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1124,1125,
&end
#
# 35 LEU MD2 35 LEU QB 3.00 (# 19490.1 Unique )
&rst
ixpk= 19490, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 560, 561, 562,
igr2= 551, 552,
&end
#
# 109 LEU MD2 109 LEU QB 2.80 (# 19504.1 Unique )
&rst
ixpk= 19504, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1713,1714,1715,
igr2=1704,1705,
&end
#
# 142 LEU HA 142 LEU QB 2.80 (# 19512.1 Unique )
&rst
ixpk= 19512, nxpk= 0, iat=2223, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2225,2226,
&end
#
# 142 LEU MD1 142 LEU HG 2.20 (# 19516.1 Unique )
&rst
ixpk= 19516, nxpk= 0, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1=2230,2231,2232,
&end
#
# 67 LEU MD1 122 ARG QB 3.50 (# 19523.1 Unique; orig = 2.30 )
&rst
ixpk= 19523, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1036,1037,1038,
igr2=1891,1892,
&end
#
# 127 LEU MD1 127 LEU HG 2.20 (# 19532.1 Unique )
&rst
ixpk= 19532, nxpk= 0, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1=1983,1984,1985,
&end
#
# 141 LEU HA 141 LEU QB 3.00 (# 19539.1 Unique )
&rst
ixpk= 19539, nxpk= 0, iat=2204, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2206,2207,
&end
#
# 35 LEU MD2 0 AMB m:19543 2.40 (# 19543.1 Single Ambig [HG 35 QB 35] )
&rst
ixpk= 19543, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 560, 561, 562,
igr2= 554, 551, 552,
&end
#
# 35 LEU MD2 120 ALA MB 2.80 (# 19548.1 Unique )
&rst
ixpk= 19548, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 560, 561, 562,
igr2=1871,1872,1873,
&end
#
# 141 LEU MD2 49 ALA MB 3.10 (# 19556.1 Unique )
&rst
ixpk= 19556, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=2215,2216,2217,
igr2= 760, 761, 762,
&end
#
# 109 LEU MD2 49 ALA MB 3.10 (# 19563.1 Unique )
&rst
ixpk= 19563, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1713,1714,1715,
igr2= 760, 761, 762,
&end
#
# 50 LEU HG 0 AMB m:19575 3.00 (# 19575.1 Single Ambig [MD2 50 MD1 50] )
&rst
ixpk= 19575, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 779, 780, 781, 775, 776, 777,
&end
#
# 5 ARG HA 6 PHE HN 2.60 (# 19579.1 Unique )
&rst
ixpk= 19579, nxpk= 0, iat= 67, 89, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 22 LEU MD1 19 GLU QB 4.50 (# 19586.1 Unique; orig = 2.90 )
&rst
ixpk= 19586, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 351, 352, 353,
igr2= 306, 307,
&end
#
# 22 LEU MD1 22 LEU HG 2.60 (# 19599.1 Unique )
&rst
ixpk= 19599, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 351, 352, 353,
&end
#
# 94 GLU HA 97 LYS HN 4.10 (# 19602.1 Unique )
&rst
ixpk= 19602, nxpk= 0, iat=1468,1515, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 92 MET HA 92 MET HN 3.40 (# 19605.1 Unique )
&rst
ixpk= 19605, nxpk= 0, iat=1439,1437, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 94 GLU HA 94 GLU QB 2.50 (# 19608.1 Unique )
&rst
ixpk= 19608, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2=1470,1471,
&end
#
# 94 GLU HA 94 GLU QG 3.60 (# 19612.1 Unique )
&rst
ixpk= 19612, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1473,1474,
&end
#
# 92 MET HA 92 MET QB 3.30 (# 19616.1 Unique )
&rst
ixpk= 19616, nxpk= 0, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1441,1442,
&end
#
# 92 MET HA 103 VAL HA 6.00 (# 19620.1 Unique; orig = 4.30 )
&rst
ixpk= 19620, nxpk= 0, iat=1439,1614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 92 MET QB 95 ALA MB 6.00 (# 19643.1 Unique )
&rst
ixpk= 19643, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1441,1442,
igr2=1485,1486,1487,
&end
#
# 92 MET QB 0 AMB m:19655 6.00 (# 19655.1 Single Ambig [MG2 88 QG1 108] )
&rst
ixpk= 19655, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1441,1442,
igr2=1379,1380,1381,1691,1692,
&end
#
# 92 MET QB 89 GLU HA 5.40 (# 19660.1 Unique )
&rst
ixpk= 19660, nxpk= 0, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1441,1442,
&end
#
# 92 MET QB 96 ARG HE 6.00 (# 19664.1 Unique; orig = 5.00 )
&rst
ixpk= 19664, nxpk= 0, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1441,1442,
&end
#
# 92 MET QB 92 MET HN 4.30 (# 19672.1 Unique )
&rst
ixpk= 19672, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1441,1442,
&end
#
# 92 MET QB 6 PHE HD 5.60 (# 19676.1 Unique )
&rst
ixpk= 19676, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1441,1442,
igr2= 97, 105,
&end
#
# 92 MET ME 103 VAL MG1 6.00 (# 19687.1 Unique )
&rst
ixpk= 19687, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1448,1449,1450,
igr2=1618,1619,1620,
&end
#
# 92 MET ME 92 MET HA 4.70 (# 19693.1 Unique )
&rst
ixpk= 19693, nxpk= 0, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1448,1449,1450,
&end
#
# 92 MET ME 92 MET HN 4.90 (# 19696.1 Unique )
&rst
ixpk= 19696, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1448,1449,1450,
&end
#
# 92 MET ME 93 ASP HN 6.00 (# 19699.1 Unique )
&rst
ixpk= 19699, nxpk= 0, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1448,1449,1450,
&end
#
# 67 LEU HA 67 LEU HN 3.60 (# 19705.1 Unique )
&rst
ixpk= 19705, nxpk= 0, iat=1029,1027, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 67 LEU QB 68 ILE MG2 4.80 (# 19711.1 Unique )
&rst
ixpk= 19711, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1031,1032,
igr2=1052,1053,1054,
&end
#
# 67 LEU MD2 67 LEU HG 2.50 (# 19728.1 Unique )
&rst
ixpk= 19728, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1040,1041,1042,
&end
#
# 67 LEU MD2 126 ASN QD2 4.10 (# 19731.1 Unique )
&rst
ixpk= 19731, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1040,1041,1042,
igr2=1969,1970,
&end
#
# 67 LEU MD2 67 LEU HN 5.60 (# 19734.1 Unique )
&rst
ixpk= 19734, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1040,1041,1042,
&end
#
# 67 LEU MD2 68 ILE HN 6.00 (# 19737.1 Unique )
&rst
ixpk= 19737, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1040,1041,1042,
&end
#
# 67 LEU MD2 126 ASN QD2 4.70 (# 19746.1 Unique )
&rst
ixpk= 19746, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1040,1041,1042,
igr2=1969,1970,
&end
#
# 67 LEU MD1 67 LEU HA 5.80 (# 19752.1 Unique )
&rst
ixpk= 19752, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1036,1037,1038,
&end
#
# 67 LEU MD1 123 VAL HA 4.20 (# 19764.1 Unique )
&rst
ixpk= 19764, nxpk= 0, iat= -1,1913, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1036,1037,1038,
&end
#
# 67 LEU MD1 63 GLU HA 4.50 (# 19767.1 Unique; orig = 3.60 )
&rst
ixpk= 19767, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1036,1037,1038,
&end
#
# 0 AMB m:19770 37 GLY QA 4.50 (# 19770.1 Single Ambig [MD1 16 MD2 16] )
&rst
ixpk= 19770, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 265, 266, 267, 269, 270, 271,
igr2= 587, 588,
&end
#
# 16 LEU MD1 41 GLU QB 3.60 (# 19775.1 Unique )
&rst
ixpk= 19775, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 265, 266, 267,
igr2= 655, 656,
&end
#
# 108 ILE HA 108 ILE QG1 3.40 (# 19779.1 Unique )
&rst
ixpk= 19779, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1691,1692,
&end
#
# 108 ILE HA 108 ILE HB 3.80 (# 19783.1 Unique )
&rst
ixpk= 19783, nxpk= 0, iat=1683,1685, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 108 ILE HA 108 ILE MD 4.30 (# 19786.1 Unique )
&rst
ixpk= 19786, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1694,1695,1696,
&end
#
# 34 ILE HB 0 AMB m:19808 3.80 (# 19808.1 Single Ambig [HA 31 HA 34] )
&rst
ixpk= 19808, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 484, 530,
&end
#
# 108 ILE QG1 109 LEU HN 6.00 (# 19835.1 Unique )
&rst
ixpk= 19835, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1691,1692,
&end
#
# 108 ILE MG2 108 ILE HN 4.80 (# 19847.1 Unique )
&rst
ixpk= 19847, nxpk= 0, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1687,1688,1689,
&end
#
# 108 ILE MG2 109 LEU HN 4.40 (# 19850.1 Unique )
&rst
ixpk= 19850, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1687,1688,1689,
&end
#
# 78 ILE MG2 18 GLN QB 3.50 (# 19860.1 Unique; orig = 2.60 )
&rst
ixpk= 19860, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1200,1201,1202,
igr2= 289, 290,
&end
#
# 108 ILE MD 14 LEU MD1 4.00 (# 19864.1 Unique )
&rst
ixpk= 19864, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1694,1695,1696,
igr2= 236, 237, 238,
&end
#
# 108 ILE MD 13 VAL MG1 3.50 (# 19867.1 Unique; orig = 2.60 )
&rst
ixpk= 19867, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1694,1695,1696,
igr2= 217, 218, 219,
&end
#
# 134 ALA HA 134 ALA HN 3.30 (# 19873.1 Unique )
&rst
ixpk= 19873, nxpk= 0, iat=2084,2082, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 3 PHE HA 3 PHE QB 3.40 (# 19898.1 Unique )
&rst
ixpk= 19898, nxpk= 0, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 42, 43,
&end
#
# 4 GLY QA 103 VAL MG2 4.90 (# 19902.1 Unique )
&rst
ixpk= 19902, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 60, 61,
igr2=1622,1623,1624,
&end
#
# 5 ARG HA 5 ARG QB 3.50 (# 19906.1 Unique )
&rst
ixpk= 19906, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 69, 70,
&end
#
# 126 ASN HA 127 LEU HN 4.20 (# 19910.1 Unique )
&rst
ixpk= 19910, nxpk= 0, iat=1962,1974, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 5 ARG QB 102 TYR HA 5.60 (# 19936.1 Unique )
&rst
ixpk= 19936, nxpk= 0, iat= -1,1593, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 69, 70,
&end
#
# 5 ARG QB 5 ARG HN 4.50 (# 19940.1 Unique )
&rst
ixpk= 19940, nxpk= 0, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 69, 70,
&end
#
# 5 ARG QB 5 ARG QB 3.90 (# 19944.1 Unique )
#This appears to be self-referential: ignoring
#
# 5 ARG QB 5 ARG HA 6.00 (# 19950.1 Unique )
&rst
ixpk= 19950, nxpk= 0, iat= -1, 67, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 69, 70,
&end
#
# 23 ARG QB 23 ARG HE 4.50 (# 19954.1 Unique; orig = 3.90 )
&rst
ixpk= 19954, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 365, 366,
&end
#
# 5 ARG QB 102 TYR HD 6.00 (# 19958.1 Unique )
&rst
ixpk= 19958, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 69, 70,
igr2=1599,1608,
&end
#
# 2 MET HA 2 MET QB 3.90 (# 19971.1 Unique )
&rst
ixpk= 19971, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 25, 26,
&end
#
# 133 LYS QB 133 LYS QB 4.40 (# 19979.1 Unique )
#This appears to be self-referential: ignoring
#
# 6 PHE QB 11 GLN QB 5.20 (# 19997.1 Unique )
&rst
ixpk= 19997, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 93, 94,
igr2= 176, 177,
&end
#
# 7 THR HB 9 ARG HN 3.90 (# 20013.1 Unique )
&rst
ixpk= 20013, nxpk= 0, iat= 113, 138, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 7 THR HB 7 THR HN 4.80 (# 20016.1 Unique )
&rst
ixpk= 20016, nxpk= 0, iat= 113, 109, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 7 THR HB 10 ALA HN 4.80 (# 20019.1 Unique )
&rst
ixpk= 20019, nxpk= 0, iat= 113, 162, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 7 THR MG2 104 GLY QA 3.40 (# 20022.1 Unique )
&rst
ixpk= 20022, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 115, 116, 117,
igr2=1630,1631,
&end
#
# 7 THR MG2 10 ALA MB 4.40 (# 20032.1 Unique )
&rst
ixpk= 20032, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 115, 116, 117,
igr2= 166, 167, 168,
&end
#
# 8 GLU HA 0 AMB m:20035 3.80 (# 20035.1 Single Ambig [HN 11 HN 9] )
&rst
ixpk= 20035, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 172, 138,
&end
#
# 8 GLU HA 11 GLN QE2 5.20 (# 20048.1 Unique )
&rst
ixpk= 20048, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 184, 185,
&end
#
# 8 GLU HA 8 GLU QG 4.50 (# 20051.1 Unique; orig = 3.40 )
&rst
ixpk= 20051, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 130, 131,
&end
#
# 8 GLU HA 11 GLN QB 6.00 (# 20055.1 Unique )
&rst
ixpk= 20055, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 176, 177,
&end
#
# 8 GLU QG 9 ARG HN 6.00 (# 20073.1 Unique )
&rst
ixpk= 20073, nxpk= 0, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 130, 131,
&end
#
# 9 ARG QB 9 ARG HA 5.40 (# 20084.1 Unique )
&rst
ixpk= 20084, nxpk= 0, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 142, 143,
&end
#
# 83 ARG QB 83 ARG QB 3.50 (# 20096.1 Unique )
#This appears to be self-referential: ignoring
#
# 9 ARG QB 44 GLY QA 3.80 (# 20102.1 Unique )
&rst
ixpk= 20102, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 142, 143,
igr2= 690, 691,
&end
#
# 9 ARG HA 9 ARG QB 4.30 (# 20107.1 Unique )
&rst
ixpk= 20107, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 142, 143,
&end
#
# 144 SER QB 144 SER HN 3.60 (# 20115.1 Unique )
&rst
ixpk= 20115, nxpk= 0, iat= -1,2247, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2251,2252,
&end
#
# 141 LEU HA 142 LEU HN 4.20 (# 20127.1 Unique )
&rst
ixpk= 20127, nxpk= 0, iat=2204,2221, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 141 LEU HA 141 LEU HN 3.30 (# 20130.1 Unique )
&rst
ixpk= 20130, nxpk= 0, iat=2204,2202, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 141 LEU HA 141 LEU HG 3.80 (# 20136.1 Unique )
&rst
ixpk= 20136, nxpk= 0, iat=2204,2209, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 141 LEU HA 140 GLN QB 6.00 (# 20139.1 Unique )
&rst
ixpk= 20139, nxpk= 0, iat=2204, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2189,2190,
&end
#
# 141 LEU HA 0 AMB m:20143 5.80 (# 20143.1 Single Ambig [HN 144 HN 145 HN 140] )
&rst
ixpk= 20143, nxpk= 0, iat=2204, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=2247,2258,2185,
&end
#
# 53 LEU MD2 53 LEU HN 4.50 (# 20156.1 Unique )
&rst
ixpk= 20156, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 825, 826, 827,
&end
#
# 142 LEU MD2 107 HIS HE1 4.70 (# 20159.1 Unique )
&rst
ixpk= 20159, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=2234,2235,2236,
&end
#
# 141 LEU MD1 141 LEU HN 4.50 (# 20162.1 Unique; orig = 4.00 )
&rst
ixpk= 20162, nxpk= 0, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2211,2212,2213,
&end
#
# 0 AMB m:20184 49 ALA HN 5.00 (# 20184.1 Single Ambig [MD2 141 MG2 138] )
&rst
ixpk= 20184, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2215,2216,2217,2160,2161,2162,
&end
#
# 50 LEU MD2 51 GLN HN 6.00 (# 20194.1 Unique )
&rst
ixpk= 20194, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 779, 780, 781,
&end
#
# 50 LEU MD2 50 LEU HN 4.50 (# 20197.1 Unique )
&rst
ixpk= 20197, nxpk= 0, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 779, 780, 781,
&end
#
# 140 GLN HA 0 AMB m:20200 3.90 (# 20200.1 Single Ambig [HN 141 HN 143] )
&rst
ixpk= 20200, nxpk= 0, iat=2187, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=2202,2240,
&end
#
# 140 GLN HA 142 LEU HN 4.50 (# 20204.1 Unique; orig = 3.80 )
&rst
ixpk= 20204, nxpk= 0, iat=2187,2221, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 GLU HA 64 VAL HN 4.00 (# 20210.1 Unique )
&rst
ixpk= 20210, nxpk= 0, iat= 972, 985, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 63 GLU HA 67 LEU HN 5.40 (# 20213.1 Unique )
&rst
ixpk= 20213, nxpk= 0, iat= 972,1027, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 140 GLN QB 139 LEU HN 6.00 (# 20216.1 Unique; orig = 4.60 )
&rst
ixpk= 20216, nxpk= 0, iat= -1,2166, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2189,2190,
&end
#
# 140 GLN QB 137 GLN QE2 5.80 (# 20220.1 Unique )
&rst
ixpk= 20220, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1=2189,2190,
igr2=2145,2146,
&end
#
# 0 AMB m:20228a 0 AMB m:20228b 3.30 (# 20228.1 Double Ambig [QB 51 QB 140] [QE2 51 QE2 140] )
&rst
ixpk= 20228, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 789, 790,2189,2190,
igr2= 797, 798,2197,2198,
&end
#
# 140 GLN QB 140 GLN QE2 5.40 (# 20233.1 Unique )
&rst
ixpk= 20233, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=2189,2190,
igr2=2197,2198,
&end
#
# 139 LEU HA 139 LEU HN 3.10 (# 20241.1 Unique )
&rst
ixpk= 20241, nxpk= 0, iat=2168,2166, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 138 VAL HA 141 LEU QB 3.30 (# 20244.1 Unique )
&rst
ixpk= 20244, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=2206,2207,
&end
#
# 0 AMB m:20252a 0 AMB m:20252b 3.80 (# 20252.1 Double Ambig [HA 13 HA 87] [QB 41 QB 115] )
&rst
ixpk= 20252, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 213,1359,
igr2= 655, 656,1811,1812,
&end
#
# 87 VAL HA 90 LEU HN 4.50 (# 20260.1 Unique )
&rst
ixpk= 20260, nxpk= 0, iat=1359,1407, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB m:20263a 0 AMB m:20263b 4.40 (# 20263.1 Double Ambig [HA 87 HA 13] [HN 91 HN 17] )
&rst
ixpk= 20263, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1359, 213,
igr2=1426, 275,
&end
#
# 138 VAL HA 141 LEU HN 3.90 (# 20267.1 Unique )
&rst
ixpk= 20267, nxpk= 0, iat=2152,2202, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 13 VAL HA 14 LEU HN 4.00 (# 20270.1 Unique )
&rst
ixpk= 20270, nxpk= 0, iat= 213, 227, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 64 VAL HA 67 LEU HN 4.30 (# 20273.1 Unique )
&rst
ixpk= 20273, nxpk= 0, iat= 987,1027, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 138 VAL MG1 139 LEU HA 4.50 (# 20282.1 Unique; orig = 3.50 )
&rst
ixpk= 20282, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2156,2157,2158,
&end
#
# 138 VAL MG1 107 HIS HA 5.00 (# 20285.1 Unique )
&rst
ixpk= 20285, nxpk= 0, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2156,2157,2158,
&end
#
# 138 VAL MG1 107 HIS HN 6.00 (# 20288.1 Unique )
&rst
ixpk= 20288, nxpk= 0, iat= -1,1664, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2156,2157,2158,
&end
#
# 138 VAL MG1 141 LEU HN 5.40 (# 20291.1 Unique )
&rst
ixpk= 20291, nxpk= 0, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2156,2157,2158,
&end
#
# 138 VAL MG1 0 AMB m:20294 4.50 (# 20294.1 Single Ambig [HN 46 HN 142] )
&rst
ixpk= 20294, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2156,2157,2158,
igr2= 714,2221,
&end
#
# 136 GLN HA 135 ARG HA 5.20 (# 20298.1 Unique )
&rst
ixpk= 20298, nxpk= 0, iat=2118,2094, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 136 GLN HA 139 LEU HN 3.80 (# 20301.1 Unique )
&rst
ixpk= 20301, nxpk= 0, iat=2118,2166, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 140 GLN QB 0 AMB m:20317 5.80 (# 20317.1 Single Ambig [MD1 141 MD2 141] )
&rst
ixpk= 20317, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr1=2189,2190,
igr2=2211,2212,2213,2215,2216,2217,
&end
#
# 140 GLN QB 141 LEU QB 4.80 (# 20322.1 Unique )
&rst
ixpk= 20322, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2189,2190,
igr2=2206,2207,
&end
#
# 76 GLN QB 76 GLN QE2 4.50 (# 20327.1 Unique; orig = 3.10 )
&rst
ixpk= 20327, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1167,1168,
igr2=1175,1176,
&end
#
# 135 ARG HA 135 ARG QB 3.10 (# 20339.1 Unique )
&rst
ixpk= 20339, nxpk= 0, iat=2094, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=2096,2097,
&end
#
# 135 ARG HA 113 ILE MD 4.60 (# 20343.1 Unique )
&rst
ixpk= 20343, nxpk= 0, iat=2094, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1777,1778,1779,
&end
#
# 135 ARG HA 135 ARG HN 3.40 (# 20350.1 Unique )
&rst
ixpk= 20350, nxpk= 0, iat=2094,2092, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 135 ARG HA 138 VAL HN 3.90 (# 20353.1 Unique )
&rst
ixpk= 20353, nxpk= 0, iat=2094,2150, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 135 ARG HA 0 AMB m:20356 4.10 (# 20356.1 Single Ambig [HN 136 HN 137] )
&rst
ixpk= 20356, nxpk= 0, iat=2094, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=2116,2133,
&end
#
# 122 ARG QB 119 VAL HA 3.80 (# 20366.1 Unique )
&rst
ixpk= 20366, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1891,1892,
&end
#
# 23 ARG QB 23 ARG QB 4.30 (# 20370.1 Unique )
#This appears to be self-referential: ignoring
#
# 135 ARG QB 135 ARG HN 6.00 (# 20384.1 Unique )
&rst
ixpk= 20384, nxpk= 0, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2096,2097,
&end
#
# 135 ARG QB 136 GLN HN 5.60 (# 20388.1 Unique )
&rst
ixpk= 20388, nxpk= 0, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=2096,2097,
&end
#
# 135 ARG QB 132 ASN HA 5.20 (# 20396.1 Unique )
&rst
ixpk= 20396, nxpk= 0, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=2096,2097,
&end
#
# 70 ARG QB 70 ARG HE 6.00 (# 20404.1 Unique; orig = 4.10 )
&rst
ixpk= 20404, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1076,1077,
&end
#
# 134 ALA HA 137 GLN QB 3.40 (# 20412.1 Unique )
&rst
ixpk= 20412, nxpk= 0, iat=2084, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=2137,2138,
&end
#
# 134 ALA HA 138 VAL HN 4.70 (# 20417.1 Unique )
&rst
ixpk= 20417, nxpk= 0, iat=2084,2150, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 134 ALA MB 137 GLN QB 5.20 (# 20426.1 Unique )
&rst
ixpk= 20426, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=2086,2087,2088,
igr2=2137,2138,
&end
#
# 134 ALA MB 135 ARG HA 4.60 (# 20430.1 Unique )
&rst
ixpk= 20430, nxpk= 0, iat= -1,2094, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=2086,2087,2088,
&end
#
# 134 ALA MB 133 LYS HN 6.00 (# 20433.1 Unique )
&rst
ixpk= 20433, nxpk= 0, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2086,2087,2088,
&end
#
# 134 ALA MB 138 VAL HN 5.00 (# 20436.1 Unique )
&rst
ixpk= 20436, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2086,2087,2088,
&end
#
# 132 ASN HA 135 ARG QB 5.00 (# 20439.1 Unique )
&rst
ixpk= 20439, nxpk= 0, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2096,2097,
&end
#
# 73 GLU HA 73 GLU HN 3.40 (# 20443.1 Unique )
&rst
ixpk= 20443, nxpk= 0, iat=1122,1120, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 132 ASN HA 133 LYS HN 4.30 (# 20449.1 Unique )
&rst
ixpk= 20449, nxpk= 0, iat=2048,2060, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 132 ASN QB 130 SER QB 6.00 (# 20452.1 Unique )
&rst
ixpk= 20452, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2050,2051,
igr2=2020,2021,
&end
#
# 132 ASN QB 133 LYS HA 5.40 (# 20457.1 Unique )
&rst
ixpk= 20457, nxpk= 0, iat= -1,2062, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=2050,2051,
&end
#
# 132 ASN QB 133 LYS QB 5.80 (# 20461.1 Unique )
&rst
ixpk= 20461, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1=2050,2051,
igr2=2064,2065,
&end
#
# 132 ASN QB 131 LEU MD1 6.00 (# 20466.1 Unique )
&rst
ixpk= 20466, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2050,2051,
igr2=2036,2037,2038,
&end
#
# 132 ASN QB 134 ALA HN 6.00 (# 20474.1 Unique )
&rst
ixpk= 20474, nxpk= 0, iat= -1,2082, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2050,2051,
&end
#
# 132 ASN QB 133 LYS HN 4.50 (# 20478.1 Unique; orig = 3.30 )
&rst
ixpk= 20478, nxpk= 0, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2050,2051,
&end
#
# 131 LEU HA 131 LEU HN 3.60 (# 20490.1 Unique )
&rst
ixpk= 20490, nxpk= 0, iat=2029,2027, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 130 SER HA 130 SER QB 3.10 (# 20493.1 Unique )
&rst
ixpk= 20493, nxpk= 0, iat=2018, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=2020,2021,
&end
#
# 130 SER HA 113 ILE MG2 4.50 (# 20497.1 Unique; orig = 3.50 )
&rst
ixpk= 20497, nxpk= 0, iat=2018, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1770,1771,1772,
&end
#
# 130 SER HA 131 LEU HN 2.80 (# 20500.1 Unique )
&rst
ixpk= 20500, nxpk= 0, iat=2018,2027, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 130 SER QB 130 SER HN 3.60 (# 20506.1 Unique )
&rst
ixpk= 20506, nxpk= 0, iat= -1,2016, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2020,2021,
&end
#
# 130 SER QB 133 LYS HN 4.90 (# 20510.1 Unique )
&rst
ixpk= 20510, nxpk= 0, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=2020,2021,
&end
#
# 129 VAL HA 129 VAL HB 3.80 (# 20514.1 Unique )
&rst
ixpk= 20514, nxpk= 0, iat=2002,2004, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 129 VAL HB 130 SER HN 6.00 (# 20520.1 Unique )
&rst
ixpk= 20520, nxpk= 0, iat=2004,2016, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 129 VAL HA 129 VAL HN 3.40 (# 20523.1 Unique )
&rst
ixpk= 20523, nxpk= 0, iat=2002,2000, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 64 VAL MG1 68 ILE HN 5.40 (# 20529.1 Unique )
&rst
ixpk= 20529, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 991, 992, 993,
&end
#
# 64 VAL MG1 67 LEU HN 6.00 (# 20535.1 Unique )
&rst
ixpk= 20535, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 991, 992, 993,
&end
#
# 0 AMB m:20538 124 LEU QB 3.90 (# 20538.1 Single Ambig [MG1 129 MG2 129] )
&rst
ixpk= 20538, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=2006,2007,2008,2010,2011,2012,
igr2=1931,1932,
&end
#
# 129 VAL MG1 135 ARG HN 6.00 (# 20543.1 Unique )
&rst
ixpk= 20543, nxpk= 0, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2006,2007,2008,
&end
#
# 128 GLY QA 129 VAL MG2 5.60 (# 20546.1 Unique )
&rst
ixpk= 20546, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1995,1996,
igr2=2010,2011,2012,
&end
#
# 127 LEU HA 127 LEU HG 3.80 (# 20554.1 Unique )
&rst
ixpk= 20554, nxpk= 0, iat=1976,1981, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 127 LEU HA 128 GLY HN 4.30 (# 20560.1 Unique )
&rst
ixpk= 20560, nxpk= 0, iat=1976,1993, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 127 LEU QB 0 AMB m:20571 5.00 (# 20571.1 Single Ambig [HA 124 QA 128] )
&rst
ixpk= 20571, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1978,1979,
igr2=1929,1995,1996,
&end
#
# 127 LEU HG 127 LEU MD2 2.30 (# 20577.1 Unique )
&rst
ixpk= 20577, nxpk= 0, iat=1981, -1, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr2=1987,1988,1989,
&end
#
# 142 LEU HG 142 LEU QB 3.00 (# 20580.1 Unique )
&rst
ixpk= 20580, nxpk= 0, iat=2228, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2225,2226,
&end
#
# 90 LEU HG 90 LEU QB 3.50 (# 20584.1 Unique )
&rst
ixpk= 20584, nxpk= 0, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1411,1412,
&end
#
# 142 LEU HG 142 LEU HA 4.60 (# 20588.1 Unique )
&rst
ixpk= 20588, nxpk= 0, iat=2228,2223, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 142 LEU HG 140 GLN HA 6.00 (# 20591.1 Unique; orig = 4.10 )
&rst
ixpk= 20591, nxpk= 0, iat=2228,2187, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 36 LEU HG 36 LEU HN 4.80 (# 20597.1 Unique )
&rst
ixpk= 20597, nxpk= 0, iat= 573, 566, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 127 LEU MD1 127 LEU HA 5.40 (# 20612.1 Unique )
&rst
ixpk= 20612, nxpk= 0, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1983,1984,1985,
&end
#
# 127 LEU MD1 63 GLU QG 4.60 (# 20615.1 Unique )
&rst
ixpk= 20615, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1983,1984,1985,
igr2= 977, 978,
&end
#
# 127 LEU MD1 0 AMB m:20619 3.70 (# 20619.1 Single Ambig [HG 55 QB 59] )
&rst
ixpk= 20619, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1983,1984,1985,
igr2= 845, 894, 895,
&end
#
# 127 LEU MD1 60 ILE QG1 3.60 (# 20624.1 Unique )
&rst
ixpk= 20624, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1983,1984,1985,
igr2= 922, 923,
&end
#
# 127 LEU MD1 126 ASN QB 6.00 (# 20634.1 Unique )
&rst
ixpk= 20634, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1983,1984,1985,
igr2=1964,1965,
&end
#
# 127 LEU MD1 127 LEU HN 4.50 (# 20641.1 Unique )
&rst
ixpk= 20641, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1983,1984,1985,
&end
#
# 126 ASN QB 127 LEU MD2 6.00 (# 20653.1 Unique; orig = 4.30 )
&rst
ixpk= 20653, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1964,1965,
igr2=1987,1988,1989,
&end
#
# 126 ASN QB 127 LEU HG 5.00 (# 20657.1 Unique )
&rst
ixpk= 20657, nxpk= 0, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1964,1965,
&end
#
# 126 ASN QB 63 GLU QG 5.20 (# 20661.1 Unique )
&rst
ixpk= 20661, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1964,1965,
igr2= 977, 978,
&end
#
# 126 ASN QB 127 LEU HN 3.90 (# 20674.1 Unique )
&rst
ixpk= 20674, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1964,1965,
&end
#
# 126 ASN QB 125 ASN HN 6.00 (# 20682.1 Unique )
&rst
ixpk= 20682, nxpk= 0, iat= -1,1946, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1964,1965,
&end
#
# 125 ASN HA 124 LEU QB 5.80 (# 20686.1 Unique )
&rst
ixpk= 20686, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1931,1932,
&end
#
# 125 ASN HA 0 AMB m:20690 6.00 (# 20690.1 Single Ambig [MD1 124 MD2 124] )
&rst
ixpk= 20690, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1936,1937,1938,1940,1941,1942,
&end
#
# 125 ASN HA 0 AMB m:20694 5.80 (# 20694.1 Single Ambig [MG2 129 MG1 129] )
&rst
ixpk= 20694, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr2=2010,2011,2012,2006,2007,2008,
&end
#
# 125 ASN HA 126 ASN HN 4.30 (# 20699.1 Unique )
&rst
ixpk= 20699, nxpk= 0, iat=1948,1960, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 125 ASN HA 125 ASN QD2 4.50 (# 20705.1 Unique; orig = 3.30 )
&rst
ixpk= 20705, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1955,1956,
&end
#
# 125 ASN QB 122 ARG HA 3.40 (# 20711.1 Unique )
&rst
ixpk= 20711, nxpk= 0, iat= -1,1889, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1950,1951,
&end
#
# 125 ASN QB 124 LEU QB 6.00 (# 20715.1 Unique )
&rst
ixpk= 20715, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1950,1951,
igr2=1931,1932,
&end
#
# 125 ASN QB 121 ALA HA 6.00 (# 20720.1 Unique )
&rst
ixpk= 20720, nxpk= 0, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1950,1951,
&end
#
# 124 LEU HA 129 VAL HB 4.10 (# 20732.1 Unique )
&rst
ixpk= 20732, nxpk= 0, iat=1929,2004, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 124 LEU HA 123 VAL HB 6.00 (# 20739.1 Unique )
&rst
ixpk= 20739, nxpk= 0, iat=1929,1915, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 124 LEU HA 125 ASN HN 4.30 (# 20742.1 Unique )
&rst
ixpk= 20742, nxpk= 0, iat=1929,1946, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 124 LEU HA 124 LEU HN 3.40 (# 20748.1 Unique )
&rst
ixpk= 20748, nxpk= 0, iat=1929,1927, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 124 LEU HA 128 GLY HN 6.00 (# 20751.1 Unique )
&rst
ixpk= 20751, nxpk= 0, iat=1929,1993, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 124 LEU QB 0 AMB m:20754 3.60 (# 20754.1 Single Ambig [HA 124 HA 121] )
&rst
ixpk= 20754, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1931,1932,
igr2=1929,1879,
&end
#
# 124 LEU HG 123 VAL MG2 4.90 (# 20767.1 Unique )
&rst
ixpk= 20767, nxpk= 0, iat=1934, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1921,1922,1923,
&end
#
# 124 LEU HG 123 VAL HB 4.70 (# 20777.1 Unique )
&rst
ixpk= 20777, nxpk= 0, iat=1934,1915, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 24 LEU HG 24 LEU HN 4.90 (# 20786.1 Unique )
&rst
ixpk= 20786, nxpk= 0, iat= 392, 385, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 124 LEU MD1 112 LEU QB 3.60 (# 20789.1 Unique )
&rst
ixpk= 20789, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1936,1937,1938,
igr2=1749,1750,
&end
#
# 124 LEU MD1 124 LEU HA 4.70 (# 20796.1 Unique )
&rst
ixpk= 20796, nxpk= 0, iat= -1,1929, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1936,1937,1938,
&end
#
# 124 LEU MD1 125 ASN HN 6.00 (# 20799.1 Unique )
&rst
ixpk= 20799, nxpk= 0, iat= -1,1946, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1936,1937,1938,
&end
#
# 50 LEU MD1 50 LEU HN 4.70 (# 20805.1 Unique )
&rst
ixpk= 20805, nxpk= 0, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 775, 776, 777,
&end
#
# 50 LEU MD1 39 VAL HN 6.00 (# 20808.1 Unique )
&rst
ixpk= 20808, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 775, 776, 777,
&end
#
# 124 LEU MD1 113 ILE HN 5.00 (# 20811.1 Unique )
&rst
ixpk= 20811, nxpk= 0, iat= -1,1764, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1936,1937,1938,
&end
#
# 123 VAL HA 126 ASN QB 3.90 (# 20814.1 Unique )
&rst
ixpk= 20814, nxpk= 0, iat=1913, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1964,1965,
&end
#
# 123 VAL HA 63 GLU QG 4.50 (# 20818.1 Unique )
&rst
ixpk= 20818, nxpk= 0, iat=1913, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 977, 978,
&end
#
# 123 VAL HA 127 LEU HN 5.40 (# 20828.1 Unique )
&rst
ixpk= 20828, nxpk= 0, iat=1913,1974, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 123 VAL HA 122 ARG HN 6.00 (# 20831.1 Unique )
&rst
ixpk= 20831, nxpk= 0, iat=1913,1887, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 123 VAL HA 126 ASN QD2 3.50 (# 20834.1 Unique )
&rst
ixpk= 20834, nxpk= 0, iat=1913, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1969,1970,
&end
#
# 123 VAL HA 125 ASN HN 5.00 (# 20837.1 Unique )
&rst
ixpk= 20837, nxpk= 0, iat=1913,1946, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 123 VAL HB 0 AMB m:20843 6.00 (# 20843.1 Single Ambig [MD2 124 MD1 124] )
&rst
ixpk= 20843, nxpk= 0, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1940,1941,1942,1936,1937,1938,
&end
#
# 123 VAL HB 122 ARG HN 6.00 (# 20850.1 Unique )
&rst
ixpk= 20850, nxpk= 0, iat=1915,1887, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 123 VAL MG2 126 ASN QB 6.00 (# 20853.1 Unique )
&rst
ixpk= 20853, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1921,1922,1923,
igr2=1964,1965,
&end
#
# 123 VAL MG2 120 ALA HA 4.50 (# 20860.1 Unique; orig = 3.30 )
&rst
ixpk= 20860, nxpk= 0, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1921,1922,1923,
&end
#
# 123 VAL MG2 63 GLU QG 5.20 (# 20866.1 Unique )
&rst
ixpk= 20866, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1921,1922,1923,
igr2= 977, 978,
&end
#
# 123 VAL MG2 122 ARG HN 5.00 (# 20873.1 Unique )
&rst
ixpk= 20873, nxpk= 0, iat= -1,1887, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1921,1922,1923,
&end
#
# 123 VAL MG2 0 AMB m:20876 4.50 (# 20876.1 Single Ambig [QD2 126 HN 124] )
&rst
ixpk= 20876, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1921,1922,1923,
igr2=1969,1970,1927,
&end
#
# 123 VAL MG1 124 LEU HA 3.40 (# 20883.1 Unique )
&rst
ixpk= 20883, nxpk= 0, iat= -1,1929, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1917,1918,1919,
&end
#
# 123 VAL MG1 127 LEU HG 3.10 (# 20886.1 Unique )
&rst
ixpk= 20886, nxpk= 0, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1=1917,1918,1919,
&end
#
# 123 VAL MG1 126 ASN HN 5.60 (# 20889.1 Unique )
&rst
ixpk= 20889, nxpk= 0, iat= -1,1960, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1917,1918,1919,
&end
#
# 123 VAL MG1 64 VAL HN 4.10 (# 20895.1 Unique )
&rst
ixpk= 20895, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1917,1918,1919,
&end
#
# 123 VAL MG1 124 LEU HN 3.40 (# 20898.1 Unique )
&rst
ixpk= 20898, nxpk= 0, iat= -1,1927, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1917,1918,1919,
&end
#
# 123 VAL MG1 126 ASN QD2 5.80 (# 20901.1 Unique )
&rst
ixpk= 20901, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1917,1918,1919,
igr2=1969,1970,
&end
#
# 122 ARG QB 123 VAL HN 6.00 (# 20917.1 Unique )
&rst
ixpk= 20917, nxpk= 0, iat= -1,1911, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1891,1892,
&end
#
# 122 ARG QB 122 ARG HA 5.60 (# 20921.1 Unique )
&rst
ixpk= 20921, nxpk= 0, iat= -1,1889, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1891,1892,
&end
#
# 122 ARG QB 0 AMB m:20929 3.60 (# 20929.1 Single Ambig [MD1 67 MD2 67] )
&rst
ixpk= 20929, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1891,1892,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 120 ALA HA 112 LEU QB 5.60 (# 20942.1 Unique )
&rst
ixpk= 20942, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1749,1750,
&end
#
# 120 ALA HA 0 AMB m:20946 3.60 (# 20946.1 Single Ambig [MG2 123 MG2 64] )
&rst
ixpk= 20946, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1921,1922,1923, 995, 996, 997,
&end
#
# 120 ALA HA 124 LEU MD1 4.80 (# 20950.1 Unique )
&rst
ixpk= 20950, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1936,1937,1938,
&end
#
# 120 ALA HA 35 LEU QB 4.90 (# 20953.1 Unique )
&rst
ixpk= 20953, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 551, 552,
&end
#
# 120 ALA HA 123 VAL HB 3.10 (# 20957.1 Unique )
&rst
ixpk= 20957, nxpk= 0, iat=1869,1915, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 120 ALA HA 32 GLU QB 4.90 (# 20960.1 Unique )
&rst
ixpk= 20960, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 500, 501,
&end
#
# 120 ALA HA 120 ALA HN 3.30 (# 20963.1 Unique )
&rst
ixpk= 20963, nxpk= 0, iat=1869,1867, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 120 ALA HA 124 LEU HN 4.90 (# 20966.1 Unique )
&rst
ixpk= 20966, nxpk= 0, iat=1869,1927, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 120 ALA HA 123 VAL HN 4.10 (# 20969.1 Unique )
&rst
ixpk= 20969, nxpk= 0, iat=1869,1911, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 120 ALA HA 121 ALA HN 4.90 (# 20972.1 Unique )
&rst
ixpk= 20972, nxpk= 0, iat=1869,1877, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 120 ALA MB 112 LEU HA 4.80 (# 20975.1 Unique )
&rst
ixpk= 20975, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1871,1872,1873,
&end
#
# 120 ALA MB 113 ILE HA 5.60 (# 20978.1 Unique )
&rst
ixpk= 20978, nxpk= 0, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1871,1872,1873,
&end
#
# 120 ALA MB 124 LEU HG 4.50 (# 20981.1 Unique )
&rst
ixpk= 20981, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1871,1872,1873,
&end
#
# 120 ALA MB 124 LEU MD2 6.00 (# 20992.1 Unique; orig = 4.30 )
&rst
ixpk= 20992, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1871,1872,1873,
igr2=1940,1941,1942,
&end
#
# 120 ALA MB 123 VAL MG2 4.50 (# 20995.1 Unique )
&rst
ixpk= 20995, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1871,1872,1873,
igr2=1921,1922,1923,
&end
#
# 119 VAL HA 120 ALA MB 6.00 (# 21004.1 Unique )
&rst
ixpk= 21004, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1871,1872,1873,
&end
#
# 119 VAL HA 121 ALA MB 6.00 (# 21007.1 Unique )
&rst
ixpk= 21007, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1881,1882,1883,
&end
#
# 119 VAL HA 122 ARG HN 4.30 (# 21013.1 Unique )
&rst
ixpk= 21013, nxpk= 0, iat=1853,1887, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 119 VAL HA 120 ALA HN 4.20 (# 21016.1 Unique )
&rst
ixpk= 21016, nxpk= 0, iat=1853,1867, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 119 VAL HA 123 VAL HN 4.80 (# 21022.1 Unique )
&rst
ixpk= 21022, nxpk= 0, iat=1853,1911, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 119 VAL HB 32 GLU HN 4.50 (# 21028.1 Unique )
&rst
ixpk= 21028, nxpk= 0, iat=1855, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 119 VAL HB 31 THR HN 5.40 (# 21037.1 Unique )
&rst
ixpk= 21037, nxpk= 0, iat=1855, 482, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 119 VAL MG2 32 GLU QB 4.00 (# 21043.1 Unique )
&rst
ixpk= 21043, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1861,1862,1863,
igr2= 500, 501,
&end
#
# 119 VAL MG2 67 LEU QB 3.80 (# 21047.1 Unique )
&rst
ixpk= 21047, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1861,1862,1863,
igr2=1031,1032,
&end
#
# 119 VAL MG2 68 ILE HA 6.00 (# 21054.1 Unique )
&rst
ixpk= 21054, nxpk= 0, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1861,1862,1863,
&end
#
# 119 VAL MG2 118 GLY QA 3.60 (# 21057.1 Unique )
&rst
ixpk= 21057, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1861,1862,1863,
igr2=1846,1847,
&end
#
# 119 VAL MG2 32 GLU HA 6.00 (# 21061.1 Unique )
&rst
ixpk= 21061, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1861,1862,1863,
&end
#
# 119 VAL MG2 122 ARG QB 6.00 (# 21064.1 Unique; orig = 4.10 )
&rst
ixpk= 21064, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1861,1862,1863,
igr2=1891,1892,
&end
#
# 119 VAL MG2 68 ILE HN 6.00 (# 21071.1 Unique )
&rst
ixpk= 21071, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1861,1862,1863,
&end
#
# 118 GLY QA 118 GLY HN 4.10 (# 21074.1 Unique )
&rst
ixpk= 21074, nxpk= 0, iat= -1,1844, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1846,1847,
&end
#
# 44 GLY QA 105 THR MG2 3.60 (# 21083.1 Unique )
&rst
ixpk= 21083, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 690, 691,
igr2=1641,1642,1643,
&end
#
# 118 GLY QA 31 THR MG2 5.00 (# 21087.1 Unique )
&rst
ixpk= 21087, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1846,1847,
igr2= 488, 489, 490,
&end
#
# 44 GLY QA 45 ILE QG1 4.70 (# 21091.1 Unique )
&rst
ixpk= 21091, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 690, 691,
igr2= 705, 706,
&end
#
# 118 GLY QA 119 VAL HB 5.80 (# 21096.1 Unique )
&rst
ixpk= 21096, nxpk= 0, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1846,1847,
&end
#
# 44 GLY QA 9 ARG QB 5.20 (# 21100.1 Unique )
&rst
ixpk= 21100, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 690, 691,
igr2= 142, 143,
&end
#
# 118 GLY QA 119 VAL HN 3.60 (# 21109.1 Unique )
&rst
ixpk= 21109, nxpk= 0, iat= -1,1851, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1846,1847,
&end
#
# 44 GLY QA 45 ILE HN 3.40 (# 21113.1 Unique )
&rst
ixpk= 21113, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 690, 691,
&end
#
# 116 GLY QA 117 GLU HN 3.80 (# 21129.1 Unique )
&rst
ixpk= 21129, nxpk= 0, iat= -1,1829, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1824,1825,
&end
#
# 111 GLY QA 87 VAL MG1 3.60 (# 21133.1 Unique )
&rst
ixpk= 21133, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1740,1741,
igr2=1363,1364,1365,
&end
#
# 111 GLY QA 90 LEU QB 3.90 (# 21137.1 Unique )
&rst
ixpk= 21137, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1740,1741,
igr2=1411,1412,
&end
#
# 111 GLY QA 114 ARG QB 4.50 (# 21142.1 Unique )
&rst
ixpk= 21142, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1740,1741,
igr2=1787,1788,
&end
#
# 111 GLY QA 114 ARG QB 4.80 (# 21150.1 Unique )
&rst
ixpk= 21150, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1740,1741,
igr2=1787,1788,
&end
#
# 111 GLY QA 0 AMB m:21158 4.30 (# 21158.1 Single Ambig [QB 114 QB 110] )
&rst
ixpk= 21158, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1740,1741,
igr2=1787,1788,1723,1724,
&end
#
# 111 GLY QA 113 ILE HN 5.40 (# 21165.1 Unique )
&rst
ixpk= 21165, nxpk= 0, iat= -1,1764, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1740,1741,
&end
#
# 111 GLY QA 114 ARG HN 5.60 (# 21177.1 Unique )
&rst
ixpk= 21177, nxpk= 0, iat= -1,1783, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1740,1741,
&end
#
# 110 LEU HA 110 LEU HN 3.10 (# 21181.1 Unique )
&rst
ixpk= 21181, nxpk= 0, iat=1721,1719, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 107 HIS HA 107 HIS HD2 3.60 (# 21193.1 Unique )
&rst
ixpk= 21193, nxpk= 0, iat=1666,1677, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 107 HIS QB 95 ALA MB 3.40 (# 21200.1 Unique )
&rst
ixpk= 21200, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1668,1669,
igr2=1485,1486,1487,
&end
#
# 107 HIS QB 108 ILE HN 4.10 (# 21208.1 Unique )
&rst
ixpk= 21208, nxpk= 0, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1668,1669,
&end
#
# 107 HIS QB 95 ALA HN 4.70 (# 21216.1 Unique )
&rst
ixpk= 21216, nxpk= 0, iat= -1,1481, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1668,1669,
&end
#
# 106 GLU HA 106 GLU HN 3.40 (# 21232.1 Unique )
&rst
ixpk= 21232, nxpk= 0, iat=1651,1649, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 31 THR HA 34 ILE HB 3.30 (# 21238.1 Unique )
&rst
ixpk= 21238, nxpk= 0, iat= 484, 532, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 31 THR HA 84 ALA MB 4.50 (# 21241.1 Unique )
&rst
ixpk= 21241, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1307,1308,1309,
&end
#
# 105 THR HA 108 ILE HN 4.30 (# 21244.1 Unique )
&rst
ixpk= 21244, nxpk= 0, iat=1637,1681, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 31 THR HA 34 ILE HN 4.30 (# 21247.1 Unique )
&rst
ixpk= 21247, nxpk= 0, iat= 484, 528, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 31 THR HA 33 HIS HN 5.80 (# 21250.1 Unique )
&rst
ixpk= 21250, nxpk= 0, iat= 484, 511, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 31 THR HA 35 LEU HN 4.80 (# 21253.1 Unique )
&rst
ixpk= 21253, nxpk= 0, iat= 484, 547, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 105 THR HA 109 LEU HN 5.40 (# 21256.1 Unique )
&rst
ixpk= 21256, nxpk= 0, iat=1637,1700, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 31 THR HA 31 THR HN 3.80 (# 21259.1 Unique )
&rst
ixpk= 21259, nxpk= 0, iat= 484, 482, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 105 THR HB 46 ALA HN 4.10 (# 21265.1 Unique )
&rst
ixpk= 21265, nxpk= 0, iat=1639, 714, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 105 THR HB 47 ALA HN 5.20 (# 21268.1 Unique )
&rst
ixpk= 21268, nxpk= 0, iat=1639, 724, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 105 THR HB 105 THR HN 5.80 (# 21271.1 Unique )
&rst
ixpk= 21271, nxpk= 0, iat=1639,1635, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 42 GLY QA 47 ALA MB 3.30 (# 21290.1 Unique )
&rst
ixpk= 21290, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 668, 669,
igr2= 728, 729, 730,
&end
#
# 30 GLY QA 30 GLY HN 3.40 (# 21310.1 Unique )
&rst
ixpk= 21310, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 477, 478,
&end
#
# 30 GLY QA 32 GLU HN 5.20 (# 21318.1 Unique )
&rst
ixpk= 21318, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 477, 478,
&end
#
# 104 GLY QA 9 ARG QB 6.00 (# 21322.1 Unique; orig = 4.10 )
&rst
ixpk= 21322, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1630,1631,
igr2= 142, 143,
&end
#
# 30 GLY QA 81 THR MG2 4.10 (# 21327.1 Unique )
&rst
ixpk= 21327, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 477, 478,
igr2=1257,1258,1259,
&end
#
# 104 GLY QA 105 THR HN 3.30 (# 21331.1 Unique )
&rst
ixpk= 21331, nxpk= 0, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1630,1631,
&end
#
# 37 GLY QA 17 ALA HN 4.60 (# 21339.1 Unique )
&rst
ixpk= 21339, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 587, 588,
&end
#
# 37 GLY QA 38 LEU HN 4.10 (# 21343.1 Unique )
&rst
ixpk= 21343, nxpk= 0, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 587, 588,
&end
#
# 37 GLY QA 16 LEU QB 3.90 (# 21347.1 Unique )
&rst
ixpk= 21347, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 587, 588,
igr2= 260, 261,
&end
#
# 37 GLY QA 16 LEU QB 3.90 (# 21353.1 Unique )
&rst
ixpk= 21353, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 587, 588,
igr2= 260, 261,
&end
#
# 37 GLY QA 40 ARG QB 5.80 (# 21358.1 Unique )
&rst
ixpk= 21358, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 587, 588,
igr2= 631, 632,
&end
#
# 37 GLY QA 17 ALA HA 4.30 (# 21363.1 Unique )
&rst
ixpk= 21363, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 587, 588,
&end
#
# 54 GLY QA 55 LEU HN 4.10 (# 21367.1 Unique )
&rst
ixpk= 21367, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 833, 834,
&end
#
# 54 GLY QA 53 LEU HN 6.00 (# 21371.1 Unique )
&rst
ixpk= 21371, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 833, 834,
&end
#
# 54 GLY QA 55 LEU MD1 6.00 (# 21379.1 Unique )
&rst
ixpk= 21379, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 833, 834,
igr2= 847, 848, 849,
&end
#
# 54 GLY QA 53 LEU QB 5.40 (# 21383.1 Unique )
&rst
ixpk= 21383, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 833, 834,
igr2= 816, 817,
&end
#
# 69 GLY QA 68 ILE HA 5.70 (# 21389.1 Unique )
&rst
ixpk= 21389, nxpk= 0, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1067,1068,
&end
#
# 104 GLY QA 102 TYR HE 5.20 (# 21401.1 Unique )
&rst
ixpk= 21401, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1630,1631,
igr2=1601,1606,
&end
#
# 81 THR HB 82 PRO QB 4.50 (# 21408.1 Unique; orig = 3.30 )
&rst
ixpk= 21408, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1272,1273,
&end
#
# 81 THR HB 81 THR HA 3.80 (# 21412.1 Unique )
&rst
ixpk= 21412, nxpk= 0, iat=1255,1253, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 81 THR HB 83 ARG HN 4.00 (# 21415.1 Unique )
&rst
ixpk= 21415, nxpk= 0, iat=1255,1279, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 81 THR HB 84 ALA HN 5.40 (# 21418.1 Unique )
&rst
ixpk= 21418, nxpk= 0, iat=1255,1303, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 81 THR MG2 81 THR HA 3.80 (# 21421.1 Unique )
&rst
ixpk= 21421, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1257,1258,1259,
&end
#
# 81 THR MG2 0 AMB m:21424 3.50 (# 21424.1 Single Ambig [QA 30 QB 82] )
&rst
ixpk= 21424, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1257,1258,1259,
igr2= 477, 478,1272,1273,
&end
#
# 81 THR MG2 80 TYR QB 6.00 (# 21432.1 Unique )
&rst
ixpk= 21432, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1257,1258,1259,
igr2=1234,1235,
&end
#
# 81 THR MG2 82 PRO QB 6.00 (# 21436.1 Unique )
&rst
ixpk= 21436, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1257,1258,1259,
igr2=1272,1273,
&end
#
# 81 THR MG2 83 ARG QB 5.80 (# 21440.1 Unique )
&rst
ixpk= 21440, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1257,1258,1259,
igr2=1283,1284,
&end
#
# 81 THR MG2 83 ARG QB 6.00 (# 21447.1 Unique )
&rst
ixpk= 21447, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1257,1258,1259,
igr2=1283,1284,
&end
#
# 105 THR MG2 9 ARG HA 4.30 (# 21461.1 Unique )
&rst
ixpk= 21461, nxpk= 0, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1641,1642,1643,
&end
#
# 105 THR MG2 104 GLY QA 5.20 (# 21464.1 Unique )
&rst
ixpk= 21464, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1641,1642,1643,
igr2=1630,1631,
&end
#
# 105 THR MG2 9 ARG QB 4.10 (# 21468.1 Unique )
&rst
ixpk= 21468, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1641,1642,1643,
igr2= 142, 143,
&end
#
# 31 THR MG2 30 GLY QA 6.00 (# 21472.1 Unique )
&rst
ixpk= 21472, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 488, 489, 490,
igr2= 477, 478,
&end
#
# 105 THR MG2 105 THR HG1 4.30 (# 21476.1 Unique )
&rst
ixpk= 21476, nxpk= 0, iat= -1,1645, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1641,1642,1643,
&end
#
# 105 THR MG2 46 ALA HN 4.50 (# 21482.1 Unique )
&rst
ixpk= 21482, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1641,1642,1643,
&end
#
# 105 THR MG2 45 ILE HN 5.00 (# 21488.1 Unique )
&rst
ixpk= 21488, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1641,1642,1643,
&end
#
# 31 THR MG2 119 VAL HN 5.20 (# 21491.1 Unique )
&rst
ixpk= 21491, nxpk= 0, iat= -1,1851, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 488, 489, 490,
&end
#
# 105 THR MG2 7 THR HN 6.00 (# 21494.1 Unique )
&rst
ixpk= 21494, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1641,1642,1643,
&end
#
# 40 ARG HA 40 ARG QB 6.00 (# 21503.1 Unique )
&rst
ixpk= 21503, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 631, 632,
&end
#
# 137 GLN HA 137 GLN QE2 4.30 (# 21507.1 Unique )
&rst
ixpk= 21507, nxpk= 0, iat=2135, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=2145,2146,
&end
#
# 137 GLN HA 137 GLN QE2 3.30 (# 21510.1 Unique )
&rst
ixpk= 21510, nxpk= 0, iat=2135, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=2145,2146,
&end
#
# 40 ARG HA 40 ARG HN 3.40 (# 21513.1 Unique )
&rst
ixpk= 21513, nxpk= 0, iat= 629, 627, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 137 GLN QB 138 VAL HN 3.60 (# 21524.1 Unique )
&rst
ixpk= 21524, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2137,2138,
&end
#
# 137 GLN QB 137 GLN HN 2.90 (# 21528.1 Unique )
&rst
ixpk= 21528, nxpk= 0, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=2137,2138,
&end
#
# 137 GLN QB 137 GLN QE2 3.10 (# 21532.1 Unique )
&rst
ixpk= 21532, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=2137,2138,
igr2=2145,2146,
&end
#
# 137 GLN QB 53 LEU MD2 4.50 (# 21552.1 Unique )
&rst
ixpk= 21552, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2137,2138,
igr2= 825, 826, 827,
&end
#
# 137 GLN QB 53 LEU HG 4.50 (# 21556.1 Unique; orig = 3.40 )
&rst
ixpk= 21556, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2137,2138,
&end
#
# 137 GLN QB 137 GLN HA 4.10 (# 21560.1 Unique )
&rst
ixpk= 21560, nxpk= 0, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=2137,2138,
&end
#
# 137 GLN QB 0 AMB m:21568 4.10 (# 21568.1 Single Ambig [MG2 138 MD2 53] )
&rst
ixpk= 21568, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=2137,2138,
igr2=2160,2161,2162, 825, 826, 827,
&end
#
# 15 ALA HA 18 GLN HN 4.10 (# 21573.1 Unique )
&rst
ixpk= 21573, nxpk= 0, iat= 248, 285, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 15 ALA HA 18 GLN QB 4.50 (# 21576.1 Unique )
&rst
ixpk= 21576, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 289, 290,
&end
#
# 2 MET QB 0 AMB m:21584 5.40 (# 21584.1 Single Ambig [HE 96 HE 3] )
&rst
ixpk= 21584, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 25, 26,
igr2=1504, 48, 52,
&end
#
# 10 ALA HA 0 AMB m:21593 3.40 (# 21593.1 Single Ambig [HN 13 HN 10] )
&rst
ixpk= 21593, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 211, 162,
&end
#
# 10 ALA HA 11 GLN HN 4.10 (# 21597.1 Unique )
&rst
ixpk= 21597, nxpk= 0, iat= 164, 172, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 10 ALA MB 13 VAL MG2 4.30 (# 21600.1 Unique )
&rst
ixpk= 21600, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 166, 167, 168,
igr2= 221, 222, 223,
&end
#
# 10 ALA MB 14 LEU MD1 4.70 (# 21603.1 Unique )
&rst
ixpk= 21603, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 166, 167, 168,
igr2= 236, 237, 238,
&end
#
# 10 ALA MB 13 VAL HB 6.00 (# 21610.1 Unique; orig = 5.00 )
&rst
ixpk= 21610, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 166, 167, 168,
&end
#
# 84 ALA MB 80 TYR HE 5.40 (# 21623.1 Unique )
&rst
ixpk= 21623, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1307,1308,1309,
igr2=1240,1245,
&end
#
# 10 ALA MB 9 ARG QB 6.00 (# 21626.1 Unique )
&rst
ixpk= 21626, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 166, 167, 168,
igr2= 142, 143,
&end
#
# 11 GLN HA 14 LEU MD1 3.30 (# 21630.1 Unique )
&rst
ixpk= 21630, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 236, 237, 238,
&end
#
# 11 GLN HA 14 LEU HN 4.10 (# 21637.1 Unique )
&rst
ixpk= 21637, nxpk= 0, iat= 174, 227, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 11 GLN HA 12 LYS HN 4.50 (# 21640.1 Unique )
&rst
ixpk= 21640, nxpk= 0, iat= 174, 189, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 GLN HA 13 VAL HN 4.60 (# 21643.1 Unique )
&rst
ixpk= 21643, nxpk= 0, iat= 174, 211, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 11 GLN QB 6 PHE QB 4.10 (# 21654.1 Unique )
&rst
ixpk= 21654, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 176, 177,
igr2= 93, 94,
&end
#
# 11 GLN QB 11 GLN QE2 3.40 (# 21663.1 Unique )
&rst
ixpk= 21663, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 176, 177,
igr2= 184, 185,
&end
#
# 11 GLN QB 11 GLN QE2 5.00 (# 21667.1 Unique )
&rst
ixpk= 21667, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 176, 177,
igr2= 184, 185,
&end
#
# 11 GLN QB 6 PHE HD 6.00 (# 21671.1 Unique )
&rst
ixpk= 21671, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 176, 177,
igr2= 97, 105,
&end
#
# 11 GLN QB 12 LYS HN 6.00 (# 21675.1 Unique )
&rst
ixpk= 21675, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 176, 177,
&end
#
# 87 VAL HB 88 ILE QG1 5.20 (# 21691.1 Unique )
&rst
ixpk= 21691, nxpk= 0, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1383,1384,
&end
#
# 0 AMB m:21695a 0 AMB m:21695b 3.10 (# 21695.1 Double Ambig [HB 13 HB 87] [HA 13 HA 87] )
&rst
ixpk= 21695, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 215,1361,
igr2= 213,1359,
&end
#
# 87 VAL HB 88 ILE HN 3.40 (# 21699.1 Unique )
&rst
ixpk= 21699, nxpk= 0, iat=1361,1373, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 13 VAL MG1 38 LEU QB 4.70 (# 21705.1 Unique )
&rst
ixpk= 21705, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 217, 218, 219,
igr2= 596, 597,
&end
#
# 13 VAL MG1 41 GLU QB 2.60 (# 21709.1 Unique )
&rst
ixpk= 21709, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 217, 218, 219,
igr2= 655, 656,
&end
#
# 13 VAL MG1 10 ALA MB 4.70 (# 21713.1 Unique )
&rst
ixpk= 21713, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 217, 218, 219,
igr2= 166, 167, 168,
&end
#
# 87 VAL MG2 31 THR HB 3.60 (# 21720.1 Unique )
&rst
ixpk= 21720, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1367,1368,1369,
&end
#
# 87 VAL MG2 31 THR HA 3.80 (# 21723.1 Unique )
&rst
ixpk= 21723, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1367,1368,1369,
&end
#
# 13 VAL MG1 38 LEU HN 5.20 (# 21726.1 Unique )
&rst
ixpk= 21726, nxpk= 0, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 217, 218, 219,
&end
#
# 13 VAL MG1 11 GLN HN 5.60 (# 21729.1 Unique )
&rst
ixpk= 21729, nxpk= 0, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 217, 218, 219,
&end
#
# 87 VAL MG2 112 LEU HN 5.60 (# 21732.1 Unique )
&rst
ixpk= 21732, nxpk= 0, iat= -1,1745, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1367,1368,1369,
&end
#
# 87 VAL MG2 88 ILE HN 5.20 (# 21735.1 Unique )
&rst
ixpk= 21735, nxpk= 0, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1367,1368,1369,
&end
#
# 13 VAL MG1 39 VAL HN 6.00 (# 21738.1 Unique )
&rst
ixpk= 21738, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 217, 218, 219,
&end
#
# 13 VAL MG2 16 LEU HN 6.00 (# 21744.1 Unique )
&rst
ixpk= 21744, nxpk= 0, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 221, 222, 223,
&end
#
# 13 VAL MG2 17 ALA HN 5.40 (# 21747.1 Unique )
&rst
ixpk= 21747, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 221, 222, 223,
&end
#
# 13 VAL MG2 37 GLY HN 5.00 (# 21750.1 Unique )
&rst
ixpk= 21750, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 221, 222, 223,
&end
#
# 13 VAL MG2 105 THR HB 6.00 (# 21756.1 Unique )
&rst
ixpk= 21756, nxpk= 0, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 221, 222, 223,
&end
#
# 13 VAL MG2 12 LYS HA 6.00 (# 21759.1 Unique )
&rst
ixpk= 21759, nxpk= 0, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 221, 222, 223,
&end
#
# 13 VAL MG2 17 ALA MB 4.10 (# 21765.1 Unique )
&rst
ixpk= 21765, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 221, 222, 223,
igr2= 279, 280, 281,
&end
#
# 13 VAL MG2 13 VAL HB 2.30 (# 21768.1 Unique )
&rst
ixpk= 21768, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1= 221, 222, 223,
&end
#
# 14 LEU HA 14 LEU HN 3.40 (# 21771.1 Unique )
&rst
ixpk= 21771, nxpk= 0, iat= 229, 227, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 0 AMB m:21797 17 ALA HN 3.80 (# 21797.1 Single Ambig [HA 16 HA 14] )
&rst
ixpk= 21797, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 258, 229,
&end
#
# 14 LEU HA 18 GLN HN 5.60 (# 21801.1 Unique )
&rst
ixpk= 21801, nxpk= 0, iat= 229, 285, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 14 LEU HG 14 LEU HA 4.50 (# 21818.1 Unique )
&rst
ixpk= 21818, nxpk= 0, iat= 234, 229, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 LEU MD2 6 PHE HD 4.60 (# 21821.1 Unique )
&rst
ixpk= 21821, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 240, 241, 242,
igr2= 97, 105,
&end
#
# 14 LEU MD2 80 TYR HE 3.90 (# 21824.1 Unique )
&rst
ixpk= 21824, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 240, 241, 242,
igr2=1240,1245,
&end
#
# 14 LEU MD2 80 TYR HD 6.00 (# 21827.1 Unique )
&rst
ixpk= 21827, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 240, 241, 242,
igr2=1238,1247,
&end
#
# 14 LEU MD2 15 ALA HN 6.00 (# 21833.1 Unique )
&rst
ixpk= 21833, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 240, 241, 242,
&end
#
# 14 LEU MD2 17 ALA MB 4.30 (# 21836.1 Unique )
&rst
ixpk= 21836, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 240, 241, 242,
igr2= 279, 280, 281,
&end
#
# 14 LEU MD2 13 VAL HB 5.60 (# 21839.1 Unique )
&rst
ixpk= 21839, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 240, 241, 242,
&end
#
# 14 LEU MD1 34 ILE QG1 5.80 (# 21842.1 Unique )
&rst
ixpk= 21842, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 236, 237, 238,
igr2= 538, 539,
&end
#
# 14 LEU MD1 88 ILE QG1 6.00 (# 21846.1 Unique )
&rst
ixpk= 21846, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 236, 237, 238,
igr2=1383,1384,
&end
#
# 14 LEU MD1 14 LEU HA 5.60 (# 21850.1 Unique )
&rst
ixpk= 21850, nxpk= 0, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 236, 237, 238,
&end
#
# 14 LEU MD1 15 ALA HN 6.00 (# 21853.1 Unique )
&rst
ixpk= 21853, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 236, 237, 238,
&end
#
# 14 LEU MD1 80 TYR HD 6.00 (# 21856.1 Unique )
&rst
ixpk= 21856, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 236, 237, 238,
igr2=1238,1247,
&end
#
# 15 ALA HA 14 LEU QB 5.40 (# 21862.1 Unique )
&rst
ixpk= 21862, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 231, 232,
&end
#
# 15 ALA HA 16 LEU HN 4.60 (# 21866.1 Unique )
&rst
ixpk= 21866, nxpk= 0, iat= 248, 256, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 16 LEU HA 19 GLU QG 6.00 (# 21873.1 Unique; orig = 4.10 )
&rst
ixpk= 21873, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 309, 310,
&end
#
# 16 LEU QB 37 GLY QA 4.10 (# 21881.1 Unique )
&rst
ixpk= 21881, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 260, 261,
igr2= 587, 588,
&end
#
# 53 LEU HG 53 LEU HA 4.10 (# 21897.1 Unique )
&rst
ixpk= 21897, nxpk= 0, iat= 819, 814, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 67 LEU MD1 126 ASN QD2 3.90 (# 21910.1 Unique )
&rst
ixpk= 21910, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1036,1037,1038,
igr2=1969,1970,
&end
#
# 16 LEU MD1 40 ARG QB 4.50 (# 21920.1 Unique; orig = 3.30 )
&rst
ixpk= 21920, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 265, 266, 267,
igr2= 631, 632,
&end
#
# 17 ALA HA 20 GLU QB 3.50 (# 21924.1 Unique )
&rst
ixpk= 21924, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 321, 322,
&end
#
# 17 ALA HA 20 GLU QG 4.50 (# 21928.1 Unique )
&rst
ixpk= 21928, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 324, 325,
&end
#
# 17 ALA HA 40 ARG QB 6.00 (# 21932.1 Unique; orig = 4.90 )
&rst
ixpk= 21932, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 631, 632,
&end
#
# 17 ALA HA 0 AMB m:21936 4.50 (# 21936.1 Single Ambig [HA 34 QA 37] )
&rst
ixpk= 21936, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 530, 587, 588,
&end
#
# 17 ALA HA 17 ALA HN 3.30 (# 21941.1 Unique )
&rst
ixpk= 21941, nxpk= 0, iat= 277, 275, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 17 ALA HA 18 GLN HN 4.50 (# 21947.1 Unique )
&rst
ixpk= 21947, nxpk= 0, iat= 277, 285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 ALA HA 16 LEU QB 5.40 (# 21953.1 Unique )
&rst
ixpk= 21953, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 260, 261,
&end
#
# 17 ALA MB 40 ARG QB 6.00 (# 21960.1 Unique; orig = 4.70 )
&rst
ixpk= 21960, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 279, 280, 281,
igr2= 631, 632,
&end
#
# 17 ALA MB 18 GLN HA 4.50 (# 21964.1 Unique )
&rst
ixpk= 21964, nxpk= 0, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 279, 280, 281,
&end
#
# 17 ALA MB 34 ILE HN 4.10 (# 21973.1 Unique )
&rst
ixpk= 21973, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 279, 280, 281,
&end
#
# 18 GLN HA 18 GLN HN 3.10 (# 21976.1 Unique )
&rst
ixpk= 21976, nxpk= 0, iat= 287, 285, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 18 GLN HA 29 ILE QG1 3.10 (# 21983.1 Unique )
&rst
ixpk= 21983, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 466, 467,
&end
#
# 18 GLN HA 19 GLU HN 4.10 (# 21990.1 Unique )
&rst
ixpk= 21990, nxpk= 0, iat= 287, 302, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 18 GLN HA 21 ALA HN 3.60 (# 21993.1 Unique )
&rst
ixpk= 21993, nxpk= 0, iat= 287, 332, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 18 GLN QB 19 GLU HN 4.80 (# 21996.1 Unique )
&rst
ixpk= 21996, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 289, 290,
&end
#
# 18 GLN QB 29 ILE QG1 6.00 (# 22004.1 Unique )
&rst
ixpk= 22004, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 289, 290,
igr2= 466, 467,
&end
#
# 18 GLN QB 22 LEU HG 5.20 (# 22009.1 Unique )
&rst
ixpk= 22009, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 289, 290,
&end
#
# 18 GLN QB 78 ILE QG1 6.00 (# 22013.1 Unique )
&rst
ixpk= 22013, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 289, 290,
igr2=1204,1205,
&end
#
# 18 GLN QB 0 AMB m:22030 6.00 (# 22030.1 Single Ambig [HN 21 HN 22] )
&rst
ixpk= 22030, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 289, 290,
igr2= 332, 342,
&end
#
# 19 GLU HA 19 GLU QB 2.60 (# 22047.1 Unique )
&rst
ixpk= 22047, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 306, 307,
&end
#
# 19 GLU QB 20 GLU HN 4.50 (# 22054.1 Unique; orig = 3.30 )
&rst
ixpk= 22054, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 306, 307,
&end
#
# 20 GLU QG 20 GLU HN 3.40 (# 22058.1 Unique )
&rst
ixpk= 22058, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 324, 325,
&end
#
# 20 GLU HA 20 GLU HN 3.40 (# 22062.1 Unique )
&rst
ixpk= 22062, nxpk= 0, iat= 319, 317, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 20 GLU QB 20 GLU HN 3.40 (# 22065.1 Unique )
&rst
ixpk= 22065, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 321, 322,
&end
#
# 21 ALA HA 0 AMB m:22069 3.30 (# 22069.1 Single Ambig [HN 21 HN 22] )
&rst
ixpk= 22069, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 332, 342,
&end
#
# 21 ALA HA 33 HIS QB 5.20 (# 22076.1 Unique )
&rst
ixpk= 22076, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 515, 516,
&end
#
# 21 ALA HA 24 LEU QB 4.30 (# 22080.1 Unique )
&rst
ixpk= 22080, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 389, 390,
&end
#
# 95 ALA HA 98 LEU QB 4.30 (# 22084.1 Unique )
&rst
ixpk= 22084, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1541,1542,
&end
#
# 95 ALA HA 100 HIS QB 4.30 (# 22088.1 Unique )
&rst
ixpk= 22088, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1567,1568,
&end
#
# 21 ALA MB 29 ILE HN 5.80 (# 22095.1 Unique )
&rst
ixpk= 22095, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 336, 337, 338,
&end
#
# 21 ALA MB 33 HIS HD2 4.10 (# 22101.1 Unique )
&rst
ixpk= 22101, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 336, 337, 338,
&end
#
# 21 ALA MB 33 HIS QB 4.30 (# 22108.1 Unique )
&rst
ixpk= 22108, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 336, 337, 338,
igr2= 515, 516,
&end
#
# 21 ALA MB 20 GLU HA 6.00 (# 22112.1 Unique )
&rst
ixpk= 22112, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 336, 337, 338,
&end
#
# 21 ALA MB 22 LEU HG 5.40 (# 22115.1 Unique )
&rst
ixpk= 22115, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 336, 337, 338,
&end
#
# 21 ALA MB 29 ILE MD 4.50 (# 22118.1 Unique )
&rst
ixpk= 22118, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 336, 337, 338,
igr2= 469, 470, 471,
&end
#
# 21 ALA MB 29 ILE QG1 3.30 (# 22121.1 Unique )
&rst
ixpk= 22121, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 336, 337, 338,
igr2= 466, 467,
&end
#
# 22 LEU HA 25 GLY HN 4.30 (# 22128.1 Unique )
&rst
ixpk= 22128, nxpk= 0, iat= 344, 404, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 22 LEU QB 22 LEU HA 3.40 (# 22131.1 Unique )
&rst
ixpk= 22131, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 346, 347,
&end
#
# 22 LEU QB 19 GLU HA 4.60 (# 22135.1 Unique )
&rst
ixpk= 22135, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 346, 347,
&end
#
# 22 LEU QB 23 ARG QB 5.20 (# 22147.1 Unique )
&rst
ixpk= 22147, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 346, 347,
igr2= 365, 366,
&end
#
# 22 LEU MD1 22 LEU HN 5.00 (# 22156.1 Unique )
&rst
ixpk= 22156, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 351, 352, 353,
&end
#
# 22 LEU MD1 23 ARG HN 5.40 (# 22159.1 Unique )
&rst
ixpk= 22159, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 351, 352, 353,
&end
#
# 22 LEU MD1 18 GLN QE2 4.50 (# 22162.1 Unique )
&rst
ixpk= 22162, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 351, 352, 353,
igr2= 297, 298,
&end
#
# 22 LEU MD1 0 AMB m:22165 5.40 (# 22165.1 Single Ambig [QE2 18 QD2 27] )
&rst
ixpk= 22165, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1= 351, 352, 353,
igr2= 297, 298, 437, 438,
&end
#
# 22 LEU MD2 22 LEU QB 2.80 (# 22169.1 Unique )
&rst
ixpk= 22169, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 355, 356, 357,
igr2= 346, 347,
&end
#
# 22 LEU MD2 76 GLN QB 5.80 (# 22177.1 Unique )
&rst
ixpk= 22177, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 355, 356, 357,
igr2=1167,1168,
&end
#
# 23 ARG QB 23 ARG HE 5.10 (# 22195.1 Unique )
&rst
ixpk= 22195, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 365, 366,
&end
#
# 23 ARG QB 23 ARG HN 5.80 (# 22213.1 Unique )
&rst
ixpk= 22213, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 365, 366,
&end
#
# 23 ARG QB 20 GLU HA 5.00 (# 22217.1 Unique )
&rst
ixpk= 22217, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 365, 366,
&end
#
# 23 ARG QB 23 ARG QB 3.90 (# 22231.1 Unique )
#This appears to be self-referential: ignoring
#
# 23 ARG QB 23 ARG QB 3.30 (# 22237.1 Unique )
#This appears to be self-referential: ignoring
#
# 98 LEU HA 98 LEU HN 3.60 (# 22249.1 Unique )
&rst
ixpk= 22249, nxpk= 0, iat=1539,1537, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 98 LEU HA 98 LEU HG 3.80 (# 22252.1 Unique )
&rst
ixpk= 22252, nxpk= 0, iat=1539,1544, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 24 LEU HA 24 LEU QB 3.40 (# 22255.1 Unique )
&rst
ixpk= 22255, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 389, 390,
&end
#
# 98 LEU HA 98 LEU QB 3.60 (# 22259.1 Unique )
&rst
ixpk= 22259, nxpk= 0, iat=1539, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1541,1542,
&end
#
# 26 HIS HA 26 HIS QB 3.10 (# 22283.1 Unique )
&rst
ixpk= 22283, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 415, 416,
&end
#
# 26 HIS HA 26 HIS HN 3.40 (# 22287.1 Unique )
&rst
ixpk= 22287, nxpk= 0, iat= 413, 411, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 26 HIS QB 21 ALA HA 4.50 (# 22302.1 Unique )
&rst
ixpk= 22302, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 415, 416,
&end
#
# 27 ASN QB 78 ILE MD 6.00 (# 22318.1 Unique )
&rst
ixpk= 22318, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 432, 433,
igr2=1207,1208,1209,
&end
#
# 27 ASN QB 73 GLU QG 6.00 (# 22322.1 Unique )
&rst
ixpk= 22322, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 432, 433,
igr2=1127,1128,
&end
#
# 27 ASN QB 0 AMB m:22327 6.00 (# 22327.1 Single Ambig [QB 74 QB 73] )
&rst
ixpk= 22327, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 432, 433,
igr2=1139,1140,1124,1125,
&end
#
# 28 ASN HA 28 ASN QB 3.00 (# 22336.1 Unique )
&rst
ixpk= 22336, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 446, 447,
&end
#
# 28 ASN QB 29 ILE HN 4.10 (# 22348.1 Unique )
&rst
ixpk= 22348, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 446, 447,
&end
#
# 28 ASN HA 0 AMB m:22352 4.90 (# 22352.1 Single Ambig [MG2 81 HB 29] )
&rst
ixpk= 22352, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1257,1258,1259, 460,
&end
#
# 28 ASN QB 80 TYR HA 6.00 (# 22365.1 Unique )
&rst
ixpk= 22365, nxpk= 0, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 446, 447,
&end
#
# 29 ILE MD 29 ILE HA 5.40 (# 22377.1 Unique )
&rst
ixpk= 22377, nxpk= 0, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 469, 470, 471,
&end
#
# 29 ILE HA 78 ILE MG2 6.00 (# 22384.1 Unique )
&rst
ixpk= 22384, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1200,1201,1202,
&end
#
# 29 ILE HA 29 ILE HB 4.10 (# 22390.1 Unique )
&rst
ixpk= 22390, nxpk= 0, iat= 458, 460, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 29 ILE HA 28 ASN HN 5.10 (# 22396.1 Unique )
&rst
ixpk= 22396, nxpk= 0, iat= 458, 442, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 29 ILE HB 78 ILE MG2 5.20 (# 22399.1 Unique )
&rst
ixpk= 22399, nxpk= 0, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1200,1201,1202,
&end
#
# 29 ILE HB 84 ALA MB 5.80 (# 22402.1 Unique )
&rst
ixpk= 22402, nxpk= 0, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1307,1308,1309,
&end
#
# 29 ILE HB 29 ILE QG1 3.60 (# 22405.1 Unique )
&rst
ixpk= 22405, nxpk= 0, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 466, 467,
&end
#
# 29 ILE HB 28 ASN HA 6.00 (# 22409.1 Unique )
&rst
ixpk= 22409, nxpk= 0, iat= 460, 444, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 ILE HB 0 AMB m:22412 6.00 (# 22412.1 Single Ambig [HN 81 HN 80] )
&rst
ixpk= 22412, nxpk= 0, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1251,1230,
&end
#
# 29 ILE HB 29 ILE HN 3.30 (# 22416.1 Unique )
&rst
ixpk= 22416, nxpk= 0, iat= 460, 456, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 29 ILE HB 80 TYR HD 4.30 (# 22419.1 Unique )
&rst
ixpk= 22419, nxpk= 0, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1238,1247,
&end
#
# 29 ILE QG1 17 ALA MB 4.70 (# 22429.1 Unique )
&rst
ixpk= 22429, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 466, 467,
igr2= 279, 280, 281,
&end
#
# 29 ILE QG1 80 TYR HA 6.00 (# 22433.1 Unique )
&rst
ixpk= 22433, nxpk= 0, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 466, 467,
&end
#
# 29 ILE MD 78 ILE HB 6.00 (# 22449.1 Unique )
&rst
ixpk= 22449, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 469, 470, 471,
&end
#
# 29 ILE MD 14 LEU QB 5.20 (# 22452.1 Unique )
&rst
ixpk= 22452, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 469, 470, 471,
igr2= 231, 232,
&end
#
# 29 ILE MD 33 HIS QB 6.00 (# 22456.1 Unique )
&rst
ixpk= 22456, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 469, 470, 471,
igr2= 515, 516,
&end
#
# 29 ILE MD 14 LEU HA 5.00 (# 22460.1 Unique )
&rst
ixpk= 22460, nxpk= 0, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 469, 470, 471,
&end
#
# 29 ILE MD 80 TYR HA 6.00 (# 22463.1 Unique )
&rst
ixpk= 22463, nxpk= 0, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 469, 470, 471,
&end
#
# 29 ILE MD 29 ILE HN 5.60 (# 22472.1 Unique )
&rst
ixpk= 22472, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 469, 470, 471,
&end
#
# 29 ILE MD 19 GLU HN 6.00 (# 22475.1 Unique )
&rst
ixpk= 22475, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 469, 470, 471,
&end
#
# 29 ILE MD 21 ALA HN 6.00 (# 22478.1 Unique )
&rst
ixpk= 22478, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 469, 470, 471,
&end
#
# 29 ILE MD 18 GLN QE2 6.00 (# 22484.1 Unique )
&rst
ixpk= 22484, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 469, 470, 471,
igr2= 297, 298,
&end
#
# 29 ILE MD 80 TYR HD 4.60 (# 22487.1 Unique )
&rst
ixpk= 22487, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 469, 470, 471,
igr2=1238,1247,
&end
#
# 29 ILE MG2 21 ALA HN 6.00 (# 22496.1 Unique )
&rst
ixpk= 22496, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 462, 463, 464,
&end
#
# 29 ILE MG2 80 TYR HD 3.40 (# 22505.1 Unique )
&rst
ixpk= 22505, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 462, 463, 464,
igr2=1238,1247,
&end
#
# 29 ILE MG2 80 TYR HE 3.60 (# 22508.1 Unique )
&rst
ixpk= 22508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 462, 463, 464,
igr2=1240,1245,
&end
#
# 29 ILE MG2 34 ILE QG1 3.30 (# 22511.1 Unique )
&rst
ixpk= 22511, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 462, 463, 464,
igr2= 538, 539,
&end
#
# 29 ILE MG2 84 ALA MB 3.60 (# 22515.1 Unique )
&rst
ixpk= 22515, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 462, 463, 464,
igr2=1307,1308,1309,
&end
#
# 29 ILE MG2 33 HIS HA 6.00 (# 22518.1 Unique )
&rst
ixpk= 22518, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 462, 463, 464,
&end
#
# 29 ILE MG2 18 GLN HA 6.00 (# 22521.1 Unique )
&rst
ixpk= 22521, nxpk= 0, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 462, 463, 464,
&end
#
# 32 GLU HA 33 HIS HN 4.60 (# 22542.1 Unique )
&rst
ixpk= 22542, nxpk= 0, iat= 498, 511, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 32 GLU HA 0 AMB m:22545 3.60 (# 22545.1 Single Ambig [HN 120 HN 35] )
&rst
ixpk= 22545, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1867, 547,
&end
#
# 32 GLU QG 68 ILE MG2 3.10 (# 22565.1 Unique )
&rst
ixpk= 22565, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 503, 504,
igr2=1052,1053,1054,
&end
#
# 32 GLU QG 32 GLU HA 5.40 (# 22569.1 Unique )
&rst
ixpk= 22569, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 503, 504,
&end
#
# 33 HIS HA 36 LEU HN 4.50 (# 22577.1 Unique )
&rst
ixpk= 22577, nxpk= 0, iat= 513, 566, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 HIS HA 33 HIS HD2 3.40 (# 22583.1 Unique )
&rst
ixpk= 22583, nxpk= 0, iat= 513, 524, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 107 HIS QB 91 SER QB 3.80 (# 22592.1 Unique )
&rst
ixpk= 22592, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1668,1669,
igr2=1430,1431,
&end
#
# 107 HIS QB 103 VAL HA 4.50 (# 22605.1 Unique )
&rst
ixpk= 22605, nxpk= 0, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1668,1669,
&end
#
# 33 HIS QB 29 ILE HA 4.10 (# 22609.1 Unique )
&rst
ixpk= 22609, nxpk= 0, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 515, 516,
&end
#
# 36 LEU HA 36 LEU HN 3.40 (# 22613.1 Unique )
&rst
ixpk= 22613, nxpk= 0, iat= 568, 566, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 36 LEU QB 0 AMB m:22624 3.40 (# 22624.1 Single Ambig [MD2 36 MD1 36] )
&rst
ixpk= 22624, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 570, 571,
igr2= 579, 580, 581, 575, 576, 577,
&end
#
# 36 LEU QB 20 GLU QG 4.10 (# 22632.1 Unique )
&rst
ixpk= 22632, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 570, 571,
igr2= 324, 325,
&end
#
# 35 LEU HG 35 LEU QB 3.30 (# 22643.1 Unique )
&rst
ixpk= 22643, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 551, 552,
&end
#
# 16 LEU MD1 41 GLU HN 4.30 (# 22647.1 Unique )
&rst
ixpk= 22647, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 265, 266, 267,
&end
#
# 36 LEU HA 39 VAL HN 4.10 (# 22657.1 Unique )
&rst
ixpk= 22657, nxpk= 0, iat= 568, 611, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 36 LEU HA 35 LEU HN 6.00 (# 22663.1 Unique; orig = 4.90 )
&rst
ixpk= 22663, nxpk= 0, iat= 568, 547, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 35 LEU HG 35 LEU HA 4.10 (# 22666.1 Unique )
&rst
ixpk= 22666, nxpk= 0, iat= 554, 549, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 139 LEU MD1 135 ARG QB 4.10 (# 22682.1 Unique )
&rst
ixpk= 22682, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=2175,2176,2177,
igr2=2096,2097,
&end
#
# 36 LEU MD2 20 GLU QG 4.00 (# 22690.1 Unique )
&rst
ixpk= 22690, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 579, 580, 581,
igr2= 324, 325,
&end
#
# 0 AMB m:22694 65 GLU QG 4.80 (# 22694.1 Single Ambig [MD2 36 MD1 36] )
&rst
ixpk= 22694, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr1= 579, 580, 581, 575, 576, 577,
igr2=1008,1009,
&end
#
# 38 LEU MD2 38 LEU HN 5.20 (# 22705.1 Unique )
&rst
ixpk= 22705, nxpk= 0, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 605, 606, 607,
&end
#
# 38 LEU HA 13 VAL HB 3.90 (# 22711.1 Unique )
&rst
ixpk= 22711, nxpk= 0, iat= 594, 215, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 38 LEU QB 38 LEU HA 3.60 (# 22722.1 Unique )
&rst
ixpk= 22722, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 596, 597,
&end
#
# 38 LEU QB 38 LEU HG 3.30 (# 22726.1 Unique )
&rst
ixpk= 22726, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 596, 597,
&end
#
# 38 LEU QB 46 ALA MB 4.60 (# 22730.1 Unique )
&rst
ixpk= 22730, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 596, 597,
igr2= 718, 719, 720,
&end
#
# 38 LEU HG 35 LEU HA 6.00 (# 22740.1 Unique )
&rst
ixpk= 22740, nxpk= 0, iat= 599, 549, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 LEU MD2 109 LEU HN 4.50 (# 22743.1 Unique )
&rst
ixpk= 22743, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 605, 606, 607,
&end
#
# 38 LEU MD2 105 THR HB 3.10 (# 22746.1 Unique )
&rst
ixpk= 22746, nxpk= 0, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 605, 606, 607,
&end
#
# 38 LEU MD2 38 LEU QB 2.80 (# 22749.1 Unique )
&rst
ixpk= 22749, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 605, 606, 607,
igr2= 596, 597,
&end
#
# 38 LEU MD1 109 LEU HN 3.90 (# 22753.1 Unique )
&rst
ixpk= 22753, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 601, 602, 603,
&end
#
# 38 LEU MD1 39 VAL HN 6.00 (# 22756.1 Unique )
&rst
ixpk= 22756, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 601, 602, 603,
&end
#
# 38 LEU MD1 108 ILE HN 6.00 (# 22759.1 Unique )
&rst
ixpk= 22759, nxpk= 0, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 601, 602, 603,
&end
#
# 38 LEU MD1 105 THR HB 4.70 (# 22762.1 Unique )
&rst
ixpk= 22762, nxpk= 0, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 601, 602, 603,
&end
#
# 38 LEU MD1 38 LEU HA 4.50 (# 22765.1 Unique )
&rst
ixpk= 22765, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 601, 602, 603,
&end
#
# 39 VAL HA 50 LEU MD1 4.20 (# 22772.1 Unique )
&rst
ixpk= 22772, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 775, 776, 777,
&end
#
# 39 VAL HA 47 ALA MB 3.30 (# 22775.1 Unique )
&rst
ixpk= 22775, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 728, 729, 730,
&end
#
# 39 VAL HA 38 LEU QB 4.80 (# 22778.1 Unique )
&rst
ixpk= 22778, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 596, 597,
&end
#
# 39 VAL HA 50 LEU QB 5.40 (# 22782.1 Unique )
&rst
ixpk= 22782, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 770, 771,
&end
#
# 39 VAL HA 40 ARG HN 3.90 (# 22786.1 Unique )
&rst
ixpk= 22786, nxpk= 0, iat= 613, 627, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 39 VAL HA 41 GLU HN 5.20 (# 22789.1 Unique )
&rst
ixpk= 22789, nxpk= 0, iat= 613, 651, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 39 VAL HA 47 ALA HN 6.00 (# 22792.1 Unique )
&rst
ixpk= 22792, nxpk= 0, iat= 613, 724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 VAL HA 42 GLY HN 5.00 (# 22795.1 Unique )
&rst
ixpk= 22795, nxpk= 0, iat= 613, 666, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 VAL MG1 58 GLU HN 6.00 (# 22801.1 Unique )
&rst
ixpk= 22801, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 617, 618, 619,
&end
#
# 39 VAL MG1 40 ARG HN 6.00 (# 22807.1 Unique; orig = 4.10 )
&rst
ixpk= 22807, nxpk= 0, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 617, 618, 619,
&end
#
# 39 VAL MG1 41 GLU HN 5.40 (# 22813.1 Unique )
&rst
ixpk= 22813, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 617, 618, 619,
&end
#
# 39 VAL MG1 47 ALA HN 6.00 (# 22816.1 Unique )
&rst
ixpk= 22816, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 617, 618, 619,
&end
#
# 39 VAL MG1 36 LEU HA 6.00 (# 22819.1 Unique; orig = 4.50 )
&rst
ixpk= 22819, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 617, 618, 619,
&end
#
# 39 VAL MG1 60 ILE HA 6.00 (# 22822.1 Unique )
&rst
ixpk= 22822, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 617, 618, 619,
&end
#
# 39 VAL MG1 50 LEU QB 3.60 (# 22825.1 Unique )
&rst
ixpk= 22825, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 617, 618, 619,
igr2= 770, 771,
&end
#
# 39 VAL MG1 60 ILE HB 3.40 (# 22829.1 Unique )
&rst
ixpk= 22829, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 617, 618, 619,
&end
#
# 39 VAL MG1 60 ILE QG1 5.00 (# 22832.1 Unique )
&rst
ixpk= 22832, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 617, 618, 619,
igr2= 922, 923,
&end
#
# 39 VAL MG1 47 ALA MB 4.30 (# 22836.1 Unique )
&rst
ixpk= 22836, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 617, 618, 619,
igr2= 728, 729, 730,
&end
#
# 39 VAL MG2 61 GLN HN 5.00 (# 22843.1 Unique )
&rst
ixpk= 22843, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 621, 622, 623,
&end
#
# 39 VAL MG2 40 ARG HN 4.10 (# 22849.1 Unique )
&rst
ixpk= 22849, nxpk= 0, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 621, 622, 623,
&end
#
# 39 VAL MG2 60 ILE HN 6.00 (# 22852.1 Unique )
&rst
ixpk= 22852, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
&end
#
# 39 VAL MG2 61 GLN QE2 4.80 (# 22855.1 Unique )
&rst
ixpk= 22855, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 621, 622, 623,
igr2= 943, 944,
&end
#
# 39 VAL MG2 61 GLN QB 4.80 (# 22861.1 Unique )
&rst
ixpk= 22861, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 621, 622, 623,
igr2= 935, 936,
&end
#
# 40 ARG HA 57 SER QB 4.50 (# 22869.1 Unique )
&rst
ixpk= 22869, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 868, 869,
&end
#
# 40 ARG QB 41 GLU HN 4.70 (# 22873.1 Unique )
&rst
ixpk= 22873, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 631, 632,
&end
#
# 40 ARG QB 40 ARG QB 3.90 (# 22877.1 Unique )
#This appears to be self-referential: ignoring
#
# 40 ARG QB 20 GLU QG 5.40 (# 22914.1 Unique )
&rst
ixpk= 22914, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 631, 632,
igr2= 324, 325,
&end
#
# 40 ARG QB 16 LEU QB 4.70 (# 22920.1 Unique )
&rst
ixpk= 22920, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 631, 632,
igr2= 260, 261,
&end
#
# 41 GLU HA 41 GLU HN 3.30 (# 22925.1 Unique )
&rst
ixpk= 22925, nxpk= 0, iat= 653, 651, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 41 GLU HA 42 GLY HN 4.10 (# 22928.1 Unique )
&rst
ixpk= 22928, nxpk= 0, iat= 653, 666, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 63 GLU QG 59 LYS QB 6.00 (# 22939.1 Unique )
&rst
ixpk= 22939, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 977, 978,
igr2= 894, 895,
&end
#
# 115 GLU QG 83 ARG QB 5.20 (# 22945.1 Unique )
&rst
ixpk= 22945, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1814,1815,
igr2=1283,1284,
&end
#
# 115 GLU QG 86 LYS QB 5.20 (# 22949.1 Unique )
&rst
ixpk= 22949, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1814,1815,
igr2=1339,1340,
&end
#
# 43 GLU HA 43 GLU QB 2.80 (# 22954.1 Unique )
&rst
ixpk= 22954, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 677, 678,
&end
#
# 43 GLU HA 47 ALA MB 4.50 (# 22958.1 Unique; orig = 4.00 )
&rst
ixpk= 22958, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 728, 729, 730,
&end
#
# 43 GLU HA 48 LYS QB 4.50 (# 22961.1 Unique; orig = 3.80 )
&rst
ixpk= 22961, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 738, 739,
&end
#
# 43 GLU HA 43 GLU HN 3.40 (# 22965.1 Unique )
&rst
ixpk= 22965, nxpk= 0, iat= 675, 673, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 43 GLU QB 43 GLU QG 2.80 (# 22972.1 Unique )
&rst
ixpk= 22972, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 677, 678,
igr2= 680, 681,
&end
#
# 58 GLU QG 62 LYS QB 5.60 (# 22986.1 Unique )
&rst
ixpk= 22986, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 882, 883,
igr2= 952, 953,
&end
#
# 45 ILE HA 45 ILE HN 3.80 (# 22991.1 Unique )
&rst
ixpk= 22991, nxpk= 0, iat= 697, 695, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 45 ILE HA 48 LYS HN 4.00 (# 22994.1 Unique )
&rst
ixpk= 22994, nxpk= 0, iat= 697, 734, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 45 ILE MG2 45 ILE HN 5.10 (# 23000.1 Unique )
&rst
ixpk= 23000, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 701, 702, 703,
&end
#
# 45 ILE HA 48 LYS QB 5.80 (# 23011.1 Unique )
&rst
ixpk= 23011, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 738, 739,
&end
#
# 45 ILE HA 49 ALA HN 4.80 (# 23015.1 Unique )
&rst
ixpk= 23015, nxpk= 0, iat= 697, 756, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 45 ILE HB 9 ARG QB 6.00 (# 23021.1 Unique )
&rst
ixpk= 23021, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 142, 143,
&end
#
# 45 ILE HB 45 ILE HA 4.10 (# 23025.1 Unique )
&rst
ixpk= 23025, nxpk= 0, iat= 699, 697, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 45 ILE MG2 0 AMB m:23031 6.00 (# 23031.1 Single Ambig [HN 138 HN 139] )
&rst
ixpk= 23031, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 701, 702, 703,
igr2=2150,2166,
&end
#
# 45 ILE MG2 48 LYS HN 5.40 (# 23035.1 Unique )
&rst
ixpk= 23035, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 701, 702, 703,
&end
#
# 45 ILE MG2 46 ALA HN 4.10 (# 23038.1 Unique )
&rst
ixpk= 23038, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 701, 702, 703,
&end
#
# 45 ILE MG2 141 LEU HN 5.00 (# 23041.1 Unique )
&rst
ixpk= 23041, nxpk= 0, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 701, 702, 703,
&end
#
# 45 ILE MG2 47 ALA HN 6.00 (# 23044.1 Unique )
&rst
ixpk= 23044, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 701, 702, 703,
&end
#
# 45 ILE MG2 139 LEU HA 6.00 (# 23050.1 Unique )
&rst
ixpk= 23050, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 701, 702, 703,
&end
#
# 45 ILE MG2 106 GLU HA 4.10 (# 23053.1 Unique )
&rst
ixpk= 23053, nxpk= 0, iat= -1,1651, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 701, 702, 703,
&end
#
# 45 ILE MG2 138 VAL HA 3.10 (# 23056.1 Unique )
&rst
ixpk= 23056, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 701, 702, 703,
&end
#
# 45 ILE MG2 138 VAL HB 5.20 (# 23059.1 Unique )
&rst
ixpk= 23059, nxpk= 0, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 701, 702, 703,
&end
#
# 45 ILE MG2 49 ALA MB 3.30 (# 23062.1 Unique )
&rst
ixpk= 23062, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 701, 702, 703,
igr2= 760, 761, 762,
&end
#
# 45 ILE MD 44 GLY QA 5.80 (# 23068.1 Unique )
&rst
ixpk= 23068, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 708, 709, 710,
igr2= 690, 691,
&end
#
# 45 ILE MD 46 ALA HA 6.00 (# 23072.1 Unique )
&rst
ixpk= 23072, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 708, 709, 710,
&end
#
# 45 ILE MD 142 LEU QB 5.10 (# 23079.1 Unique )
&rst
ixpk= 23079, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 708, 709, 710,
igr2=2225,2226,
&end
#
# 45 ILE MD 46 ALA MB 6.00 (# 23083.1 Unique )
&rst
ixpk= 23083, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 708, 709, 710,
igr2= 718, 719, 720,
&end
#
# 45 ILE MD 106 GLU QG 6.00 (# 23086.1 Unique )
&rst
ixpk= 23086, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 708, 709, 710,
igr2=1656,1657,
&end
#
# 45 ILE MD 49 ALA HN 6.00 (# 23090.1 Unique )
&rst
ixpk= 23090, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 708, 709, 710,
&end
#
# 45 ILE MD 45 ILE HN 5.20 (# 23093.1 Unique )
&rst
ixpk= 23093, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 708, 709, 710,
&end
#
# 46 ALA MB 0 AMB m:23096 6.00 (# 23096.1 Single Ambig [HA 38 QA 44] )
&rst
ixpk= 23096, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 718, 719, 720,
igr2= 594, 690, 691,
&end
#
# 46 ALA MB 38 LEU HG 5.20 (# 23104.1 Unique )
&rst
ixpk= 23104, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 718, 719, 720,
&end
#
# 46 ALA MB 0 AMB m:23107 5.80 (# 23107.1 Single Ambig [QG1 108 MG2 39] )
&rst
ixpk= 23107, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.11, r4= 9.61,
igr1= 718, 719, 720,
igr2=1691,1692, 621, 622, 623,
&end
#
# 46 ALA MB 105 THR HN 6.00 (# 23115.1 Unique )
&rst
ixpk= 23115, nxpk= 0, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 718, 719, 720,
&end
#
# 46 ALA MB 45 ILE HN 6.00 (# 23118.1 Unique )
&rst
ixpk= 23118, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 718, 719, 720,
&end
#
# 46 ALA HA 49 ALA HN 4.10 (# 23121.1 Unique )
&rst
ixpk= 23121, nxpk= 0, iat= 716, 756, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 46 ALA HA 46 ALA HN 3.10 (# 23124.1 Unique )
&rst
ixpk= 23124, nxpk= 0, iat= 716, 714, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 121 ALA HA 124 LEU QB 3.50 (# 23127.1 Unique )
&rst
ixpk= 23127, nxpk= 0, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1931,1932,
&end
#
# 46 ALA HA 105 THR HB 6.00 (# 23131.1 Unique )
&rst
ixpk= 23131, nxpk= 0, iat= 716,1639, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 ALA MB 49 ALA HN 5.60 (# 23134.1 Unique )
&rst
ixpk= 23134, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 728, 729, 730,
&end
#
# 121 ALA MB 125 ASN QD2 4.30 (# 23137.1 Unique )
&rst
ixpk= 23137, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1881,1882,1883,
igr2=1955,1956,
&end
#
# 47 ALA MB 44 GLY HN 4.90 (# 23140.1 Unique )
&rst
ixpk= 23140, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 728, 729, 730,
&end
#
# 47 ALA MB 43 GLU HN 3.90 (# 23143.1 Unique )
&rst
ixpk= 23143, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 728, 729, 730,
&end
#
# 47 ALA MB 51 GLN QE2 4.10 (# 23146.1 Unique )
&rst
ixpk= 23146, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 728, 729, 730,
igr2= 797, 798,
&end
#
# 47 ALA MB 50 LEU MD1 4.70 (# 23149.1 Unique )
&rst
ixpk= 23149, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 728, 729, 730,
igr2= 775, 776, 777,
&end
#
# 48 LYS QB 48 LYS HN 5.40 (# 23152.1 Unique )
&rst
ixpk= 23152, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 738, 739,
&end
#
# 48 LYS QB 48 LYS HA 3.60 (# 23156.1 Unique )
&rst
ixpk= 23156, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 738, 739,
&end
#
# 48 LYS QB 48 LYS HN 4.30 (# 23166.1 Unique )
&rst
ixpk= 23166, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 738, 739,
&end
#
# 49 ALA HA 49 ALA HN 3.30 (# 23174.1 Unique )
&rst
ixpk= 23174, nxpk= 0, iat= 758, 756, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 49 ALA MB 48 LYS HN 5.20 (# 23180.1 Unique )
&rst
ixpk= 23180, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 760, 761, 762,
&end
#
# 49 ALA HA 52 ALA HN 4.10 (# 23183.1 Unique )
&rst
ixpk= 23183, nxpk= 0, iat= 758, 802, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 49 ALA HA 137 GLN QB 3.30 (# 23189.1 Unique )
&rst
ixpk= 23189, nxpk= 0, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=2137,2138,
&end
#
# 49 ALA MB 137 GLN QE2 5.80 (# 23193.1 Unique )
&rst
ixpk= 23193, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 760, 761, 762,
igr2=2145,2146,
&end
#
# 49 ALA MB 53 LEU HN 6.00 (# 23196.1 Unique )
&rst
ixpk= 23196, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 760, 761, 762,
&end
#
# 49 ALA MB 141 LEU HN 6.00 (# 23199.1 Unique )
&rst
ixpk= 23199, nxpk= 0, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 760, 761, 762,
&end
#
# 49 ALA MB 137 GLN QE2 6.00 (# 23202.1 Unique )
&rst
ixpk= 23202, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 760, 761, 762,
igr2=2145,2146,
&end
#
# 49 ALA MB 138 VAL HA 3.30 (# 23205.1 Unique )
&rst
ixpk= 23205, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 760, 761, 762,
&end
#
# 49 ALA MB 45 ILE HA 5.00 (# 23208.1 Unique )
&rst
ixpk= 23208, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 760, 761, 762,
&end
#
# 49 ALA MB 137 GLN HA 6.00 (# 23211.1 Unique )
&rst
ixpk= 23211, nxpk= 0, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 760, 761, 762,
&end
#
# 49 ALA MB 137 GLN QB 4.90 (# 23214.1 Unique )
&rst
ixpk= 23214, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 760, 761, 762,
igr2=2137,2138,
&end
#
# 49 ALA MB 50 LEU MD1 4.70 (# 23222.1 Unique )
&rst
ixpk= 23222, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 760, 761, 762,
igr2= 775, 776, 777,
&end
#
# 50 LEU QB 51 GLN HN 3.60 (# 23229.1 Unique )
&rst
ixpk= 23229, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 770, 771,
&end
#
# 50 LEU QB 50 LEU HG 3.30 (# 23233.1 Unique )
&rst
ixpk= 23233, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 770, 771,
&end
#
# 50 LEU QB 0 AMB m:23237 3.30 (# 23237.1 Single Ambig [MD1 50 MD2 50] )
&rst
ixpk= 23237, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 770, 771,
igr2= 775, 776, 777, 779, 780, 781,
&end
#
# 50 LEU QB 55 LEU QB 3.80 (# 23242.1 Unique )
&rst
ixpk= 23242, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 770, 771,
igr2= 842, 843,
&end
#
# 110 LEU QB 110 LEU HG 3.30 (# 23247.1 Unique )
&rst
ixpk= 23247, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1723,1724,
&end
#
# 110 LEU MD2 111 GLY HN 6.00 (# 23255.1 Unique )
&rst
ixpk= 23255, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1732,1733,1734,
&end
#
# 50 LEU MD2 124 LEU HG 4.50 (# 23258.1 Unique )
&rst
ixpk= 23258, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 779, 780, 781,
&end
#
# 50 LEU MD2 55 LEU QB 5.00 (# 23261.1 Unique )
&rst
ixpk= 23261, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 779, 780, 781,
igr2= 842, 843,
&end
#
# 50 LEU MD2 124 LEU QB 5.20 (# 23265.1 Unique )
&rst
ixpk= 23265, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 779, 780, 781,
igr2=1931,1932,
&end
#
# 52 ALA HA 53 LEU HN 4.10 (# 23269.1 Unique )
&rst
ixpk= 23269, nxpk= 0, iat= 804, 812, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 52 ALA HA 54 GLY HN 4.20 (# 23272.1 Unique )
&rst
ixpk= 23272, nxpk= 0, iat= 804, 831, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 52 ALA HA 55 LEU HN 5.80 (# 23275.1 Unique )
&rst
ixpk= 23275, nxpk= 0, iat= 804, 838, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 52 ALA MB 137 GLN QE2 3.80 (# 23286.1 Unique )
&rst
ixpk= 23286, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 806, 807, 808,
igr2=2145,2146,
&end
#
# 52 ALA MB 137 GLN QE2 3.60 (# 23289.1 Unique )
&rst
ixpk= 23289, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 806, 807, 808,
igr2=2145,2146,
&end
#
# 121 ALA MB 123 VAL HN 5.80 (# 23292.1 Unique )
&rst
ixpk= 23292, nxpk= 0, iat= -1,1911, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1881,1882,1883,
&end
#
# 53 LEU HA 53 LEU HN 3.60 (# 23295.1 Unique )
&rst
ixpk= 23295, nxpk= 0, iat= 814, 812, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 53 LEU QB 55 LEU HN 5.80 (# 23315.1 Unique )
&rst
ixpk= 23315, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 816, 817,
&end
#
# 53 LEU QB 50 LEU HA 4.10 (# 23319.1 Unique )
&rst
ixpk= 23319, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 816, 817,
&end
#
# 36 LEU HG 40 ARG QB 5.00 (# 23327.1 Unique )
&rst
ixpk= 23327, nxpk= 0, iat= 573, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 631, 632,
&end
#
# 53 LEU MD1 53 LEU HN 4.10 (# 23331.1 Unique )
&rst
ixpk= 23331, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 821, 822, 823,
&end
#
# 53 LEU MD1 55 LEU HN 6.00 (# 23337.1 Unique )
&rst
ixpk= 23337, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 821, 822, 823,
&end
#
# 53 LEU MD1 137 GLN HA 6.00 (# 23340.1 Unique )
&rst
ixpk= 23340, nxpk= 0, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 821, 822, 823,
&end
#
# 53 LEU MD1 133 LYS QB 6.00 (# 23343.1 Unique )
&rst
ixpk= 23343, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 821, 822, 823,
igr2=2064,2065,
&end
#
# 53 LEU MD1 137 GLN QB 3.60 (# 23347.1 Unique )
&rst
ixpk= 23347, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 821, 822, 823,
igr2=2137,2138,
&end
#
# 55 LEU MD1 55 LEU HA 6.00 (# 23359.1 Unique )
&rst
ixpk= 23359, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 847, 848, 849,
&end
#
# 55 LEU HA 55 LEU HG 4.00 (# 23366.1 Unique )
&rst
ixpk= 23366, nxpk= 0, iat= 840, 845, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 55 LEU HA 55 LEU HN 3.50 (# 23369.1 Unique )
&rst
ixpk= 23369, nxpk= 0, iat= 840, 838, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 LEU QB 60 ILE HB 6.00 (# 23376.1 Unique )
&rst
ixpk= 23376, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 842, 843,
&end
#
# 55 LEU MD2 55 LEU HN 4.10 (# 23385.1 Unique )
&rst
ixpk= 23385, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 851, 852, 853,
&end
#
# 55 LEU MD2 129 VAL HN 6.00 (# 23391.1 Unique )
&rst
ixpk= 23391, nxpk= 0, iat= -1,2000, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 851, 852, 853,
&end
#
# 55 LEU MD2 127 LEU HA 6.00 (# 23398.1 Unique )
&rst
ixpk= 23398, nxpk= 0, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 851, 852, 853,
&end
#
# 55 LEU MD2 55 LEU QB 3.40 (# 23401.1 Unique )
&rst
ixpk= 23401, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 851, 852, 853,
igr2= 842, 843,
&end
#
# 55 LEU MD1 55 LEU HN 4.80 (# 23405.1 Unique )
&rst
ixpk= 23405, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 847, 848, 849,
&end
#
# 55 LEU MD1 129 VAL HN 6.00 (# 23408.1 Unique )
&rst
ixpk= 23408, nxpk= 0, iat= -1,2000, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 847, 848, 849,
&end
#
# 55 LEU MD1 53 LEU HN 6.00 (# 23411.1 Unique )
&rst
ixpk= 23411, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 847, 848, 849,
&end
#
# 55 LEU MD1 127 LEU HA 6.00 (# 23414.1 Unique )
&rst
ixpk= 23414, nxpk= 0, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 847, 848, 849,
&end
#
# 55 LEU MD1 127 LEU QB 4.50 (# 23417.1 Unique; orig = 3.30 )
&rst
ixpk= 23417, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 847, 848, 849,
igr2=1978,1979,
&end
#
# 58 GLU QG 58 GLU HN 3.90 (# 23430.1 Unique )
&rst
ixpk= 23430, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 882, 883,
&end
#
# 58 GLU HA 61 GLN HN 3.80 (# 23434.1 Unique )
&rst
ixpk= 23434, nxpk= 0, iat= 877, 931, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 58 GLU HA 62 LYS HN 3.80 (# 23437.1 Unique )
&rst
ixpk= 23437, nxpk= 0, iat= 877, 948, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 58 GLU HA 0 AMB m:23440 3.80 (# 23440.1 Single Ambig [HN 59 HN 60] )
&rst
ixpk= 23440, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 890, 912,
&end
#
# 58 GLU HA 61 GLN QB 2.90 (# 23444.1 Unique )
&rst
ixpk= 23444, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 935, 936,
&end
#
# 58 GLU HA 58 GLU QG 3.80 (# 23448.1 Unique )
&rst
ixpk= 23448, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 882, 883,
&end
#
# 58 GLU QB 59 LYS HN 4.30 (# 23452.1 Unique )
&rst
ixpk= 23452, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 879, 880,
&end
#
# 59 LYS QB 0 AMB m:23460 4.50 (# 23460.1 Single Ambig [HN 59 HN 60] )
&rst
ixpk= 23460, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 894, 895,
igr2= 890, 912,
&end
#
# 96 ARG QB 96 ARG HA 3.30 (# 23469.1 Unique )
&rst
ixpk= 23469, nxpk= 0, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1495,1496,
&end
#
# 60 ILE HA 60 ILE HN 3.40 (# 23473.1 Unique )
&rst
ixpk= 23473, nxpk= 0, iat= 914, 912, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 60 ILE HA 61 GLN HN 4.50 (# 23486.1 Unique )
&rst
ixpk= 23486, nxpk= 0, iat= 914, 931, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 ILE HA 63 GLU HN 4.10 (# 23495.1 Unique )
&rst
ixpk= 23495, nxpk= 0, iat= 914, 970, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 60 ILE HA 59 LYS HA 5.30 (# 23498.1 Unique )
&rst
ixpk= 23498, nxpk= 0, iat= 914, 892, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 60 ILE HA 63 GLU QG 5.40 (# 23501.1 Unique )
&rst
ixpk= 23501, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 977, 978,
&end
#
# 60 ILE HA 63 GLU QB 3.60 (# 23505.1 Unique )
&rst
ixpk= 23505, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 974, 975,
&end
#
# 60 ILE HA 60 ILE HB 3.50 (# 23509.1 Unique )
&rst
ixpk= 23509, nxpk= 0, iat= 914, 916, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 ILE HA 60 ILE QG1 3.40 (# 23512.1 Unique )
&rst
ixpk= 23512, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 922, 923,
&end
#
# 60 ILE HA 59 LYS QB 5.00 (# 23516.1 Unique )
&rst
ixpk= 23516, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 894, 895,
&end
#
# 60 ILE QG1 63 GLU QB 6.00 (# 23527.1 Unique )
&rst
ixpk= 23527, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 922, 923,
igr2= 974, 975,
&end
#
# 60 ILE QG1 55 LEU QB 4.60 (# 23540.1 Unique )
&rst
ixpk= 23540, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 922, 923,
igr2= 842, 843,
&end
#
# 60 ILE MG2 64 VAL HN 4.80 (# 23545.1 Unique )
&rst
ixpk= 23545, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 918, 919, 920,
&end
#
# 60 ILE MG2 61 GLN HN 4.00 (# 23548.1 Unique )
&rst
ixpk= 23548, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 918, 919, 920,
&end
#
# 60 ILE MG2 62 LYS HN 6.00 (# 23551.1 Unique )
&rst
ixpk= 23551, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 918, 919, 920,
&end
#
# 60 ILE MG2 63 GLU HN 5.60 (# 23554.1 Unique )
&rst
ixpk= 23554, nxpk= 0, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 918, 919, 920,
&end
#
# 60 ILE MG2 35 LEU HN 6.00 (# 23557.1 Unique )
&rst
ixpk= 23557, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 918, 919, 920,
&end
#
# 60 ILE MG2 0 AMB m:23560 3.80 (# 23560.1 Single Ambig [HA 61 HA 120] )
&rst
ixpk= 23560, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 918, 919, 920,
igr2= 933,1869,
&end
#
# 60 ILE MG2 36 LEU HA 4.00 (# 23564.1 Unique )
&rst
ixpk= 23564, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 918, 919, 920,
&end
#
# 78 ILE MD 29 ILE HN 6.00 (# 23579.1 Unique )
&rst
ixpk= 23579, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1207,1208,1209,
&end
#
# 78 ILE MD 77 THR HN 5.30 (# 23582.1 Unique )
&rst
ixpk= 23582, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1207,1208,1209,
&end
#
# 60 ILE MD 60 ILE HA 4.30 (# 23591.1 Unique )
&rst
ixpk= 23591, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 925, 926, 927,
&end
#
# 61 GLN HA 0 AMB m:23598 3.80 (# 23598.1 Single Ambig [HN 65 HN 64] )
&rst
ixpk= 23598, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1001, 985,
&end
#
# 61 GLN HA 65 GLU QG 5.00 (# 23611.1 Unique )
&rst
ixpk= 23611, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1008,1009,
&end
#
# 61 GLN HA 0 AMB m:23615 2.80 (# 23615.1 Single Ambig [QB 61 HB 64] )
&rst
ixpk= 23615, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 935, 936, 989,
&end
#
# 61 GLN QB 62 LYS HN 2.80 (# 23624.1 Unique )
&rst
ixpk= 23624, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 935, 936,
&end
#
# 61 GLN QB 36 LEU MD1 5.20 (# 23628.1 Unique )
&rst
ixpk= 23628, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 935, 936,
igr2= 575, 576, 577,
&end
#
# 61 GLN QB 61 GLN HA 3.60 (# 23644.1 Unique )
&rst
ixpk= 23644, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 935, 936,
&end
#
# 61 GLN QB 60 ILE MG2 5.80 (# 23652.1 Unique )
&rst
ixpk= 23652, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 935, 936,
igr2= 918, 919, 920,
&end
#
# 61 GLN QB 36 LEU MD1 4.30 (# 23656.1 Unique )
&rst
ixpk= 23656, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 935, 936,
igr2= 575, 576, 577,
&end
#
# 61 GLN QB 60 ILE HB 6.00 (# 23660.1 Unique )
&rst
ixpk= 23660, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 935, 936,
&end
#
# 61 GLN QB 65 GLU QG 5.20 (# 23664.1 Unique )
&rst
ixpk= 23664, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 935, 936,
igr2=1008,1009,
&end
#
# 63 GLU QG 63 GLU HN 3.60 (# 23669.1 Unique )
&rst
ixpk= 23669, nxpk= 0, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 977, 978,
&end
#
# 63 GLU QG 127 LEU HN 6.00 (# 23673.1 Unique )
&rst
ixpk= 23673, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 977, 978,
&end
#
# 63 GLU QG 63 GLU HA 3.90 (# 23681.1 Unique )
&rst
ixpk= 23681, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 977, 978,
&end
#
# 64 VAL HA 66 SER HN 4.60 (# 23685.1 Unique )
&rst
ixpk= 23685, nxpk= 0, iat= 987,1016, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 64 VAL MG1 64 VAL HA 2.60 (# 23694.1 Unique )
&rst
ixpk= 23694, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 991, 992, 993,
&end
#
# 66 SER QB 67 LEU HN 4.00 (# 23697.1 Unique )
&rst
ixpk= 23697, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1020,1021,
&end
#
# 66 SER QB 65 GLU HN 6.00 (# 23701.1 Unique )
&rst
ixpk= 23701, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1020,1021,
&end
#
# 66 SER QB 65 GLU QB 5.60 (# 23705.1 Unique )
&rst
ixpk= 23705, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1020,1021,
igr2=1005,1006,
&end
#
# 66 SER HA 69 GLY HN 4.50 (# 23710.1 Unique; orig = 3.50 )
&rst
ixpk= 23710, nxpk= 0, iat=1018,1065, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 SER HA 67 LEU HN 4.10 (# 23713.1 Unique )
&rst
ixpk= 23713, nxpk= 0, iat=1018,1027, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 66 SER HA 65 GLU QB 5.20 (# 23716.1 Unique )
&rst
ixpk= 23716, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1005,1006,
&end
#
# 68 ILE HA 68 ILE HN 3.40 (# 23720.1 Unique )
&rst
ixpk= 23720, nxpk= 0, iat=1048,1046, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 68 ILE HB 68 ILE HN 5.00 (# 23723.1 Unique )
&rst
ixpk= 23723, nxpk= 0, iat=1050,1046, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 68 ILE HA 68 ILE QG1 5.00 (# 23733.1 Unique )
&rst
ixpk= 23733, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1056,1057,
&end
#
# 68 ILE HA 68 ILE MD 5.60 (# 23737.1 Unique )
&rst
ixpk= 23737, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1059,1060,1061,
&end
#
# 68 ILE HB 65 GLU HA 5.80 (# 23743.1 Unique )
&rst
ixpk= 23743, nxpk= 0, iat=1050,1003, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 68 ILE QG1 33 HIS HE1 6.00 (# 23750.1 Unique )
&rst
ixpk= 23750, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1056,1057,
&end
#
# 68 ILE QG1 67 LEU QB 5.00 (# 23758.1 Unique )
&rst
ixpk= 23758, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1056,1057,
igr2=1031,1032,
&end
#
# 68 ILE MG2 64 VAL HA 5.40 (# 23773.1 Unique )
&rst
ixpk= 23773, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1052,1053,1054,
&end
#
# 68 ILE MG2 65 GLU HA 4.80 (# 23780.1 Unique )
&rst
ixpk= 23780, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1052,1053,1054,
&end
#
# 70 ARG QB 70 ARG HA 4.70 (# 23803.1 Unique )
&rst
ixpk= 23803, nxpk= 0, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1076,1077,
&end
#
# 70 ARG QB 70 ARG HA 5.40 (# 23807.1 Unique )
&rst
ixpk= 23807, nxpk= 0, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1076,1077,
&end
#
# 70 ARG QB 70 ARG HA 6.00 (# 23811.1 Unique )
&rst
ixpk= 23811, nxpk= 0, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1076,1077,
&end
#
# 70 ARG QB 70 ARG QB 4.30 (# 23823.1 Unique )
#This appears to be self-referential: ignoring
#
# 75 SER HA 76 GLN HN 3.50 (# 23845.1 Unique; orig = 3.00 )
&rst
ixpk= 23845, nxpk= 0, iat=1154,1163, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 THR HA 77 THR HB 3.50 (# 23859.1 Unique; orig = 2.70 )
&rst
ixpk= 23859, nxpk= 0, iat=1182,1184, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 THR HA 78 ILE HB 5.20 (# 23862.1 Unique )
&rst
ixpk= 23862, nxpk= 0, iat=1182,1198, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 77 THR HA 78 ILE QG1 6.00 (# 23865.1 Unique )
&rst
ixpk= 23865, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1204,1205,
&end
#
# 77 THR HB 78 ILE HN 6.00 (# 23872.1 Unique; orig = 4.30 )
&rst
ixpk= 23872, nxpk= 0, iat=1184,1194, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 77 THR MG2 79 HIS HN 6.00 (# 23878.1 Unique; orig = 4.90 )
&rst
ixpk= 23878, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1186,1187,1188,
&end
#
# 77 THR MG2 18 GLN QE2 6.00 (# 23884.1 Unique )
&rst
ixpk= 23884, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1186,1187,1188,
igr2= 297, 298,
&end
#
# 77 THR MG2 78 ILE HA 4.80 (# 23887.1 Unique )
&rst
ixpk= 23887, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1186,1187,1188,
&end
#
# 77 THR MG2 78 ILE MG2 6.00 (# 23894.1 Unique; orig = 4.80 )
&rst
ixpk= 23894, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1186,1187,1188,
igr2=1200,1201,1202,
&end
#
# 78 ILE HB 28 ASN HA 6.00 (# 23913.1 Unique )
&rst
ixpk= 23913, nxpk= 0, iat=1198, 444, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 78 ILE HB 0 AMB m:23920 6.00 (# 23920.1 Single Ambig [MB 21 MG2 29] )
&rst
ixpk= 23920, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 336, 337, 338, 462, 463, 464,
&end
#
# 78 ILE MG2 18 GLN QE2 6.00 (# 23924.1 Unique )
&rst
ixpk= 23924, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1200,1201,1202,
igr2= 297, 298,
&end
#
# 78 ILE MD 29 ILE QG1 4.90 (# 23933.1 Unique )
&rst
ixpk= 23933, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1207,1208,1209,
igr2= 466, 467,
&end
#
# 78 ILE MD 29 ILE MD 5.80 (# 23936.1 Unique )
&rst
ixpk= 23936, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr1=1207,1208,1209,
igr2= 469, 470, 471,
&end
#
# 100 HIS HA 100 HIS HD2 6.00 (# 23939.1 Unique; orig = 3.60 )
&rst
ixpk= 23939, nxpk= 0, iat=1565,1576, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 100 HIS HA 102 TYR HN 5.20 (# 23942.1 Unique )
&rst
ixpk= 23942, nxpk= 0, iat=1565,1591, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 79 HIS HA 80 TYR HD 5.00 (# 23948.1 Unique )
&rst
ixpk= 23948, nxpk= 0, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1238,1247,
&end
#
# 79 HIS HA 79 HIS QB 3.40 (# 23951.1 Unique )
&rst
ixpk= 23951, nxpk= 0, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1217,1218,
&end
#
# 80 TYR QB 85 LYS HN 5.20 (# 23963.1 Unique )
&rst
ixpk= 23963, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1234,1235,
&end
#
# 80 TYR QB 85 LYS QB 6.00 (# 23967.1 Unique )
&rst
ixpk= 23967, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1234,1235,
igr2=1317,1318,
&end
#
# 80 TYR QB 0 AMB m:23973 3.80 (# 23973.1 Single Ambig [MB 84 QB 85] )
&rst
ixpk= 23973, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1234,1235,
igr2=1307,1308,1309,1317,1318,
&end
#
# 80 TYR QB 85 LYS QB 6.00 (# 23985.1 Unique )
&rst
ixpk= 23985, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1234,1235,
igr2=1317,1318,
&end
#
# 80 TYR HA 84 ALA MB 4.30 (# 24001.1 Unique )
&rst
ixpk= 24001, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1307,1308,1309,
&end
#
# 80 TYR HA 80 TYR QB 3.60 (# 24004.1 Unique )
&rst
ixpk= 24004, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1234,1235,
&end
#
# 80 TYR HA 80 TYR HD 4.30 (# 24008.1 Unique )
&rst
ixpk= 24008, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1238,1247,
&end
#
# 82 PRO HA 85 LYS HN 4.90 (# 24014.1 Unique )
&rst
ixpk= 24014, nxpk= 0, iat=1275,1313, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 82 PRO HA 82 PRO QB 5.20 (# 24020.1 Unique )
&rst
ixpk= 24020, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1272,1273,
&end
#
# 82 PRO HA 85 LYS QB 6.00 (# 24024.1 Unique; orig = 4.20 )
&rst
ixpk= 24024, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1317,1318,
&end
#
# 82 PRO HA 82 PRO QB 4.50 (# 24028.1 Unique )
&rst
ixpk= 24028, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1272,1273,
&end
#
# 82 PRO HA 86 LYS QB 5.00 (# 24032.1 Unique )
&rst
ixpk= 24032, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1339,1340,
&end
#
# 82 PRO QB 82 PRO QB 3.90 (# 24036.1 Unique )
#This appears to be self-referential: ignoring
#
# 9 ARG QB 9 ARG QB 3.30 (# 24053.1 Unique )
#This appears to be self-referential: ignoring
#
# 83 ARG HA 86 LYS HN 3.80 (# 24058.1 Unique )
&rst
ixpk= 24058, nxpk= 0, iat=1281,1335, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 83 ARG HA 83 ARG QB 5.80 (# 24061.1 Unique )
&rst
ixpk= 24061, nxpk= 0, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1283,1284,
&end
#
# 83 ARG HA 86 LYS QB 3.60 (# 24065.1 Unique )
&rst
ixpk= 24065, nxpk= 0, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1339,1340,
&end
#
# 10 ALA MB 107 HIS HN 6.00 (# 24078.1 Unique )
&rst
ixpk= 24078, nxpk= 0, iat= -1,1664, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 166, 167, 168,
&end
#
# 10 ALA MB 108 ILE HN 6.00 (# 24081.1 Unique )
&rst
ixpk= 24081, nxpk= 0, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 166, 167, 168,
&end
#
# 84 ALA MB 86 LYS HN 5.60 (# 24084.1 Unique )
&rst
ixpk= 24084, nxpk= 0, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1307,1308,1309,
&end
#
# 10 ALA MB 105 THR HB 6.00 (# 24093.1 Unique )
&rst
ixpk= 24093, nxpk= 0, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 166, 167, 168,
&end
#
# 85 LYS HA 85 LYS HN 3.60 (# 24096.1 Unique )
&rst
ixpk= 24096, nxpk= 0, iat=1315,1313, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 85 LYS HA 89 GLU HN 4.90 (# 24099.1 Unique )
&rst
ixpk= 24099, nxpk= 0, iat=1315,1392, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 85 LYS HA 88 ILE HN 4.30 (# 24102.1 Unique )
&rst
ixpk= 24102, nxpk= 0, iat=1315,1373, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 13 VAL MG1 16 LEU HN 6.00 (# 24109.1 Unique )
&rst
ixpk= 24109, nxpk= 0, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 217, 218, 219,
&end
#
# 88 ILE HA 103 VAL MG1 5.80 (# 24112.1 Unique )
&rst
ixpk= 24112, nxpk= 0, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1618,1619,1620,
&end
#
# 88 ILE HA 88 ILE QG1 3.90 (# 24115.1 Unique )
&rst
ixpk= 24115, nxpk= 0, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1383,1384,
&end
#
# 88 ILE HA 88 ILE HB 3.80 (# 24119.1 Unique )
&rst
ixpk= 24119, nxpk= 0, iat=1375,1377, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 88 ILE HA 91 SER HG 3.60 (# 24122.1 Unique )
&rst
ixpk= 24122, nxpk= 0, iat=1375,1433, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 88 ILE HA 91 SER QB 4.10 (# 24125.1 Unique )
&rst
ixpk= 24125, nxpk= 0, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1430,1431,
&end
#
# 88 ILE HA 91 SER HN 4.30 (# 24129.1 Unique )
&rst
ixpk= 24129, nxpk= 0, iat=1375,1426, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 88 ILE HA 88 ILE HN 3.60 (# 24135.1 Unique )
&rst
ixpk= 24135, nxpk= 0, iat=1375,1373, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 88 ILE HB 88 ILE QG1 3.40 (# 24144.1 Unique )
&rst
ixpk= 24144, nxpk= 0, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1383,1384,
&end
#
# 88 ILE HB 89 GLU HN 3.30 (# 24148.1 Unique )
&rst
ixpk= 24148, nxpk= 0, iat=1377,1392, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 88 ILE MG2 89 GLU HN 4.10 (# 24171.1 Unique )
&rst
ixpk= 24171, nxpk= 0, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1379,1380,1381,
&end
#
# 88 ILE MG2 88 ILE HN 5.00 (# 24174.1 Unique )
&rst
ixpk= 24174, nxpk= 0, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1379,1380,1381,
&end
#
# 88 ILE MG2 92 MET HN 5.80 (# 24177.1 Unique )
&rst
ixpk= 24177, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1379,1380,1381,
&end
#
# 88 ILE MG2 6 PHE HE 5.20 (# 24180.1 Unique )
&rst
ixpk= 24180, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1379,1380,1381,
igr2= 99, 103,
&end
#
# 88 ILE MG2 80 TYR HD 6.00 (# 24183.1 Unique )
&rst
ixpk= 24183, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1379,1380,1381,
igr2=1238,1247,
&end
#
# 88 ILE MG2 91 SER HG 5.80 (# 24186.1 Unique )
&rst
ixpk= 24186, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1379,1380,1381,
&end
#
# 88 ILE MG2 89 GLU HA 4.00 (# 24189.1 Unique )
&rst
ixpk= 24189, nxpk= 0, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1379,1380,1381,
&end
#
# 88 ILE MG2 92 MET QB 5.20 (# 24195.1 Unique )
&rst
ixpk= 24195, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1379,1380,1381,
igr2=1441,1442,
&end
#
# 88 ILE MG2 103 VAL MG2 5.00 (# 24199.1 Unique )
&rst
ixpk= 24199, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1379,1380,1381,
igr2=1622,1623,1624,
&end
#
# 88 ILE MD 88 ILE HN 4.90 (# 24202.1 Unique )
&rst
ixpk= 24202, nxpk= 0, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1386,1387,1388,
&end
#
# 88 ILE MD 89 GLU HN 6.00 (# 24205.1 Unique )
&rst
ixpk= 24205, nxpk= 0, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1386,1387,1388,
&end
#
# 88 ILE MD 6 PHE HD 6.00 (# 24208.1 Unique; orig = 4.10 )
&rst
ixpk= 24208, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1386,1387,1388,
igr2= 97, 105,
&end
#
# 88 ILE MD 91 SER HG 6.00 (# 24217.1 Unique )
&rst
ixpk= 24217, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1386,1387,1388,
&end
#
# 88 ILE MD 89 GLU HA 6.00 (# 24220.1 Unique )
&rst
ixpk= 24220, nxpk= 0, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1386,1387,1388,
&end
#
# 88 ILE MD 88 ILE HA 3.10 (# 24223.1 Unique )
&rst
ixpk= 24223, nxpk= 0, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1=1386,1387,1388,
&end
#
# 88 ILE MD 88 ILE HB 4.30 (# 24229.1 Unique )
&rst
ixpk= 24229, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1386,1387,1388,
&end
#
# 88 ILE MD 84 ALA MB 4.50 (# 24232.1 Unique )
&rst
ixpk= 24232, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1386,1387,1388,
igr2=1307,1308,1309,
&end
#
# 65 GLU HA 66 SER HN 4.10 (# 24245.1 Unique )
&rst
ixpk= 24245, nxpk= 0, iat=1003,1016, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 65 GLU HA 69 GLY HN 4.70 (# 24248.1 Unique )
&rst
ixpk= 24248, nxpk= 0, iat=1003,1065, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 65 GLU HA 0 AMB m:24251 4.70 (# 24251.1 Single Ambig [MD2 36 MD1 36] )
&rst
ixpk= 24251, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 579, 580, 581, 575, 576, 577,
&end
#
# 89 GLU QB 90 LEU HN 3.70 (# 24259.1 Unique )
&rst
ixpk= 24259, nxpk= 0, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1396,1397,
&end
#
# 89 GLU QG 90 LEU HN 6.00 (# 24271.1 Unique )
&rst
ixpk= 24271, nxpk= 0, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1399,1400,
&end
#
# 89 GLU QG 86 LYS HN 6.00 (# 24279.1 Unique; orig = 4.90 )
&rst
ixpk= 24279, nxpk= 0, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1399,1400,
&end
#
# 89 GLU QG 89 GLU HA 3.60 (# 24283.1 Unique )
&rst
ixpk= 24283, nxpk= 0, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1399,1400,
&end
#
# 41 GLU QG 41 GLU HA 3.80 (# 24287.1 Unique )
&rst
ixpk= 24287, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 658, 659,
&end
#
# 90 LEU MD2 90 LEU HN 4.70 (# 24298.1 Unique )
&rst
ixpk= 24298, nxpk= 0, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1420,1421,1422,
&end
#
# 90 LEU MD1 90 LEU HN 5.20 (# 24301.1 Unique )
&rst
ixpk= 24301, nxpk= 0, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1416,1417,1418,
&end
#
# 90 LEU HA 91 SER HN 4.70 (# 24304.1 Unique )
&rst
ixpk= 24304, nxpk= 0, iat=1409,1426, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 90 LEU HA 89 GLU HN 6.00 (# 24307.1 Unique )
&rst
ixpk= 24307, nxpk= 0, iat=1409,1392, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 90 LEU HA 93 ASP HN 4.00 (# 24310.1 Unique )
&rst
ixpk= 24310, nxpk= 0, iat=1409,1454, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 90 LEU HA 90 LEU QB 3.40 (# 24313.1 Unique )
&rst
ixpk= 24313, nxpk= 0, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1411,1412,
&end
#
# 90 LEU HA 90 LEU HG 3.80 (# 24317.1 Unique )
&rst
ixpk= 24317, nxpk= 0, iat=1409,1414, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 90 LEU QB 114 ARG QB 3.90 (# 24342.1 Unique )
&rst
ixpk= 24342, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1411,1412,
igr2=1787,1788,
&end
#
# 90 LEU MD2 91 SER HN 6.00 (# 24354.1 Unique )
&rst
ixpk= 24354, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1420,1421,1422,
&end
#
# 90 LEU MD2 93 ASP HN 6.00 (# 24357.1 Unique )
&rst
ixpk= 24357, nxpk= 0, iat= -1,1454, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1420,1421,1422,
&end
#
# 90 LEU MD2 114 ARG QB 4.00 (# 24364.1 Unique )
&rst
ixpk= 24364, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1420,1421,1422,
igr2=1787,1788,
&end
#
# 90 LEU MD2 111 GLY QA 6.00 (# 24368.1 Unique )
&rst
ixpk= 24368, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1420,1421,1422,
igr2=1740,1741,
&end
#
# 90 LEU MD2 114 ARG QB 4.30 (# 24372.1 Unique )
&rst
ixpk= 24372, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1420,1421,1422,
igr2=1787,1788,
&end
#
# 90 LEU MD1 91 SER HN 6.00 (# 24376.1 Unique )
&rst
ixpk= 24376, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1416,1417,1418,
&end
#
# 90 LEU MD1 114 ARG HN 6.00 (# 24379.1 Unique )
&rst
ixpk= 24379, nxpk= 0, iat= -1,1783, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1416,1417,1418,
&end
#
# 90 LEU MD1 115 GLU HN 3.60 (# 24382.1 Unique )
&rst
ixpk= 24382, nxpk= 0, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1416,1417,1418,
&end
#
# 90 LEU MD1 90 LEU HA 6.00 (# 24385.1 Unique )
&rst
ixpk= 24385, nxpk= 0, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1416,1417,1418,
&end
#
# 90 LEU MD1 87 VAL HA 3.30 (# 24388.1 Unique )
&rst
ixpk= 24388, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1416,1417,1418,
&end
#
# 90 LEU MD1 86 LYS QB 5.00 (# 24391.1 Unique )
&rst
ixpk= 24391, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1416,1417,1418,
igr2=1339,1340,
&end
#
# 90 LEU MD1 111 GLY QA 5.10 (# 24395.1 Unique )
&rst
ixpk= 24395, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=1416,1417,1418,
igr2=1740,1741,
&end
#
# 90 LEU MD1 115 GLU QB 3.80 (# 24399.1 Unique )
&rst
ixpk= 24399, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1416,1417,1418,
igr2=1811,1812,
&end
#
# 90 LEU MD1 115 GLU QG 5.20 (# 24403.1 Unique )
&rst
ixpk= 24403, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1416,1417,1418,
igr2=1814,1815,
&end
#
# 91 SER HA 111 GLY HN 4.40 (# 24407.1 Unique )
&rst
ixpk= 24407, nxpk= 0, iat=1428,1738, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 91 SER HA 0 AMB m:24410 3.60 (# 24410.1 Single Ambig [HN 94 HN 91] )
&rst
ixpk= 24410, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1466,1426,
&end
#
# 93 ASP HA 96 ARG QB 6.00 (# 24421.1 Unique )
&rst
ixpk= 24421, nxpk= 0, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1495,1496,
&end
#
# 93 ASP HA 96 ARG QB 4.50 (# 24427.1 Unique; orig = 3.40 )
&rst
ixpk= 24427, nxpk= 0, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1495,1496,
&end
#
# 93 ASP QB 90 LEU HA 3.40 (# 24435.1 Unique )
&rst
ixpk= 24435, nxpk= 0, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1458,1459,
&end
#
# 93 ASP QB 92 MET HN 6.00 (# 24443.1 Unique )
&rst
ixpk= 24443, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1458,1459,
&end
#
# 95 ALA HA 98 LEU HN 4.40 (# 24451.1 Unique )
&rst
ixpk= 24451, nxpk= 0, iat=1483,1537, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 95 ALA HA 107 HIS QB 4.90 (# 24454.1 Unique )
&rst
ixpk= 24454, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1668,1669,
&end
#
# 95 ALA HA 0 AMB m:24458 4.60 (# 24458.1 Single Ambig [MD1 98 MD2 98] )
&rst
ixpk= 24458, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 95 ALA MB 97 LYS HN 5.80 (# 24462.1 Unique )
&rst
ixpk= 24462, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1485,1486,1487,
&end
#
# 95 ALA MB 92 MET QB 6.00 (# 24468.1 Unique )
&rst
ixpk= 24468, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1485,1486,1487,
igr2=1441,1442,
&end
#
# 95 ALA MB 100 HIS QB 3.50 (# 24472.1 Unique )
&rst
ixpk= 24472, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1485,1486,1487,
igr2=1567,1568,
&end
#
# 97 LYS HA 99 GLY HN 5.20 (# 24501.1 Unique )
&rst
ixpk= 24501, nxpk= 0, iat=1517,1556, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 97 LYS QB 97 LYS HN 4.90 (# 24513.1 Unique )
&rst
ixpk= 24513, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1519,1520,
&end
#
# 97 LYS QB 97 LYS HA 3.90 (# 24522.1 Unique )
&rst
ixpk= 24522, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1519,1520,
&end
#
# 97 LYS QB 97 LYS QB 3.40 (# 24526.1 Unique )
#This appears to be self-referential: ignoring
#
# 97 LYS QB 97 LYS HA 5.00 (# 24531.1 Unique )
&rst
ixpk= 24531, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1519,1520,
&end
#
# 97 LYS QB 0 AMB m:24535 4.50 (# 24535.1 Single Ambig [MD2 90 MD1 98 MD2 98]; orig = 3.60 )
&rst
ixpk= 24535, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1519,1520,
igr2=1420,1421,1422,1546,1547,1548,1550,1551,1552,
&end
#
# 97 LYS QB 97 LYS QB 4.00 (# 24541.1 Unique )
#This appears to be self-referential: ignoring
#
# 97 LYS QB 97 LYS QB 3.80 (# 24553.1 Unique )
#This appears to be self-referential: ignoring
#
# 98 LEU HG 98 LEU HN 4.50 (# 24562.1 Unique; orig = 3.90 )
&rst
ixpk= 24562, nxpk= 0, iat=1544,1537, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 LEU QB 98 LEU HG 3.50 (# 24565.1 Unique )
&rst
ixpk= 24565, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1541,1542,
&end
#
# 67 LEU HG 67 LEU HA 4.30 (# 24575.1 Unique )
&rst
ixpk= 24575, nxpk= 0, iat=1034,1029, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 109 LEU MD1 109 LEU QB 3.40 (# 24582.1 Unique )
&rst
ixpk= 24582, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1709,1710,1711,
igr2=1704,1705,
&end
#
# 100 HIS HA 100 HIS QB 3.80 (# 24586.1 Unique )
&rst
ixpk= 24586, nxpk= 0, iat=1565, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1567,1568,
&end
#
# 100 HIS QB 100 HIS HE1 6.00 (# 24594.1 Unique )
&rst
ixpk= 24594, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1567,1568,
&end
#
# 100 HIS QB 0 AMB m:24598 5.80 (# 24598.1 Single Ambig [HA 96 QB 101] )
&rst
ixpk= 24598, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1567,1568,
igr2=1493,1584,1585,
&end
#
# 101 SER QB 102 TYR HD 4.80 (# 24623.1 Unique )
&rst
ixpk= 24623, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1584,1585,
igr2=1599,1608,
&end
#
# 102 TYR HA 102 TYR HD 4.60 (# 24633.1 Unique )
&rst
ixpk= 24633, nxpk= 0, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1599,1608,
&end
#
# 102 TYR QB 7 THR MG2 4.30 (# 24636.1 Unique )
&rst
ixpk= 24636, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1595,1596,
igr2= 115, 116, 117,
&end
#
# 102 TYR QB 102 TYR HN 4.90 (# 24644.1 Unique )
&rst
ixpk= 24644, nxpk= 0, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1595,1596,
&end
#
# 102 TYR QB 102 TYR HA 4.30 (# 24652.1 Unique )
&rst
ixpk= 24652, nxpk= 0, iat= -1,1593, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1595,1596,
&end
#
# 102 TYR QB 7 THR HN 6.00 (# 24656.1 Unique )
&rst
ixpk= 24656, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1595,1596,
&end
#
# 103 VAL HA 103 VAL HN 3.90 (# 24664.1 Unique )
&rst
ixpk= 24664, nxpk= 0, iat=1614,1612, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 103 VAL HA 107 HIS HN 6.00 (# 24667.1 Unique )
&rst
ixpk= 24667, nxpk= 0, iat=1614,1664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 103 VAL HA 103 VAL HB 4.00 (# 24670.1 Unique )
&rst
ixpk= 24670, nxpk= 0, iat=1614,1616, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 103 VAL HA 91 SER QB 5.60 (# 24673.1 Unique )
&rst
ixpk= 24673, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1430,1431,
&end
#
# 103 VAL HB 6 PHE HD 3.60 (# 24683.1 Unique )
&rst
ixpk= 24683, nxpk= 0, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 97, 105,
&end
#
# 103 VAL HB 95 ALA MB 6.00 (# 24689.1 Unique )
&rst
ixpk= 24689, nxpk= 0, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1485,1486,1487,
&end
#
# 103 VAL HB 92 MET QB 6.00 (# 24692.1 Unique )
&rst
ixpk= 24692, nxpk= 0, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1441,1442,
&end
#
# 103 VAL MG1 91 SER HG 6.00 (# 24699.1 Unique )
&rst
ixpk= 24699, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1618,1619,1620,
&end
#
# 103 VAL MG1 107 HIS HD2 6.00 (# 24702.1 Unique )
&rst
ixpk= 24702, nxpk= 0, iat= -1,1677, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1618,1619,1620,
&end
#
# 103 VAL MG1 108 ILE HN 4.50 (# 24705.1 Unique )
&rst
ixpk= 24705, nxpk= 0, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1618,1619,1620,
&end
#
# 103 VAL MG1 103 VAL HN 5.60 (# 24708.1 Unique )
&rst
ixpk= 24708, nxpk= 0, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1618,1619,1620,
&end
#
# 103 VAL MG1 91 SER QB 3.60 (# 24714.1 Unique )
&rst
ixpk= 24714, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1618,1619,1620,
igr2=1430,1431,
&end
#
# 103 VAL MG1 91 SER HA 4.90 (# 24718.1 Unique )
&rst
ixpk= 24718, nxpk= 0, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1618,1619,1620,
&end
#
# 103 VAL MG1 92 MET QB 6.00 (# 24721.1 Unique )
&rst
ixpk= 24721, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1618,1619,1620,
igr2=1441,1442,
&end
#
# 103 VAL MG1 92 MET QB 5.60 (# 24725.1 Unique )
&rst
ixpk= 24725, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1618,1619,1620,
igr2=1441,1442,
&end
#
# 103 VAL MG1 10 ALA MB 4.50 (# 24729.1 Unique )
&rst
ixpk= 24729, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1618,1619,1620,
igr2= 166, 167, 168,
&end
#
# 103 VAL MG1 108 ILE HB 6.00 (# 24736.1 Unique )
&rst
ixpk= 24736, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1618,1619,1620,
&end
#
# 103 VAL MG2 92 MET HN 5.10 (# 24739.1 Unique )
&rst
ixpk= 24739, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1622,1623,1624,
&end
#
# 103 VAL MG2 91 SER HA 6.00 (# 24752.1 Unique )
&rst
ixpk= 24752, nxpk= 0, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1622,1623,1624,
&end
#
# 103 VAL MG2 92 MET QB 5.40 (# 24755.1 Unique )
&rst
ixpk= 24755, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1622,1623,1624,
igr2=1441,1442,
&end
#
# 103 VAL MG2 0 AMB m:24759 4.10 (# 24759.1 Single Ambig [ME 92 QB 92] )
&rst
ixpk= 24759, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1622,1623,1624,
igr2=1448,1449,1450,1441,1442,
&end
#
# 106 GLU HA 109 LEU HN 3.90 (# 24771.1 Unique )
&rst
ixpk= 24771, nxpk= 0, iat=1651,1700, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 106 GLU HA 108 ILE HN 6.00 (# 24774.1 Unique; orig = 4.30 )
&rst
ixpk= 24774, nxpk= 0, iat=1651,1681, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 106 GLU HA 107 HIS HN 4.40 (# 24777.1 Unique )
&rst
ixpk= 24777, nxpk= 0, iat=1651,1664, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 32 GLU QB 35 LEU QB 4.80 (# 24788.1 Unique )
&rst
ixpk= 24788, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 500, 501,
igr2= 551, 552,
&end
#
# 32 GLU QB 64 VAL HB 6.00 (# 24793.1 Unique )
&rst
ixpk= 24793, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 500, 501,
&end
#
# 106 GLU QB 138 VAL HA 5.20 (# 24809.1 Unique )
&rst
ixpk= 24809, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1653,1654,
&end
#
# 106 GLU QB 107 HIS HA 5.20 (# 24813.1 Unique )
&rst
ixpk= 24813, nxpk= 0, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1653,1654,
&end
#
# 107 HIS HA 106 GLU HA 5.00 (# 24835.1 Unique )
&rst
ixpk= 24835, nxpk= 0, iat=1666,1651, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 113 ILE MG2 113 ILE HN 4.50 (# 24841.1 Unique )
&rst
ixpk= 24841, nxpk= 0, iat= -1,1764, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1770,1771,1772,
&end
#
# 113 ILE HA 113 ILE MD 6.00 (# 24844.1 Unique; orig = 4.10 )
&rst
ixpk= 24844, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1777,1778,1779,
&end
#
# 113 ILE HA 113 ILE QG1 3.60 (# 24847.1 Unique )
&rst
ixpk= 24847, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1774,1775,
&end
#
# 113 ILE HA 121 ALA MB 3.80 (# 24851.1 Unique )
&rst
ixpk= 24851, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1881,1882,1883,
&end
#
# 113 ILE HA 0 AMB m:24854 3.40 (# 24854.1 Single Ambig [HB 113 QG1 113] )
&rst
ixpk= 24854, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1768,1774,1775,
&end
#
# 113 ILE HA 112 LEU QB 5.40 (# 24859.1 Unique )
&rst
ixpk= 24859, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1749,1750,
&end
#
# 113 ILE HA 116 GLY HN 4.80 (# 24875.1 Unique )
&rst
ixpk= 24875, nxpk= 0, iat=1766,1822, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 113 ILE HB 113 ILE MD 3.90 (# 24881.1 Unique )
&rst
ixpk= 24881, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1777,1778,1779,
&end
#
# 113 ILE HB 113 ILE QG1 3.40 (# 24884.1 Unique )
&rst
ixpk= 24884, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1774,1775,
&end
#
# 113 ILE HB 131 LEU MD2 3.60 (# 24888.1 Unique )
&rst
ixpk= 24888, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=2040,2041,2042,
&end
#
# 113 ILE HB 113 ILE HA 3.90 (# 24891.1 Unique )
&rst
ixpk= 24891, nxpk= 0, iat=1768,1766, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 113 ILE HB 113 ILE HN 3.60 (# 24897.1 Unique )
&rst
ixpk= 24897, nxpk= 0, iat=1768,1764, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 113 ILE QG1 109 LEU QB 6.00 (# 24904.1 Unique )
&rst
ixpk= 24904, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1774,1775,
igr2=1704,1705,
&end
#
# 113 ILE MG2 131 LEU HN 6.00 (# 24909.1 Unique; orig = 4.10 )
&rst
ixpk= 24909, nxpk= 0, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1770,1771,1772,
&end
#
# 113 ILE MG2 135 ARG HN 5.20 (# 24912.1 Unique )
&rst
ixpk= 24912, nxpk= 0, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1770,1771,1772,
&end
#
# 113 ILE MG2 114 ARG HN 4.80 (# 24915.1 Unique )
&rst
ixpk= 24915, nxpk= 0, iat= -1,1783, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1770,1771,1772,
&end
#
# 113 ILE MG2 125 ASN QD2 4.30 (# 24918.1 Unique )
&rst
ixpk= 24918, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1770,1771,1772,
igr2=1955,1956,
&end
#
# 113 ILE MG2 135 ARG QB 6.00 (# 24921.1 Unique )
&rst
ixpk= 24921, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1770,1771,1772,
igr2=2096,2097,
&end
#
# 113 ILE MD 124 LEU QB 6.00 (# 24929.1 Unique; orig = 4.60 )
&rst
ixpk= 24929, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1777,1778,1779,
igr2=1931,1932,
&end
#
# 113 ILE MD 109 LEU QB 4.30 (# 24933.1 Unique )
&rst
ixpk= 24933, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1777,1778,1779,
igr2=1704,1705,
&end
#
# 113 ILE MD 131 LEU QB 6.00 (# 24937.1 Unique )
&rst
ixpk= 24937, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1777,1778,1779,
igr2=2031,2032,
&end
#
# 113 ILE MD 121 ALA MB 6.00 (# 24941.1 Unique )
&rst
ixpk= 24941, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1777,1778,1779,
igr2=1881,1882,1883,
&end
#
# 113 ILE MD 131 LEU HG 6.00 (# 24944.1 Unique )
&rst
ixpk= 24944, nxpk= 0, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1777,1778,1779,
&end
#
# 114 ARG HA 114 ARG HN 3.50 (# 24969.1 Unique )
&rst
ixpk= 24969, nxpk= 0, iat=1785,1783, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 117 GLU HA 117 GLU HN 3.40 (# 24972.1 Unique )
&rst
ixpk= 24972, nxpk= 0, iat=1831,1829, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 117 GLU HA 121 ALA MB 6.00 (# 24979.1 Unique; orig = 4.10 )
&rst
ixpk= 24979, nxpk= 0, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1881,1882,1883,
&end
#
# 117 GLU HA 117 GLU QG 3.40 (# 24982.1 Unique )
&rst
ixpk= 24982, nxpk= 0, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1836,1837,
&end
#
# 119 VAL MG1 123 VAL HN 4.80 (# 24989.1 Unique )
&rst
ixpk= 24989, nxpk= 0, iat= -1,1911, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1857,1858,1859,
&end
#
# 119 VAL MG1 32 GLU HA 4.10 (# 24992.1 Unique )
&rst
ixpk= 24992, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1857,1858,1859,
&end
#
# 119 VAL MG1 120 ALA HA 3.50 (# 24995.1 Unique )
&rst
ixpk= 24995, nxpk= 0, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1857,1858,1859,
&end
#
# 121 ALA MB 121 ALA HN 2.60 (# 25001.1 Unique )
&rst
ixpk= 25001, nxpk= 0, iat= -1,1877, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1=1881,1882,1883,
&end
#
# 121 ALA HA 125 ASN HN 5.40 (# 25007.1 Unique )
&rst
ixpk= 25007, nxpk= 0, iat=1879,1946, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 121 ALA MB 118 GLY HN 5.40 (# 25013.1 Unique )
&rst
ixpk= 25013, nxpk= 0, iat= -1,1844, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1881,1882,1883,
&end
#
# 121 ALA MB 122 ARG QB 6.00 (# 25016.1 Unique; orig = 4.30 )
&rst
ixpk= 25016, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1881,1882,1883,
igr2=1891,1892,
&end
#
# 125 ASN QB 126 ASN HN 3.60 (# 25023.1 Unique )
&rst
ixpk= 25023, nxpk= 0, iat= -1,1960, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1950,1951,
&end
#
# 125 ASN QB 125 ASN QD2 5.80 (# 25031.1 Unique )
&rst
ixpk= 25031, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1=1950,1951,
igr2=1955,1956,
&end
#
# 130 SER QB 133 LYS QB 5.40 (# 25035.1 Unique )
&rst
ixpk= 25035, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=2020,2021,
igr2=2064,2065,
&end
#
# 131 LEU QB 131 LEU HA 3.60 (# 25048.1 Unique )
&rst
ixpk= 25048, nxpk= 0, iat= -1,2029, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2031,2032,
&end
#
# 131 LEU QB 131 LEU MD1 3.50 (# 25052.1 Unique )
&rst
ixpk= 25052, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2031,2032,
igr2=2036,2037,2038,
&end
#
# 131 LEU MD2 131 LEU HN 6.00 (# 25056.1 Unique )
&rst
ixpk= 25056, nxpk= 0, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2040,2041,2042,
&end
#
# 131 LEU HA 113 ILE MD 4.70 (# 25065.1 Unique )
&rst
ixpk= 25065, nxpk= 0, iat=2029, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1777,1778,1779,
&end
#
# 64 VAL MG2 33 HIS HA 6.00 (# 25072.1 Unique )
&rst
ixpk= 25072, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 995, 996, 997,
&end
#
# 131 LEU MD2 113 ILE HA 4.80 (# 25075.1 Unique )
&rst
ixpk= 25075, nxpk= 0, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=2040,2041,2042,
&end
#
# 135 ARG QB 135 ARG QB 3.10 (# 25078.1 Unique )
#This appears to be self-referential: ignoring
#
# 139 LEU QB 138 VAL HB 6.00 (# 25107.1 Unique )
&rst
ixpk= 25107, nxpk= 0, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2170,2171,
&end
#
# 139 LEU HA 141 LEU HN 5.20 (# 25114.1 Unique )
&rst
ixpk= 25114, nxpk= 0, iat=2168,2202, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 139 LEU HA 139 LEU QB 2.50 (# 25117.1 Unique )
&rst
ixpk= 25117, nxpk= 0, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2=2170,2171,
&end
#
# 139 LEU HG 140 GLN HN 6.00 (# 25121.1 Unique )
&rst
ixpk= 25121, nxpk= 0, iat=2173,2185, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 139 LEU HG 139 LEU HA 3.90 (# 25124.1 Unique )
&rst
ixpk= 25124, nxpk= 0, iat=2173,2168, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 141 LEU MD2 137 GLN QE2 4.80 (# 25127.1 Unique )
&rst
ixpk= 25127, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=2215,2216,2217,
igr2=2145,2146,
&end
#
# 141 LEU MD2 49 ALA HN 3.60 (# 25136.1 Unique )
&rst
ixpk= 25136, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=2215,2216,2217,
&end
#
# 0 AMB m:25139 48 LYS QB 4.50 (# 25139.1 Single Ambig [MD2 141 MD1 141]; orig = 3.30 )
&rst
ixpk= 25139, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2215,2216,2217,2211,2212,2213,
igr2= 738, 739,
&end
#
# 141 LEU MD1 140 GLN QB 6.00 (# 25144.1 Unique )
&rst
ixpk= 25144, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2211,2212,2213,
igr2=2189,2190,
&end
#
# 139 LEU MD2 135 ARG HA 6.00 (# 25154.1 Unique )
&rst
ixpk= 25154, nxpk= 0, iat= -1,2094, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2179,2180,2181,
&end
#
# 139 LEU MD2 135 ARG QB 4.60 (# 25157.1 Unique )
&rst
ixpk= 25157, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=2179,2180,2181,
igr2=2096,2097,
&end
#
# 133 LYS HA 133 LYS HN 3.30 (# 25177.1 Unique )
&rst
ixpk= 25177, nxpk= 0, iat=2062,2060, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 115 GLU HA 115 GLU HN 3.40 (# 25180.1 Unique )
&rst
ixpk= 25180, nxpk= 0, iat=1809,1807, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 115 GLU HA 87 VAL MG2 6.00 (# 25186.1 Unique )
&rst
ixpk= 25186, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1367,1368,1369,
&end
#
# 115 GLU HA 115 GLU QB 3.60 (# 25189.1 Unique )
&rst
ixpk= 25189, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1811,1812,
&end
#
# 115 GLU HA 115 GLU QG 3.60 (# 25193.1 Unique )
&rst
ixpk= 25193, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1814,1815,
&end
#
# 115 GLU QB 87 VAL HA 5.40 (# 25201.1 Unique )
&rst
ixpk= 25201, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1811,1812,
&end
#
# 41 GLU QB 38 LEU HA 5.80 (# 25209.1 Unique )
&rst
ixpk= 25209, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 655, 656,
&end
#
# 41 GLU QB 42 GLY HN 5.00 (# 25213.1 Unique )
&rst
ixpk= 25213, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 655, 656,
&end
#
# 115 GLU QG 115 GLU HN 4.80 (# 25221.1 Unique )
&rst
ixpk= 25221, nxpk= 0, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1814,1815,
&end
#
# 114 ARG QB 114 ARG HN 4.10 (# 25229.1 Unique )
&rst
ixpk= 25229, nxpk= 0, iat= -1,1783, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1787,1788,
&end
#
# 114 ARG QB 114 ARG HA 3.60 (# 25233.1 Unique )
&rst
ixpk= 25233, nxpk= 0, iat= -1,1785, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1787,1788,
&end
#
# 114 ARG HA 115 GLU HN 4.10 (# 25237.1 Unique )
&rst
ixpk= 25237, nxpk= 0, iat=1785,1807, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 114 ARG HA 114 ARG QB 5.60 (# 25240.1 Unique )
&rst
ixpk= 25240, nxpk= 0, iat=1785, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1787,1788,
&end
#
# 114 ARG QB 115 GLU HN 4.30 (# 25244.1 Unique )
&rst
ixpk= 25244, nxpk= 0, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1787,1788,
&end
#
# 114 ARG QB 90 LEU MD1 3.80 (# 25259.1 Unique )
&rst
ixpk= 25259, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1787,1788,
igr2=1416,1417,1418,
&end
#
# 114 ARG QB 131 LEU MD2 5.60 (# 25263.1 Unique )
&rst
ixpk= 25263, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1787,1788,
igr2=2040,2041,2042,
&end
#
# 114 ARG QB 90 LEU QB 6.00 (# 25267.1 Unique )
&rst
ixpk= 25267, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1787,1788,
igr2=1411,1412,
&end
#
# 114 ARG QB 114 ARG HN 6.00 (# 25277.1 Unique )
&rst
ixpk= 25277, nxpk= 0, iat= -1,1783, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1787,1788,
&end
#
# 114 ARG QB 110 LEU MD1 6.00 (# 25286.1 Unique; orig = 4.70 )
&rst
ixpk= 25286, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1787,1788,
igr2=1728,1729,1730,
&end
#
# 114 ARG QB 114 ARG QB 3.40 (# 25290.1 Unique )
#This appears to be self-referential: ignoring
#
# 114 ARG QB 114 ARG QB 3.10 (# 25295.1 Unique )
#This appears to be self-referential: ignoring
#
# 114 ARG QB 111 GLY QA 4.90 (# 25306.1 Unique )
&rst
ixpk= 25306, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1787,1788,
igr2=1740,1741,
&end
#
# 114 ARG QB 93 ASP QB 6.00 (# 25311.1 Unique; orig = 4.80 )
&rst
ixpk= 25311, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1787,1788,
igr2=1458,1459,
&end
#
# 112 LEU HA 113 ILE HN 4.60 (# 25334.1 Unique )
&rst
ixpk= 25334, nxpk= 0, iat=1747,1764, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 112 LEU QB 112 LEU HA 3.80 (# 25340.1 Unique )
&rst
ixpk= 25340, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1749,1750,
&end
#
# 112 LEU QB 109 LEU HA 4.70 (# 25353.1 Unique )
&rst
ixpk= 25353, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1749,1750,
&end
#
# 112 LEU HG 109 LEU HA 4.50 (# 25361.1 Unique )
&rst
ixpk= 25361, nxpk= 0, iat=1752,1702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 112 LEU HG 112 LEU HA 4.60 (# 25364.1 Unique )
&rst
ixpk= 25364, nxpk= 0, iat=1752,1747, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 112 LEU HG 0 AMB m:25367 6.00 (# 25367.1 Single Ambig [MD1 124 MD2 124] )
&rst
ixpk= 25367, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1936,1937,1938,1940,1941,1942,
&end
#
# 112 LEU HG 120 ALA MB 6.00 (# 25374.1 Unique )
&rst
ixpk= 25374, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1871,1872,1873,
&end
#
# 112 LEU MD1 35 LEU HN 4.10 (# 25377.1 Unique )
&rst
ixpk= 25377, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1754,1755,1756,
&end
#
# 112 LEU MD1 0 AMB m:25380 6.00 (# 25380.1 Single Ambig [HN 34 HN 121] )
&rst
ixpk= 25380, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1754,1755,1756,
igr2= 528,1877,
&end
#
# 112 LEU MD2 113 ILE HN 6.00 (# 25387.1 Unique )
&rst
ixpk= 25387, nxpk= 0, iat= -1,1764, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1758,1759,1760,
&end
#
# 112 LEU MD2 0 AMB m:25390 5.80 (# 25390.1 Single Ambig [HN 34 HN 121] )
&rst
ixpk= 25390, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1758,1759,1760,
igr2= 528,1877,
&end
#
# 112 LEU MD2 35 LEU HN 3.80 (# 25394.1 Unique )
&rst
ixpk= 25394, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1758,1759,1760,
&end
#
# 110 LEU HG 110 LEU HN 2.80 (# 25416.1 Unique )
&rst
ixpk= 25416, nxpk= 0, iat=1726,1719, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 110 LEU HA 110 LEU HG 3.90 (# 25422.1 Unique )
&rst
ixpk= 25422, nxpk= 0, iat=1721,1726, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 50 LEU HA 49 ALA MB 4.50 (# 25425.1 Unique )
&rst
ixpk= 25425, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 760, 761, 762,
&end
#
# 50 LEU HA 50 LEU QB 2.90 (# 25428.1 Unique )
&rst
ixpk= 25428, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 770, 771,
&end
#
# 110 LEU QB 94 GLU QB 5.60 (# 25432.1 Unique )
&rst
ixpk= 25432, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1723,1724,
igr2=1470,1471,
&end
#
# 110 LEU QB 94 GLU QG 4.30 (# 25437.1 Unique )
&rst
ixpk= 25437, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1723,1724,
igr2=1473,1474,
&end
#
# 110 LEU HG 109 LEU QB 5.60 (# 25448.1 Unique )
&rst
ixpk= 25448, nxpk= 0, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1704,1705,
&end
#
# 110 LEU MD2 0 AMB m:25456 5.60 (# 25456.1 Single Ambig [HN 139 HN 138] )
&rst
ixpk= 25456, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1732,1733,1734,
igr2=2166,2150,
&end
#
# 110 LEU MD2 114 ARG HN 6.00 (# 25463.1 Unique )
&rst
ixpk= 25463, nxpk= 0, iat= -1,1783, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1732,1733,1734,
&end
#
# 110 LEU MD2 135 ARG QB 4.60 (# 25466.1 Unique )
&rst
ixpk= 25466, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1732,1733,1734,
igr2=2096,2097,
&end
#
# 110 LEU MD2 111 GLY QA 6.00 (# 25470.1 Unique )
&rst
ixpk= 25470, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1732,1733,1734,
igr2=1740,1741,
&end
#
# 110 LEU MD2 138 VAL HB 3.40 (# 25477.1 Unique )
&rst
ixpk= 25477, nxpk= 0, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1732,1733,1734,
&end
#
# 110 LEU MD1 94 GLU QB 3.10 (# 25480.1 Unique )
&rst
ixpk= 25480, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1728,1729,1730,
igr2=1470,1471,
&end
#
# 109 LEU HG 109 LEU HA 4.00 (# 25498.1 Unique )
&rst
ixpk= 25498, nxpk= 0, iat=1707,1702, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 ARG QB 96 ARG QB 4.30 (# 25501.1 Unique )
#This appears to be self-referential: ignoring
#
# 96 ARG QB 96 ARG QB 3.30 (# 25510.1 Unique )
#This appears to be self-referential: ignoring
#
# 96 ARG QB 93 ASP HA 4.50 (# 25516.1 Unique; orig = 3.60 )
&rst
ixpk= 25516, nxpk= 0, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1495,1496,
&end
#
# 96 ARG QB 96 ARG QB 4.10 (# 25524.1 Unique )
#This appears to be self-referential: ignoring
#
# 86 LYS QB 86 LYS HN 3.10 (# 25530.1 Unique )
&rst
ixpk= 25530, nxpk= 0, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1339,1340,
&end
#
# 9 ARG QB 105 THR MG2 4.00 (# 25553.1 Unique )
&rst
ixpk= 25553, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 142, 143,
igr2=1641,1642,1643,
&end
#
# 62 LYS QB 62 LYS HN 4.10 (# 25560.1 Unique )
&rst
ixpk= 25560, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 952, 953,
&end
#
# 34 ILE MG2 34 ILE HN 5.10 (# 25573.1 Unique )
&rst
ixpk= 25573, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 534, 535, 536,
&end
#
# 34 ILE HA 34 ILE QG1 3.60 (# 25583.1 Unique )
&rst
ixpk= 25583, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 538, 539,
&end
#
# 34 ILE HA 34 ILE HB 3.80 (# 25587.1 Unique )
&rst
ixpk= 25587, nxpk= 0, iat= 530, 532, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 34 ILE QG1 17 ALA MB 4.60 (# 25590.1 Unique )
&rst
ixpk= 25590, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 538, 539,
igr2= 279, 280, 281,
&end
#
# 34 ILE QG1 84 ALA MB 5.80 (# 25594.1 Unique )
&rst
ixpk= 25594, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 538, 539,
igr2=1307,1308,1309,
&end
#
# 34 ILE MG2 112 LEU HN 6.00 (# 25605.1 Unique )
&rst
ixpk= 25605, nxpk= 0, iat= -1,1745, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 534, 535, 536,
&end
#
# 34 ILE MG2 35 LEU HA 4.50 (# 25608.1 Unique )
&rst
ixpk= 25608, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 534, 535, 536,
&end
#
# 34 ILE MD 80 TYR HE 4.60 (# 25611.1 Unique )
&rst
ixpk= 25611, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 541, 542, 543,
igr2=1240,1245,
&end
#
# 34 ILE MD 80 TYR HD 4.30 (# 25614.1 Unique )
&rst
ixpk= 25614, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 541, 542, 543,
igr2=1238,1247,
&end
#
# 34 ILE MD 88 ILE HN 5.80 (# 25617.1 Unique )
&rst
ixpk= 25617, nxpk= 0, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 541, 542, 543,
&end
#
# 34 ILE MD 35 LEU HN 6.00 (# 25620.1 Unique )
&rst
ixpk= 25620, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 541, 542, 543,
&end
#
# 34 ILE MD 84 ALA HN 6.00 (# 25623.1 Unique )
&rst
ixpk= 25623, nxpk= 0, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 541, 542, 543,
&end
#
# 34 ILE MD 34 ILE HA 4.70 (# 25626.1 Unique )
&rst
ixpk= 25626, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 541, 542, 543,
&end
#
# 34 ILE MD 17 ALA MB 5.20 (# 25629.1 Unique )
&rst
ixpk= 25629, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 541, 542, 543,
igr2= 279, 280, 281,
&end
#
# 35 LEU MD1 35 LEU HN 5.40 (# 25636.1 Unique )
&rst
ixpk= 25636, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 556, 557, 558,
&end
#
# 35 LEU QB 32 GLU HA 4.10 (# 25651.1 Unique )
&rst
ixpk= 25651, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 551, 552,
&end
#
# 35 LEU MD1 38 LEU HN 6.00 (# 25655.1 Unique )
&rst
ixpk= 25655, nxpk= 0, iat= -1, 592, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 556, 557, 558,
&end
#
# 35 LEU MD1 124 LEU HN 6.00 (# 25658.1 Unique )
&rst
ixpk= 25658, nxpk= 0, iat= -1,1927, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 556, 557, 558,
&end
#
# 76 GLN QB 76 GLN QE2 5.00 (# 25661.1 Unique )
&rst
ixpk= 25661, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1167,1168,
igr2=1175,1176,
&end
#
# 85 LYS QB 85 LYS QB 3.40 (# 25668.1 Unique )
#This appears to be self-referential: ignoring
#
# 30 GLY QA 83 ARG QB 4.30 (# 25682.1 Unique )
&rst
ixpk= 25682, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 477, 478,
igr2=1283,1284,
&end
#
# 30 GLY QA 31 THR HN 3.90 (# 25692.1 Unique )
&rst
ixpk= 25692, nxpk= 0, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 477, 478,
&end
#
# 78 ILE QG1 29 ILE MD 6.00 (# 25712.1 Unique )
&rst
ixpk= 25712, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1204,1205,
igr2= 469, 470, 471,
&end
#
# 10 ALA HA 13 VAL HB 6.00 (# 25716.1 Unique; orig = 4.30 )
&rst
ixpk= 25716, nxpk= 0, iat= 164, 215, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 GLN HA 14 LEU QB 3.50 (# 25719.1 Unique )
&rst
ixpk= 25719, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 231, 232,
&end
#
# 20 GLU HA 20 GLU QG 3.80 (# 25728.1 Unique )
&rst
ixpk= 25728, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 324, 325,
&end
#
# 20 GLU HA 23 ARG QB 4.50 (# 25732.1 Unique; orig = 3.60 )
&rst
ixpk= 25732, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 365, 366,
&end
#
# 20 GLU HA 23 ARG HN 4.00 (# 25736.1 Unique )
&rst
ixpk= 25736, nxpk= 0, iat= 319, 361, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 ASN HA 27 ASN QB 2.90 (# 25739.1 Unique )
&rst
ixpk= 25739, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 432, 433,
&end
#
# 27 ASN HA 78 ILE MD 2.60 (# 25743.1 Unique )
&rst
ixpk= 25743, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2=1207,1208,1209,
&end
#
# 49 ALA HA 0 AMB m:25746 2.80 (# 25746.1 Single Ambig [MB 52 QB 141] )
&rst
ixpk= 25746, nxpk= 0, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 806, 807, 808,2206,2207,
&end
#
# 57 SER HA 0 AMB m:25750 4.10 (# 25750.1 Single Ambig [HN 60 HN 59] )
&rst
ixpk= 25750, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 912, 890,
&end
#
# 57 SER HA 60 ILE HB 3.60 (# 25754.1 Unique )
&rst
ixpk= 25754, nxpk= 0, iat= 866, 916, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 57 SER HA 60 ILE QG1 5.80 (# 25757.1 Unique )
&rst
ixpk= 25757, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 922, 923,
&end
#
# 62 LYS HA 0 AMB m:25764 4.10 (# 25764.1 Single Ambig [HN 63 HN 66] )
&rst
ixpk= 25764, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 970,1016,
&end
#
# 62 LYS HA 0 AMB m:25768 4.30 (# 25768.1 Single Ambig [HN 65 HN 64] )
&rst
ixpk= 25768, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1001, 985,
&end
#
# 66 SER HA 65 GLU HN 6.00 (# 25778.1 Unique )
&rst
ixpk= 25778, nxpk= 0, iat=1018,1001, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 67 LEU HA 69 GLY HN 5.00 (# 25781.1 Unique )
&rst
ixpk= 25781, nxpk= 0, iat=1029,1065, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 68 ILE HA 67 LEU HN 6.00 (# 25784.1 Unique )
&rst
ixpk= 25784, nxpk= 0, iat=1048,1027, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 85 LYS HA 85 LYS QB 3.70 (# 25799.1 Unique )
&rst
ixpk= 25799, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1317,1318,
&end
#
# 85 LYS HA 88 ILE QG1 4.50 (# 25803.1 Unique )
&rst
ixpk= 25803, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1383,1384,
&end
#
# 85 LYS HA 88 ILE HB 3.40 (# 25807.1 Unique )
&rst
ixpk= 25807, nxpk= 0, iat=1315,1377, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 20 GLU HA 24 LEU HN 5.00 (# 25810.1 Unique )
&rst
ixpk= 25810, nxpk= 0, iat= 319, 385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 GLU HA 19 GLU HN 6.00 (# 25813.1 Unique )
&rst
ixpk= 25813, nxpk= 0, iat= 319, 302, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 91 SER HA 108 ILE HA 5.60 (# 25823.1 Unique )
&rst
ixpk= 25823, nxpk= 0, iat=1428,1683, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 91 SER HA 91 SER HG 4.00 (# 25826.1 Unique )
&rst
ixpk= 25826, nxpk= 0, iat=1428,1433, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 91 SER HA 107 HIS QB 4.10 (# 25829.1 Unique )
&rst
ixpk= 25829, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1668,1669,
&end
#
# 91 SER HA 111 GLY QA 4.70 (# 25833.1 Unique )
&rst
ixpk= 25833, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1740,1741,
&end
#
# 91 SER HA 94 GLU QB 4.10 (# 25837.1 Unique )
&rst
ixpk= 25837, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1470,1471,
&end
#
# 91 SER HA 94 GLU QG 4.50 (# 25841.1 Unique )
&rst
ixpk= 25841, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1473,1474,
&end
#
# 91 SER HA 110 LEU QB 5.70 (# 25845.1 Unique )
&rst
ixpk= 25845, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1723,1724,
&end
#
# 91 SER QB 108 ILE QG1 3.90 (# 25849.1 Unique )
&rst
ixpk= 25849, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1430,1431,
igr2=1691,1692,
&end
#
# 91 SER QB 91 SER HG 3.70 (# 25859.1 Unique )
&rst
ixpk= 25859, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1430,1431,
&end
#
# 91 SER QB 92 MET HN 4.00 (# 25868.1 Unique )
&rst
ixpk= 25868, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1430,1431,
&end
#
# 87 VAL MG1 112 LEU HN 3.50 (# 25875.1 Unique )
&rst
ixpk= 25875, nxpk= 0, iat= -1,1745, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1363,1364,1365,
&end
#
# 87 VAL MG1 88 ILE HN 4.10 (# 25881.1 Unique )
&rst
ixpk= 25881, nxpk= 0, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1363,1364,1365,
&end
#
# 6 PHE HA 0 AMB m:25884 4.90 (# 25884.1 Single Ambig [MB 10 QB 5] )
&rst
ixpk= 25884, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 166, 167, 168, 69, 70,
&end
#
# 6 PHE HA 6 PHE HD 4.50 (# 25892.1 Unique )
&rst
ixpk= 25892, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 97, 105,
&end
#
# 6 PHE HA 103 VAL HA 6.00 (# 25901.1 Unique )
&rst
ixpk= 25901, nxpk= 0, iat= 91,1614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 PHE HA 102 TYR QB 6.00 (# 25908.1 Unique )
&rst
ixpk= 25908, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1595,1596,
&end
#
# 10 ALA MB 8 GLU HN 6.00 (# 25917.1 Unique )
&rst
ixpk= 25917, nxpk= 0, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 166, 167, 168,
&end
#
# 15 ALA MB 14 LEU HN 5.60 (# 25926.1 Unique )
&rst
ixpk= 25926, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 250, 251, 252,
&end
#
# 15 ALA MB 19 GLU HN 6.00 (# 25929.1 Unique )
&rst
ixpk= 25929, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 250, 251, 252,
&end
#
# 15 ALA MB 0 AMB m:25932 4.30 (# 25932.1 Single Ambig [MD2 16 MD1 16] )
&rst
ixpk= 25932, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 250, 251, 252,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 15 ALA MB 16 LEU HG 4.30 (# 25937.1 Unique )
&rst
ixpk= 25937, nxpk= 0, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 250, 251, 252,
&end
#
# 15 ALA MB 18 GLN QB 4.70 (# 25940.1 Unique )
&rst
ixpk= 25940, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 250, 251, 252,
igr2= 289, 290,
&end
#
# 15 ALA MB 18 GLN QB 5.40 (# 25944.1 Unique )
&rst
ixpk= 25944, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 250, 251, 252,
igr2= 289, 290,
&end
#
# 15 ALA MB 16 LEU HA 4.30 (# 25948.1 Unique )
&rst
ixpk= 25948, nxpk= 0, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 250, 251, 252,
&end
#
# 139 LEU MD1 139 LEU HN 5.00 (# 25961.1 Unique )
&rst
ixpk= 25961, nxpk= 0, iat= -1,2166, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2175,2176,2177,
&end
#
# 45 ILE QG1 45 ILE HN 3.40 (# 25964.1 Unique )
&rst
ixpk= 25964, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 705, 706,
&end
#
# 45 ILE QG1 9 ARG QB 6.00 (# 25968.1 Unique; orig = 4.30 )
&rst
ixpk= 25968, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 705, 706,
igr2= 142, 143,
&end
#
# 142 LEU MD1 142 LEU HN 4.60 (# 25977.1 Unique )
&rst
ixpk= 25977, nxpk= 0, iat= -1,2221, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=2230,2231,2232,
&end
#
# 20 GLU QG 37 GLY HN 5.80 (# 25980.1 Unique )
&rst
ixpk= 25980, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 324, 325,
&end
#
# 20 GLU QG 21 ALA HN 6.00 (# 25984.1 Unique )
&rst
ixpk= 25984, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 324, 325,
&end
#
# 5 ARG QB 103 VAL MG2 6.00 (# 25988.1 Unique )
&rst
ixpk= 25988, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 69, 70,
igr2=1622,1623,1624,
&end
#
# 5 ARG QB 6 PHE HD 6.00 (# 25992.1 Unique )
&rst
ixpk= 25992, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 69, 70,
igr2= 97, 105,
&end
#
# 7 THR MG2 9 ARG HN 6.00 (# 25996.1 Unique )
&rst
ixpk= 25996, nxpk= 0, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 115, 116, 117,
&end
#
# 7 THR MG2 0 AMB m:25999 5.00 (# 25999.1 Single Ambig [HN 105 HN 103] )
&rst
ixpk= 25999, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 115, 116, 117,
igr2=1635,1612,
&end
#
# 7 THR MG2 10 ALA HN 5.40 (# 26003.1 Unique )
&rst
ixpk= 26003, nxpk= 0, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 115, 116, 117,
&end
#
# 7 THR MG2 8 GLU HN 5.00 (# 26009.1 Unique )
&rst
ixpk= 26009, nxpk= 0, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 115, 116, 117,
&end
#
# 3 PHE HA 3 PHE HD 4.30 (# 26012.1 Unique )
&rst
ixpk= 26012, nxpk= 0, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 46, 54,
&end
#
# 4 GLY QA 2 MET QB 5.60 (# 26019.1 Unique )
&rst
ixpk= 26019, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 60, 61,
igr2= 25, 26,
&end
#
# 65 GLU QG 62 LYS HA 5.80 (# 26025.1 Unique )
&rst
ixpk= 26025, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1008,1009,
&end
#
# 124 LEU MD2 125 ASN HN 6.00 (# 26042.1 Unique )
&rst
ixpk= 26042, nxpk= 0, iat= -1,1946, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1940,1941,1942,
&end
#
# 124 LEU MD2 125 ASN QD2 6.00 (# 26045.1 Unique )
&rst
ixpk= 26045, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1940,1941,1942,
igr2=1955,1956,
&end
#
# 124 LEU MD2 123 VAL HN 6.00 (# 26048.1 Unique )
&rst
ixpk= 26048, nxpk= 0, iat= -1,1911, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1940,1941,1942,
&end
#
# 124 LEU MD2 129 VAL HB 3.90 (# 26051.1 Unique )
&rst
ixpk= 26051, nxpk= 0, iat= -1,2004, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1940,1941,1942,
&end
#
# 46 ALA MB 109 LEU HN 4.50 (# 26054.1 Unique )
&rst
ixpk= 26054, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 718, 719, 720,
&end
#
# 74 MET QB 74 MET HN 4.50 (# 26057.1 Unique )
&rst
ixpk= 26057, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1139,1140,
&end
#
# 82 PRO QB 83 ARG QB 5.60 (# 26077.1 Unique )
&rst
ixpk= 26077, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1272,1273,
igr2=1283,1284,
&end
#
# 82 PRO QB 82 PRO QB 5.80 (# 26082.1 Unique )
#This appears to be self-referential: ignoring
#
# 70 ARG QB 69 GLY QA 6.00 (# 26106.1 Unique; orig = 5.20 )
&rst
ixpk= 26106, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1076,1077,
igr2=1067,1068,
&end
#
# 29 ILE MG2 30 GLY QA 4.30 (# 26110.1 Unique )
&rst
ixpk= 26110, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 462, 463, 464,
igr2= 477, 478,
&end
#
# 86 LYS QB 86 LYS HA 6.00 (# 26118.1 Unique )
&rst
ixpk= 26118, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1339,1340,
&end
#
# 86 LYS HA 86 LYS QB 4.80 (# 26122.1 Unique )
&rst
ixpk= 26122, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1339,1340,
&end
#
# 74 MET ME 74 MET HN 5.00 (# 26126.1 Unique )
&rst
ixpk= 26126, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1146,1147,1148,
&end
#
# 35 LEU MD2 35 LEU HA 4.80 (# 26144.1 Unique )
&rst
ixpk= 26144, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 560, 561, 562,
&end
#
# 82 PRO QB 81 THR HA 6.00 (# 26162.1 Unique; orig = 4.10 )
&rst
ixpk= 26162, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1272,1273,
&end
#
# 62 LYS QB 62 LYS HA 5.10 (# 26170.1 Unique )
&rst
ixpk= 26170, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 952, 953,
&end
#
# 62 LYS QB 63 GLU HN 6.00 (# 26178.1 Unique )
&rst
ixpk= 26178, nxpk= 0, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 952, 953,
&end
#
# 35 LEU MD2 123 VAL HN 6.00 (# 26182.1 Unique )
&rst
ixpk= 26182, nxpk= 0, iat= -1,1911, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 560, 561, 562,
&end
#
# 85 LYS QB 85 LYS HA 4.70 (# 26189.1 Unique )
&rst
ixpk= 26189, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1317,1318,
&end
#
# 85 LYS QB 80 TYR QB 5.00 (# 26197.1 Unique )
&rst
ixpk= 26197, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1317,1318,
igr2=1234,1235,
&end
#
# 59 LYS QB 127 LEU QB 4.50 (# 26220.1 Unique; orig = 3.90 )
&rst
ixpk= 26220, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 894, 895,
igr2=1978,1979,
&end
#
# 98 LEU MD2 0 AMB m:26223 3.80 (# 26223.1 Single Ambig [HG 139 QB 97 QB 139] )
&rst
ixpk= 26223, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1550,1551,1552,
igr2=2173,1519,1520,2170,2171,
&end
#
# 139 LEU MD1 0 AMB m:26228 2.50 (# 26228.1 Single Ambig [HG 139 QB 139] )
&rst
ixpk= 26228, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=2175,2176,2177,
igr2=2173,2170,2171,
&end
#
# 0 AMB m:26232a 0 AMB m:26232b 2.80 (# 26232.1 Double Ambig [MD1 16 MD2 38] [QB 16 MG1 13] )
&rst
ixpk= 26232, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 265, 266, 267, 605, 606, 607,
igr2= 260, 261, 217, 218, 219,
&end
#
# 120 ALA HA 0 AMB m:26236 3.00 (# 26236.1 Single Ambig [MD2 35 MG1 119 MG1 123] )
&rst
ixpk= 26236, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 560, 561, 562,1857,1858,1859,1917,1918,1919,
&end
#
# 26 HIS HA 0 AMB m:26241 3.30 (# 26241.1 Single Ambig [HN 27 HN 72] )
&rst
ixpk= 26241, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 428,1103,
&end
#
# 64 VAL MG2 0 AMB m:26245 6.00 (# 26245.1 Single Ambig [HG 36 QB 122 HG 127] )
&rst
ixpk= 26245, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 995, 996, 997,
igr2= 573,1891,1892,1981,
&end
#
# 64 VAL MG2 32 GLU QB 6.00 (# 26250.1 Unique )
&rst
ixpk= 26250, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 995, 996, 997,
igr2= 500, 501,
&end
#
# 127 LEU HA 0 AMB m:26253 3.50 (# 26253.1 Single Ambig [MD2 127 MD2 55]; orig = 2.80 )
&rst
ixpk= 26253, nxpk= 0, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1987,1988,1989, 851, 852, 853,
&end
#
# 142 LEU MD2 142 LEU HA 6.00 (# 26257.1 Unique )
&rst
ixpk= 26257, nxpk= 0, iat= -1,2223, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2234,2235,2236,
&end
#
# 110 LEU MD2 135 ARG HA 2.90 (# 26263.1 Unique )
&rst
ixpk= 26263, nxpk= 0, iat= -1,2094, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1732,1733,1734,
&end
#
# 0 AMB m:26266a 0 AMB m:26266b 2.80 (# 26266.1 Double Ambig [MD1 36 MD2 16 MD1 24] [HB 64 QB 16 QG 65 QB 61] )
&rst
ixpk= 26266, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 575, 576, 577, 269, 270, 271, 394, 395, 396,
igr2= 989, 260, 261,1008,1009, 935, 936,
&end
#
# 110 LEU MD2 0 AMB m:26280 3.10 (# 26280.1 Single Ambig [QB 110 QB 135 HG 139] )
&rst
ixpk= 26280, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1732,1733,1734,
igr2=1723,1724,2096,2097,2173,
&end
#
# 110 LEU MD2 135 ARG QB 4.50 (# 26285.1 Unique; orig = 3.10 )
&rst
ixpk= 26285, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1732,1733,1734,
igr2=2096,2097,
&end
#
# 64 VAL MG1 32 GLU QB 6.00 (# 26289.1 Unique )
&rst
ixpk= 26289, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 991, 992, 993,
igr2= 500, 501,
&end
#
# 109 LEU MD1 0 AMB m:26292 4.50 (# 26292.1 Single Ambig [QB 112 MB 134] )
&rst
ixpk= 26292, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1709,1710,1711,
igr2=1749,1750,2086,2087,2088,
&end
#
# 39 VAL MG1 0 AMB m:26296 2.30 (# 26296.1 Single Ambig [HA 57 QB 57] )
&rst
ixpk= 26296, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1= 617, 618, 619,
igr2= 866, 868, 869,
&end
#
# 39 VAL MG2 0 AMB m:26300 4.00 (# 26300.1 Single Ambig [HA 57 QB 57] )
&rst
ixpk= 26300, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 621, 622, 623,
igr2= 866, 868, 869,
&end
#
# 39 VAL MG1 0 AMB m:26304 6.00 (# 26304.1 Single Ambig [QG1 60 MD1 35] )
&rst
ixpk= 26304, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 617, 618, 619,
igr2= 922, 923, 556, 557, 558,
&end
#
# 39 VAL MG2 0 AMB m:26311 3.10 (# 26311.1 Single Ambig [MD1 35 QG1 60 MD1 36 MG1 123] )
&rst
ixpk= 26311, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 621, 622, 623,
igr2= 556, 557, 558, 922, 923, 575, 576, 577,1917,1918,
1919,
&end
#
# 123 VAL MG1 0 AMB m:26317 6.00 (# 26317.1 Single Ambig [MD2 124 MD1 124] )
&rst
ixpk= 26317, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1917,1918,1919,
igr2=1940,1941,1942,1936,1937,1938,
&end
#
# 45 ILE MG2 0 AMB m:26321 6.00 (# 26321.1 Single Ambig [MD2 142 MD1 141 MD1 142 MG2 138] )
&rst
ixpk= 26321, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 701, 702, 703,
igr2=2234,2235,2236,2211,2212,2213,2230,2231,2232,2160,
2161,2162,
&end
#
# 0 AMB m:26327a 0 AMB m:26327b 6.00 (# 26327.1 Double Ambig [MB 10 MB 84] [MD 108 MD 34 MG2 29] )
&rst
ixpk= 26327, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
igr1= 166, 167, 168,1307,1308,1309,
igr2=1694,1695,1696, 541, 542, 543, 462, 463, 464,
&end
#
# 29 ILE MG2 0 AMB m:26332 6.00 (# 26332.1 Single Ambig [MD2 112 MG1 87 MG2 13 MD1 38 MD2 36 MD 108] )
&rst
ixpk= 26332, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
igr1= 462, 463, 464,
igr2=1758,1759,1760,1363,1364,1365, 221, 222, 223, 601,
602, 603, 579, 580, 581,1694,1695,1696,
&end
#
# 29 ILE MG2 0 AMB m:26340 6.00 (# 26340.1 Single Ambig [MG2 78 MG2 34] )
&rst
ixpk= 26340, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 462, 463, 464,
igr2=1200,1201,1202, 534, 535, 536,
&end
#
# 88 ILE MG2 6 PHE HD 6.00 (# 26344.1 Unique )
&rst
ixpk= 26344, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1379,1380,1381,
igr2= 97, 105,
&end
#
# 47 ALA MB 0 AMB m:26347 6.00 (# 26347.1 Single Ambig [HA 48 QA 42] )
&rst
ixpk= 26347, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 728, 729, 730,
igr2= 736, 668, 669,
&end
#
# 47 ALA MB 42 GLY QA 6.00 (# 26351.1 Unique )
&rst
ixpk= 26351, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 728, 729, 730,
igr2= 668, 669,
&end
#
# 52 ALA MB 137 GLN QB 6.00 (# 26354.1 Unique )
&rst
ixpk= 26354, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 806, 807, 808,
igr2=2137,2138,
&end
#
# 60 ILE MG2 0 AMB m:26357 6.00 (# 26357.1 Single Ambig [MG2 64 MG1 39] )
&rst
ixpk= 26357, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 918, 919, 920,
igr2= 995, 996, 997, 617, 618, 619,
&end
#
# 49 ALA MB 0 AMB m:26361 6.00 (# 26361.1 Single Ambig [MD2 141 MG2 45] )
&rst
ixpk= 26361, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 760, 761, 762,
igr2=2215,2216,2217, 701, 702, 703,
&end
#
# 49 ALA MB 0 AMB m:26365 6.00 (# 26365.1 Single Ambig [MD2 109 MG1 138 MD1 53] )
&rst
ixpk= 26365, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.39, r4=10.89,
igr1= 760, 761, 762,
igr2=1713,1714,1715,2156,2157,2158, 821, 822, 823,
&end
#
# 113 ILE MD 0 AMB m:26370 3.10 (# 26370.1 Single Ambig [HA 110 HA 131] )
&rst
ixpk= 26370, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1777,1778,1779,
igr2=1721,2029,
&end
#
# 0 AMB m:26374a 0 AMB m:26374b 3.60 (# 26374.1 Double Ambig [MD 78 MD 60] [HG 22 QB 55 QB 22] )
&rst
ixpk= 26374, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1207,1208,1209, 925, 926, 927,
igr2= 349, 842, 843, 346, 347,
&end
#
# 0 AMB m:26379a 0 AMB m:26379b 3.60 (# 26379.1 Double Ambig [QB 23 QB 5] [QB 23 QB 5] )
#This appears to be self-referential: ignoring
#
# 133 LYS QB 133 LYS QB 3.00 (# 26383.1 Unique )
#This appears to be self-referential: ignoring
#
# 0 AMB m:26389a 0 AMB m:26389b 3.30 (# 26389.1 Double Ambig [QB 142 QB 24] [MD1 142 MD2 142 MD2 24] )
&rst
ixpk= 26389, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2225,2226, 389, 390,
igr2=2230,2231,2232,2234,2235,2236, 398, 399, 400,
&end
#
# 55 LEU QB 0 AMB m:26398 3.10 (# 26398.1 Single Ambig [MD1 55 MD2 55 QG1 60] )
&rst
ixpk= 26398, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 842, 843,
igr2= 847, 848, 849, 851, 852, 853, 922, 923,
&end
#
# 88 ILE MD 0 AMB m:26403 6.00 (# 26403.1 Single Ambig [MD 34 MD2 14 MG2 34] )
&rst
ixpk= 26403, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.39, r4=10.89,
igr1=1386,1387,1388,
igr2= 541, 542, 543, 240, 241, 242, 534, 535, 536,
&end
#
# 0 AMB m:26408a 0 AMB m:26408b 2.20 (# 26408.1 Double Ambig [QB 139 QB 110] [QB 139 QB 110] )
#This appears to be self-referential: ignoring
#
# 139 LEU QB 0 AMB m:26412 3.90 (# 26412.1 Single Ambig [MD1 139 MD2 139] )
&rst
ixpk= 26412, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=2170,2171,
igr2=2175,2176,2177,2179,2180,2181,
&end
#
# 0 AMB m:26416a 0 AMB m:26416b 3.30 (# 26416.1 Double Ambig [QB 139 QB 110] [MD1 139 MD1 110 MD2 139 MD2 142] )
&rst
ixpk= 26416, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=2170,2171,1723,1724,
igr2=2175,2176,2177,1728,1729,1730,2179,2180,2181,2234,
2235,2236,
&end
#
# 35 LEU QB 0 AMB m:26422 3.90 (# 26422.1 Single Ambig [MD1 112 MD2 35] )
&rst
ixpk= 26422, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 551, 552,
igr2=1754,1755,1756, 560, 561, 562,
&end
#
# 0 AMB m:26426a 0 AMB m:26426b 2.80 (# 26426.1 Double Ambig [QB 35 QB 109] [MD1 112 MD2 109 MD2 35 MD1 109] )
&rst
ixpk= 26426, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 551, 552,1704,1705,
igr2=1754,1755,1756,1713,1714,1715, 560, 561, 562,1709,
1710,1711,
&end
#
# 0 AMB m:26433a 0 AMB m:26433b 3.80 (# 26433.1 Double Ambig [QG 8 QG 58] [HA 8 HA 58] )
&rst
ixpk= 26433, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 130, 131, 882, 883,
igr2= 125, 877,
&end
#
# 0 AMB m:26437a 0 AMB m:26437b 3.50 (# 26437.1 Double Ambig [QG 19 QG 58] [HA 16 HA 58 HA 59] )
&rst
ixpk= 26437, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 309, 310, 882, 883,
igr2= 258, 877, 892,
&end
#
# 0 AMB m:26442a 0 AMB m:26442b 2.20 (# 26442.1 Double Ambig [QG 117 QG 43] [QG 117 QG 43] )
#This appears to be self-referential: ignoring
#
# 0 AMB m:26446a 0 AMB m:26446b 3.60 (# 26446.1 Double Ambig [HA 64 HA 13 HA 87] [HB 64 QG 41 QB 16 QB 86] )
&rst
ixpk= 26446, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 987, 213,1359,
igr2= 989, 658, 659, 260, 261,1339,1340,
&end
#
# 0 AMB m:26452a 0 AMB m:26452b 2.70 (# 26452.1 Double Ambig [QG 117 QG 43] [QB 117 QB 43] )
&rst
ixpk= 26452, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1836,1837, 680, 681,
igr2=1833,1834, 677, 678,
&end
#
# 0 AMB m:26456a 0 AMB m:26456b 2.70 (# 26456.1 Double Ambig [QG 43 QG 117] [QB 43 QB 117] )
&rst
ixpk= 26456, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 680, 681,1836,1837,
igr2= 677, 678,1833,1834,
&end
#
# 0 AMB m:26460a 0 AMB m:26460b 3.00 (# 26460.1 Double Ambig [HB 105 HB 31] [MD2 38 MD2 112 MG1 87] )
&rst
ixpk= 26460, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1639, 486,
igr2= 605, 606, 607,1758,1759,1760,1363,1364,1365,
&end
#
# 0 AMB m:26465a 0 AMB m:26465b 2.50 (# 26465.1 Double Ambig [HA 64 HA 87 HA 13] [MG1 119 MD1 90 MG1 87 MG1 64 MD1 67 MD1 16] )
&rst
ixpk= 26465, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 987,1359, 213,
igr2=1857,1858,1859,1416,1417,1418,1363,1364,1365, 991,
992, 993,1036,1037,1038, 265, 266, 267,
&end
#
# 0 AMB m:26473a 0 AMB m:26473b 3.00 (# 26473.1 Double Ambig [HB 34 HB 108] [MD 34 MD1 38 MD 108 QG1 34 MD2 38 MG1 87 MD1 112] )
&rst
ixpk= 26473, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 532,1685,
igr2= 541, 542, 543, 601, 602, 603,1694,1695,1696, 538,
539, 605, 606, 607,1363,1364,1365,1754,1755,1756,
&end
#
# 0 AMB m:26482a 0 AMB m:26482b 2.90 (# 26482.1 Double Ambig [HB 108 HB 34] [MG2 108 MG2 34 MD 34 QG1 34 MD1 112] )
&rst
ixpk= 26482, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1685, 532,
igr2=1687,1688,1689, 534, 535, 536, 541, 542, 543, 538,
539,1754,1755,1756,
&end
#
# 0 AMB m:26489a 0 AMB m:26489b 2.20 (# 26489.1 Double Ambig [QG 89 QG 41] [QG 89 QG 41] )
#This appears to be self-referential: ignoring
#
# 0 AMB m:26493a 0 AMB m:26493b 2.90 (# 26493.1 Double Ambig [QG 41 QG 115] [QB 41 QB 115] )
&rst
ixpk= 26493, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 658, 659,1814,1815,
igr2= 655, 656,1811,1812,
&end
#
# 34 ILE HA 0 AMB m:26505 3.00 (# 26505.1 Single Ambig [MG2 34 QG1 34 MD 34 MD2 14] )
&rst
ixpk= 26505, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 534, 535, 536, 538, 539, 541, 542, 543, 240, 241,
242,
&end
#
# 63 GLU QG 0 AMB m:26515 6.00 (# 26515.1 Single Ambig [MD2 127 MG1 123] )
&rst
ixpk= 26515, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 977, 978,
igr2=1987,1988,1989,1917,1918,1919,
&end
#
# 60 ILE HA 0 AMB m:26519 3.00 (# 26519.1 Single Ambig [QG1 60 MG1 123] )
&rst
ixpk= 26519, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 922, 923,1917,1918,1919,
&end
#
# 0 AMB m:26523a 0 AMB m:26523b 2.20 (# 26523.1 Double Ambig [QB 136 QB 51 QB 140] [QB 136 QB 51 QB 140] )
#This appears to be self-referential: ignoring
#
# 0 AMB m:26528a 0 AMB m:26528b 2.50 (# 26528.1 Double Ambig [QB 136 QB 140] [QB 136 QB 140] )
#This appears to be self-referential: ignoring
#
# 0 AMB m:26533a 0 AMB m:26533b 3.00 (# 26533.1 Double Ambig [QB 117 QB 92] [QG 117 QB 92] )
#This appears to be self-referential: ignoring
#
# 0 AMB m:26544a 0 AMB m:26544b 2.20 (# 26544.1 Double Ambig [QB 107 QB 33] [QB 107 QB 33] )
#This appears to be self-referential: ignoring
#
# 0 AMB m:26552a 0 AMB m:26552b 2.80 (# 26552.1 Double Ambig [HB 87 HB 13] [MG1 87 MG2 13 MD2 38 MD2 112] )
&rst
ixpk= 26552, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1361, 215,
igr2=1363,1364,1365, 221, 222, 223, 605, 606, 607,1758,
1759,1760,
&end
#
# 76 GLN QB 76 GLN QB 2.90 (# 26558.1 Unique )
#This appears to be self-referential: ignoring
#
# 83 ARG QB 86 LYS QB 4.80 (# 26561.1 Unique )
&rst
ixpk= 26561, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1283,1284,
igr2=1339,1340,
&end
#
# 0 AMB m:26564a 0 AMB m:26564b 2.20 (# 26564.1 Double Ambig [QB 41 QB 115] [QB 41 QB 115] )
#This appears to be self-referential: ignoring
#
# 0 AMB m:26576a 0 AMB m:26576b 2.80 (# 26576.1 Double Ambig [HA 23 HA 122 HA 96] [QB 23 QB 122 QB 96] )
&rst
ixpk= 26576, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 363,1889,1493,
igr2= 365, 366,1891,1892,1495,1496,
&end
#
# 0 AMB m:26581a 0 AMB m:26581b 3.40 (# 26581.1 Double Ambig [HA 96 HA 23] [QB 96 QB 23] )
&rst
ixpk= 26581, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=1493, 363,
igr2=1495,1496, 365, 366,
&end
#
# 0 AMB m:26585a 0 AMB m:26585b 2.80 (# 26585.1 Double Ambig [QB 63 QB 65] [MG1 123 MD1 24 MD2 127 MD1 67] )
&rst
ixpk= 26585, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 974, 975,1005,1006,
igr2=1917,1918,1919, 394, 395, 396,1987,1988,1989,1036,
1037,1038,
&end
#
# 34 ILE QG1 0 AMB m:26591 2.20 (# 26591.1 Single Ambig [QG1 34 MG2 29 MD 34] )
#This appears to be self-referential: ignoring
#
# 60 ILE QG1 60 ILE QG1 2.20 (# 26596.1 Unique )
#This appears to be self-referential: ignoring
#
# 136 GLN QB 136 GLN HA 3.10 (# 26599.1 Unique )
&rst
ixpk= 26599, nxpk= 0, iat= -1,2118, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=2120,2121,
&end
#
# 0 AMB m:26602a 0 AMB m:26602b 2.80 (# 26602.1 Double Ambig [QB 82 QB 136 QB 140] [QB 82 QB 136 QB 140] )
#This appears to be self-referential: ignoring
#
# 0 AMB m:26607a 0 AMB m:26607b 2.40 (# 26607.1 Double Ambig [QB 140 QB 136] [QB 140 QB 136] )
#This appears to be self-referential: ignoring
#
# 0 AMB m:26611a 0 AMB m:26611b 3.10 (# 26611.1 Double Ambig [HA 86 HA 20] [QB 86 QB 20 QB 89] )
&rst
ixpk= 26611, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1337, 319,
igr2=1339,1340, 321, 322,1396,1397,
&end
#
# 20 GLU HA 0 AMB m:26616 4.50 (# 26616.1 Single Ambig [QB 23 QG 20]; orig = 3.40 )
&rst
ixpk= 26616, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 365, 366, 324, 325,
&end
#
# 0 AMB m:26620a 0 AMB m:26620b 2.20 (# 26620.1 Double Ambig [QB 82 QB 18] [QB 82 QB 18] )
#This appears to be self-referential: ignoring
#
# 0 AMB m:26624a 0 AMB m:26624b 2.90 (# 26624.1 Double Ambig [HA 40 HA 139] [QB 40 QB 139 HG 142 QB 142 HG 139] )
&rst
ixpk= 26624, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 629,2168,
igr2= 631, 632,2170,2171,2228,2225,2226,2173,
&end
#
# 94 GLU HA 97 LYS QB 3.50 (# 26631.1 Unique; orig = 3.00 )
&rst
ixpk= 26631, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1519,1520,
&end
#
# 94 GLU HA 97 LYS QB 4.70 (# 26634.1 Unique )
&rst
ixpk= 26634, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1519,1520,
&end
#
# 0 AMB m:26638a 0 AMB m:26638b 2.80 (# 26638.1 Double Ambig [HA 114 HA 110 HA 50] [QB 114 QB 110 QB 50] )
&rst
ixpk= 26638, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1785,1721, 768,
igr2=1787,1788,1723,1724, 770, 771,
&end
#
# 61 GLN QB 0 AMB m:26644 4.10 (# 26644.1 Single Ambig [QB 62 HG 36] )
&rst
ixpk= 26644, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 935, 936,
igr2= 952, 953, 573,
&end
#
# 86 LYS QB 86 LYS QB 2.20 (# 26649.1 Unique )
#This appears to be self-referential: ignoring
#
# 59 LYS HA 0 AMB m:26652 3.30 (# 26652.1 Single Ambig [QB 62 QB 59] )
&rst
ixpk= 26652, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 952, 953, 894, 895,
&end
#
# 106 GLU HA 46 ALA MB 2.80 (# 26656.1 Unique )
&rst
ixpk= 26656, nxpk= 0, iat=1651, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 718, 719, 720,
&end
#
# 86 LYS QB 86 LYS QB 3.30 (# 26659.1 Unique )
#This appears to be self-referential: ignoring
#
# 0 AMB m:26662a 0 AMB m:26662b 2.50 (# 26662.1 Double Ambig [HA 36 HA 35] [MD1 36 MD1 38 MD1 35] )
&rst
ixpk= 26662, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 568, 549,
igr2= 575, 576, 577, 601, 602, 603, 556, 557, 558,
&end
#
# 109 LEU HA 0 AMB m:26667 2.30 (# 26667.1 Single Ambig [MD1 112 MD1 109 MD1 38] )
&rst
ixpk= 26667, nxpk= 0, iat=1702, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2=1754,1755,1756,1709,1710,1711, 601, 602, 603,
&end
#
# 0 AMB m:26672a 0 AMB m:26672b 3.40 (# 26672.1 Double Ambig [HA 110 HA 50] [MD 113 MD1 50] )
&rst
ixpk= 26672, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1721, 768,
igr2=1777,1778,1779, 775, 776, 777,
&end
#
# 124 LEU HA 0 AMB m:26676 3.60 (# 26676.1 Single Ambig [MD1 55 MG1 123 MD2 55 MG2 129 MD2 127 MD2 35] )
&rst
ixpk= 26676, nxpk= 0, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 847, 848, 849,1917,1918,1919, 851, 852, 853,2010,
2011,2012,1987,1988,1989, 560, 561, 562,
&end
#
# 32 GLU HA 0 AMB m:26684 3.60 (# 26684.1 Single Ambig [MG1 64 MG1 119 MD 68] )
&rst
ixpk= 26684, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 991, 992, 993,1857,1858,1859,1059,1060,1061,
&end
#
# 0 AMB m:26692a 0 AMB m:26692b 3.30 (# 26692.1 Double Ambig [QB 106 QB 32] [HA 106 HA 32] )
&rst
ixpk= 26692, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1653,1654, 500, 501,
igr2=1651, 498,
&end
#
# 0 AMB m:26696a 0 AMB m:26696b 3.40 (# 26696.1 Double Ambig [HG 22 QB 122 QB 96] [HA 19 HA 122 HA 96] )
&rst
ixpk= 26696, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 349,1891,1892,1495,1496,
igr2= 304,1889,1493,
&end
#
# 0 AMB m:26705a 0 AMB m:26705b 2.80 (# 26705.1 Double Ambig [QB 122 QB 96] [QB 122 QB 96] )
#This appears to be self-referential: ignoring
#
# 0 AMB m:26710a 0 AMB m:26710b 3.00 (# 26710.1 Double Ambig [HA 137 HA 40] [QB 137 QB 140 HB 39] )
&rst
ixpk= 26710, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=2135, 629,
igr2=2137,2138,2189,2190, 615,
&end
#
# 0 AMB m:26719a 0 AMB m:26719b 3.60 (# 26719.1 Double Ambig [HA 22 HA 14] [QB 22 QB 14] )
&rst
ixpk= 26719, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 344, 229,
igr2= 346, 347, 231, 232,
&end
#
# 0 AMB m:26723a 0 AMB m:26723b 3.40 (# 26723.1 Double Ambig [HG 98 HG 67] [QB 98 QB 67] )
&rst
ixpk= 26723, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=1544,1034,
igr2=1541,1542,1031,1032,
&end
#
# 112 LEU MD1 0 AMB m:26727 6.00 (# 26727.1 Single Ambig [MB 120 QB 109] )
&rst
ixpk= 26727, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1754,1755,1756,
igr2=1871,1872,1873,1704,1705,
&end
#
# 35 LEU HG 0 AMB m:26731 2.80 (# 26731.1 Single Ambig [MD2 35 MG2 60] )
&rst
ixpk= 26731, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 560, 561, 562, 918, 919, 920,
&end
#
# 142 LEU MD1 0 AMB m:26735 4.90 (# 26735.1 Single Ambig [HA 139 QA 143] )
&rst
ixpk= 26735, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=2230,2231,2232,
igr2=2168,2242,2243,
&end
#
# 67 LEU MD1 0 AMB m:26739 6.00 (# 26739.1 Single Ambig [HA 64 HA 119] )
&rst
ixpk= 26739, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1036,1037,1038,
igr2= 987,1853,
&end
#
# 76 GLN HA 76 GLN QB 3.80 (# 26743.1 Unique )
&rst
ixpk= 26743, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1167,1168,
&end
#
# 76 GLN HA 76 GLN QB 3.10 (# 26746.1 Unique )
&rst
ixpk= 26746, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1167,1168,
&end
#
# 76 GLN HA 76 GLN QB 3.50 (# 26749.1 Unique )
&rst
ixpk= 26749, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1167,1168,
&end
#
# 0 AMB m:26752a 0 AMB m:26752b 3.10 (# 26752.1 Double Ambig [HG 36 HG 53 HG 142 HG 127] [QB 36 QB 53 QB 142 QB 127] )
&rst
ixpk= 26752, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 573, 819,2228,1981,
igr2= 570, 571, 816, 817,2225,2226,1978,1979,
&end
#
# 109 LEU MD2 0 AMB m:26764 6.00 (# 26764.1 Single Ambig [HB 45 QB 110 QB 135 HG 139 QB 142 HG 53 QB 53 QB 139 QB 50] )
&rst
ixpk= 26764, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.32, r4=11.82,
igr1=1713,1714,1715,
igr2= 699,1723,1724,2096,2097,2173,2225,2226, 819, 816,
817,2170,2171, 770, 771,
&end
#
# 109 LEU MD2 0 AMB m:26775 2.50 (# 26775.1 Single Ambig [MB 46 HG 109 QB 109] )
&rst
ixpk= 26775, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1713,1714,1715,
igr2= 718, 719, 720,1707,1704,1705,
&end
#
# 35 LEU MD2 0 AMB m:26780 6.00 (# 26780.1 Single Ambig [MG2 64 MG2 123] )
&rst
ixpk= 26780, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 560, 561, 562,
igr2= 995, 996, 997,1921,1922,1923,
&end
#
# 109 LEU MD2 0 AMB m:26784 6.00 (# 26784.1 Single Ambig [MB 49 MB 134] )
&rst
ixpk= 26784, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1713,1714,1715,
igr2= 760, 761, 762,2086,2087,2088,
&end
#
# 142 LEU HA 0 AMB m:26788 6.00 (# 26788.1 Single Ambig [MD2 142 MD1 142] )
&rst
ixpk= 26788, nxpk= 0, iat=2223, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=2234,2235,2236,2230,2231,2232,
&end
#
# 0 AMB m:26792a 0 AMB m:26792b 2.50 (# 26792.1 Double Ambig [HG 16 HG 142 HG 127 HG 36] [MD2 16 MD2 142 MD1 16 MD2 127 MD1 36] )
&rst
ixpk= 26792, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 263,2228,1981, 573,
igr2= 269, 270, 271,2234,2235,2236, 265, 266, 267,1987,
1988,1989, 575, 576, 577,
&end
#
# 0 AMB m:26799a 0 AMB m:26799b 2.70 (# 26799.1 Double Ambig [HG 53 HG 127] [MD1 53 MD1 127] )
&rst
ixpk= 26799, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1= 819,1981,
igr2= 821, 822, 823,1983,1984,1985,
&end
#
# 55 LEU MD1 0 AMB m:26803 6.00 (# 26803.1 Single Ambig [MD2 124 MD1 50] )
&rst
ixpk= 26803, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 847, 848, 849,
igr2=1940,1941,1942, 775, 776, 777,
&end
#
# 0 AMB m:26807a 0 AMB m:26807b 2.80 (# 26807.1 Double Ambig [QB 59 QB 62] [QB 59 QB 62] )
#This appears to be self-referential: ignoring
#
# 94 GLU HA 0 AMB m:26812 6.00 (# 26812.1 Single Ambig [MD1 110 MD2 139 MD2 98] )
&rst
ixpk= 26812, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2=1728,1729,1730,2179,2180,2181,1550,1551,1552,
&end
#
# 94 GLU HA 97 LYS QB 5.10 (# 26817.1 Unique )
&rst
ixpk= 26817, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1519,1520,
&end
#
# 94 GLU HA 97 LYS QB 5.00 (# 26820.1 Unique )
&rst
ixpk= 26820, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1519,1520,
&end
#
# 92 MET ME 3 PHE HD 6.00 (# 26826.1 Unique; orig = 5.40 )
&rst
ixpk= 26826, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1448,1449,1450,
igr2= 46, 54,
&end
#
# 67 LEU HA 0 AMB m:26832 6.00 (# 26832.1 Single Ambig [MG2 123 MG2 68] )
&rst
ixpk= 26832, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1921,1922,1923,1052,1053,1054,
&end
#
# 67 LEU MD2 67 LEU QB 6.00 (# 26836.1 Unique )
&rst
ixpk= 26836, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1040,1041,1042,
igr2=1031,1032,
&end
#
# 22 LEU MD2 0 AMB m:26843 6.00 (# 26843.1 Single Ambig [HN 28 HN 19] )
&rst
ixpk= 26843, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 355, 356, 357,
igr2= 442, 302,
&end
#
# 108 ILE MD 109 LEU HN 6.00 (# 26854.1 Unique )
&rst
ixpk= 26854, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1694,1695,1696,
&end
#
# 108 ILE MD 0 AMB m:26857 4.90 (# 26857.1 Single Ambig [MG2 105 HB 103] )
&rst
ixpk= 26857, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1694,1695,1696,
igr2=1641,1642,1643,1616,
&end
#
# 108 ILE MD 14 LEU HG 6.00 (# 26861.1 Unique )
&rst
ixpk= 26861, nxpk= 0, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1694,1695,1696,
&end
#
# 0 AMB m:26864a 0 AMB m:26864b 2.50 (# 26864.1 Double Ambig [MD 34 MD 108] [QG1 34 QG1 108] )
&rst
ixpk= 26864, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 541, 542, 543,1694,1695,1696,
igr2= 538, 539,1691,1692,
&end
#
# 34 ILE MD 87 VAL HB 3.80 (# 26872.1 Unique )
&rst
ixpk= 26872, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 541, 542, 543,
&end
#
# 108 ILE MD 105 THR HB 6.00 (# 26881.1 Unique )
&rst
ixpk= 26881, nxpk= 0, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1694,1695,1696,
&end
#
# 4 GLY QA 6 PHE HD 6.00 (# 26884.1 Unique )
&rst
ixpk= 26884, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 60, 61,
igr2= 97, 105,
&end
#
# 9 ARG HA 0 AMB m:26891 5.20 (# 26891.1 Single Ambig [QB 12 MB 47 MB 15] )
&rst
ixpk= 26891, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr2= 193, 194, 728, 729, 730, 250, 251, 252,
&end
#
# 143 GLY QA 142 LEU QB 6.00 (# 26896.1 Unique )
&rst
ixpk= 26896, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2242,2243,
igr2=2225,2226,
&end
#
# 143 GLY QA 142 LEU HG 6.00 (# 26899.1 Unique )
&rst
ixpk= 26899, nxpk= 0, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2242,2243,
&end
#
# 86 LYS QB 86 LYS HA 3.90 (# 26902.1 Unique )
&rst
ixpk= 26902, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1339,1340,
&end
#
# 86 LYS QB 86 LYS QB 4.60 (# 26905.1 Unique )
#This appears to be self-referential: ignoring
#
# 86 LYS QB 90 LEU MD1 6.00 (# 26908.1 Unique )
&rst
ixpk= 26908, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1339,1340,
igr2=1416,1417,1418,
&end
#
# 86 LYS QB 0 AMB m:26911 6.00 (# 26911.1 Single Ambig [HN 87 HN 89] )
&rst
ixpk= 26911, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1339,1340,
igr2=1357,1392,
&end
#
# 0 AMB m:26915a 0 AMB m:26915b 4.80 (# 26915.1 Double Ambig [MD2 53 MG2 138 MD1 141] [HA 137 QA 143 HA 139] )
&rst
ixpk= 26915, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.72, r4= 9.22,
igr1= 825, 826, 827,2160,2161,2162,2211,2212,2213,
igr2=2135,2242,2243,2168,
&end
#
# 0 AMB m:26921a 0 AMB m:26921b 5.40 (# 26921.1 Double Ambig [MD1 141 MG2 138] [HN 144 HN 140 HN 145] )
&rst
ixpk= 26921, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.74, r4= 9.24,
igr1=2211,2212,2213,2160,2161,2162,
igr2=2247,2185,2258,
&end
#
# 138 VAL MG2 0 AMB m:26927 4.30 (# 26927.1 Single Ambig [HN 137 HN 136] )
&rst
ixpk= 26927, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=2160,2161,2162,
igr2=2133,2116,
&end
#
# 0 AMB m:26931 137 GLN QE2 5.40 (# 26931.1 Single Ambig [MD1 141 MD2 53] )
&rst
ixpk= 26931, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1=2211,2212,2213, 825, 826, 827,
igr2=2145,2146,
&end
#
# 0 AMB m:26935 137 GLN QE2 5.00 (# 26935.1 Single Ambig [MD1 141 MD2 53] )
&rst
ixpk= 26935, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2211,2212,2213, 825, 826, 827,
igr2=2145,2146,
&end
#
# 109 LEU MD1 0 AMB m:26939 5.60 (# 26939.1 Single Ambig [HN 113 HN 110] )
&rst
ixpk= 26939, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1709,1710,1711,
igr2=1764,1719,
&end
#
# 139 LEU MD2 107 HIS HE1 6.00 (# 26943.1 Unique; orig = 5.20 )
&rst
ixpk= 26943, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2179,2180,2181,
&end
#
# 0 AMB m:26949a 0 AMB m:26949b 6.00 (# 26949.1 Double Ambig [MD1 24 MD1 98] [HN 68 HN 24 HE1 107] )
&rst
ixpk= 26949, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 394, 395, 396,1546,1547,1548,
igr2=1046, 385,1673,
&end
#
# 109 LEU MD1 0 AMB m:26954 6.00 (# 26954.1 Single Ambig [HN 35 HN 50 HN 46] )
&rst
ixpk= 26954, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1709,1710,1711,
igr2= 547, 766, 714,
&end
#
# 0 AMB m:26959a 0 AMB m:26959b 5.50 (# 26959.1 Double Ambig [MD1 36 MD1 24] [HN 61 HN 37 HN 71] )
&rst
ixpk= 26959, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 575, 576, 577, 394, 395, 396,
igr2= 931, 585,1096,
&end
#
# 0 AMB m:26964a 0 AMB m:26964b 5.40 (# 26964.1 Double Ambig [MD1 36 MD1 24] [HN 65 HN 64] )
&rst
ixpk= 26964, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1= 575, 576, 577, 394, 395, 396,
igr2=1001, 985,
&end
#
# 0 AMB m:26972a 0 AMB m:26972b 5.40 (# 26972.1 Double Ambig [HA 63 HA 140] [MG2 123 MD1 142 MG2 64] )
&rst
ixpk= 26972, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.74, r4= 9.24,
igr1= 972,2187,
igr2=1921,1922,1923,2230,2231,2232, 995, 996, 997,
&end
#
# 63 GLU HA 0 AMB m:26977 5.20 (# 26977.1 Single Ambig [MG1 123 MD1 67 MD2 127 MD2 67] )
&rst
ixpk= 26977, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr2=1917,1918,1919,1036,1037,1038,1987,1988,1989,1040,
1041,1042,
&end
#
# 0 AMB m:26983a 0 AMB m:26983b 5.20 (# 26983.1 Double Ambig [QB 11 QB 140 QB 136] [MG2 13 MD2 142 MD1 139 MG2 138 MD 108 MD1 141 MD2 141] )
&rst
ixpk= 26983, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
igr1= 176, 177,2189,2190,2120,2121,
igr2= 221, 222, 223,2234,2235,2236,2175,2176,2177,2160,
2161,2162,1694,1695,1696,2211,2212,2213,2215,2216,
2217,
&end
#
# 0 AMB m:26992a 0 AMB m:26992b 5.80 (# 26992.1 Double Ambig [QB 140 QB 136] [QB 141 QB 139] )
&rst
ixpk= 26992, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.21, r4= 9.71,
igr1=2189,2190,2120,2121,
igr2=2206,2207,2170,2171,
&end
#
# 0 AMB m:26997a 0 AMB m:26997b 6.00 (# 26997.1 Double Ambig [QB 11 QB 136] [QB 12 MB 10 QB 135] )
&rst
ixpk= 26997, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1= 176, 177,2120,2121,
igr2= 193, 194, 166, 167, 168,2096,2097,
&end
#
# 0 AMB m:27002a 0 AMB m:27002b 5.20 (# 27002.1 Double Ambig [QB 136 QB 140] [QB 135 QB 139 HG 142] )
&rst
ixpk= 27002, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,
igr1=2120,2121,2189,2190,
igr2=2096,2097,2170,2171,2228,
&end
#
# 0 AMB m:27008a 0 AMB m:27008b 5.20 (# 27008.1 Double Ambig [QB 136 QB 11] [QB 135 HG 14 QB 12 HG 139 QB 14] )
&rst
ixpk= 27008, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77,
igr1=2120,2121, 176, 177,
igr2=2096,2097, 234, 193, 194,2173, 231, 232,
&end
#
# 0 AMB m:27015a 0 AMB m:27015b 6.00 (# 27015.1 Double Ambig [QB 11 QB 140] [HA 12 HA 141] )
&rst
ixpk= 27015, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 176, 177,2189,2190,
igr2= 191,2204,
&end
#
# 0 AMB m:27019a 0 AMB m:27019b 5.30 (# 27019.1 Double Ambig [HA 138 HA 13 HA 87] [QB 106 HG 141 HG 14 QB 114 HG 112] )
&rst
ixpk= 27019, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
igr1=2152, 213,1359,
igr2=1653,1654,2209, 234,1787,1788,1752,
&end
#
# 0 AMB m:27026a 0 AMB m:27026b 4.20 (# 27026.1 Double Ambig [HA 13 HA 87 HA 138] [QB 41 HG 90 QB 115 HG 16 QB 40 QB 142] )
&rst
ixpk= 27026, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 213,1359,2152,
igr2= 655, 656,1414,1811,1812, 263, 631, 632,2225,2226,
&end
#
# 0 AMB m:27034a 0 AMB m:27034b 4.00 (# 27034.1 Double Ambig [QB 86 QB 12] [QB 86 QB 12] )
#This appears to be self-referential: ignoring
#
# 0 AMB m:27038a 0 AMB m:27038b 4.30 (# 27038.1 Double Ambig [HB 138 QB 12] [HG 139 QB 41 HG 16 QB 139] )
&rst
ixpk= 27038, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=2154, 193, 194,
igr2=2173, 655, 656, 263,2170,2171,
&end
#
# 138 VAL MG2 135 ARG HN 6.00 (# 27044.1 Unique )
&rst
ixpk= 27044, nxpk= 0, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2160,2161,2162,
&end
#
# 0 AMB m:27050a 0 AMB m:27050b 5.40 (# 27050.1 Double Ambig [QB 140 QB 51] [HA 141 QA 56] )
&rst
ixpk= 27050, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1=2189,2190, 789, 790,
igr2=2204, 859, 860,
&end
#
# 0 AMB m:27062a 0 AMB m:27062b 3.00 (# 27062.1 Double Ambig [QB 23 QB 135] [QB 23 QB 135] )
#This appears to be self-referential: ignoring
#
# 135 ARG QB 0 AMB m:27067 4.30 (# 27067.1 Single Ambig [MD1 110 MD1 139] )
&rst
ixpk= 27067, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=2096,2097,
igr2=1728,1729,1730,2175,2176,2177,
&end
#
# 135 ARG QB 0 AMB m:27074 6.00 (# 27074.1 Single Ambig [HA 110 HA 136] )
&rst
ixpk= 27074, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2096,2097,
igr2=1721,2118,
&end
#
# 0 AMB m:27078a 0 AMB m:27078b 4.10 (# 27078.1 Double Ambig [HA 47 HA 134] [MG1 39 MD2 53 MG2 138] )
&rst
ixpk= 27078, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 726,2084,
igr2= 617, 618, 619, 825, 826, 827,2160,2161,2162,
&end
#
# 134 ALA MB 0 AMB m:27086 6.00 (# 27086.1 Single Ambig [HG 109 QB 109] )
&rst
ixpk= 27086, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2086,2087,2088,
igr2=1707,1704,1705,
&end
#
# 134 ALA MB 0 AMB m:27090 5.00 (# 27090.1 Single Ambig [QB 133 QB 135] )
&rst
ixpk= 27090, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2086,2087,2088,
igr2=2064,2065,2096,2097,
&end
#
# 134 ALA MB 0 AMB m:27094 6.00 (# 27094.1 Single Ambig [HA 133 HA 137] )
&rst
ixpk= 27094, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2086,2087,2088,
igr2=2062,2135,
&end
#
# 134 ALA MB 0 AMB m:27098 6.00 (# 27098.1 Single Ambig [HN 110 QE2 136 HN 53] )
&rst
ixpk= 27098, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2086,2087,2088,
igr2=1719,2128,2129, 812,
&end
#
# 134 ALA MB 0 AMB m:27103 5.40 (# 27103.1 Single Ambig [HN 136 HN 137] )
&rst
ixpk= 27103, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=2086,2087,2088,
igr2=2116,2133,
&end
#
# 76 GLN HA 0 AMB m:27107 6.00 (# 27107.1 Single Ambig [MD2 22 MD1 22] )
&rst
ixpk= 27107, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 355, 356, 357, 351, 352, 353,
&end
#
# 132 ASN QB 0 AMB m:27111 6.00 (# 27111.1 Single Ambig [QB 130 HA 131 HA 136] )
&rst
ixpk= 27111, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2050,2051,
igr2=2020,2021,2029,2118,
&end
#
# 132 ASN QB 0 AMB m:27116 6.00 (# 27116.1 Single Ambig [QB 131 QB 133] )
&rst
ixpk= 27116, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2050,2051,
igr2=2031,2032,2064,2065,
&end
#
# 129 VAL HA 0 AMB m:27127 6.00 (# 27127.1 Single Ambig [MD2 53 MG2 113] )
&rst
ixpk= 27127, nxpk= 0, iat=2002, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 825, 826, 827,1770,1771,1772,
&end
#
# 129 VAL MG2 55 LEU HG 6.00 (# 27131.1 Unique )
&rst
ixpk= 27131, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2010,2011,2012,
&end
#
# 0 AMB m:27134a 0 AMB m:27134b 4.00 (# 27134.1 Double Ambig [MG1 119 MG2 129] [HA 32 HA 124] )
&rst
ixpk= 27134, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1857,1858,1859,2010,2011,2012,
igr2= 498,1929,
&end
#
# 129 VAL MG2 0 AMB m:27138 6.00 (# 27138.1 Single Ambig [HN 55 HN 124 HN 51] )
&rst
ixpk= 27138, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2010,2011,2012,
igr2= 838,1927, 785,
&end
#
# 129 VAL MG1 0 AMB m:27143 6.00 (# 27143.1 Single Ambig [HN 137 HN 136] )
&rst
ixpk= 27143, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2006,2007,2008,
igr2=2133,2116,
&end
#
# 127 LEU HA 0 AMB m:27147 5.60 (# 27147.1 Single Ambig [MD1 127 MD1 55] )
&rst
ixpk= 27147, nxpk= 0, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr2=1983,1984,1985, 847, 848, 849,
&end
#
# 127 LEU QB 0 AMB m:27151 5.80 (# 27151.1 Single Ambig [HA 124 QA 128] )
&rst
ixpk= 27151, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1978,1979,
igr2=1929,1995,1996,
&end
#
# 142 LEU HG 139 LEU HA 4.80 (# 27155.1 Unique )
&rst
ixpk= 27155, nxpk= 0, iat=2228,2168, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 0 AMB m:27164a 0 AMB m:27164b 6.00 (# 27164.1 Double Ambig [HG 36 HG 142 HG 127] [QE2 61 HN 143 HN 128] )
&rst
ixpk= 27164, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 573,2228,1981,
igr2= 943, 944,2240,1993,
&end
#
# 0 AMB m:27169a 0 AMB m:27169b 5.80 (# 27169.1 Double Ambig [HG 16 HG 142 HG 127] [HN 15 HN 140 HN 145 HN 124] )
&rst
ixpk= 27169, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr1= 263,2228,1981,
igr2= 246,2185,2258,1927,
&end
#
# 127 LEU MD2 59 LYS QB 3.40 (# 27175.1 Unique )
&rst
ixpk= 27175, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1987,1988,1989,
igr2= 894, 895,
&end
#
# 127 LEU MD2 0 AMB m:27178 6.00 (# 27178.1 Single Ambig [HN 63 HN 128] )
&rst
ixpk= 27178, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1987,1988,1989,
igr2= 970,1993,
&end
#
# 127 LEU MD1 63 GLU QB 6.00 (# 27182.1 Unique )
&rst
ixpk= 27182, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1983,1984,1985,
igr2= 974, 975,
&end
#
# 127 LEU MD1 59 LYS QB 6.00 (# 27185.1 Unique )
&rst
ixpk= 27185, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1983,1984,1985,
igr2= 894, 895,
&end
#
# 125 ASN HA 0 AMB m:27192 6.00 (# 27192.1 Single Ambig [HA 122 QB 130] )
&rst
ixpk= 27192, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1889,2020,2021,
&end
#
# 125 ASN QB 0 AMB m:27196 6.00 (# 27196.1 Single Ambig [QB 124 QB 122] )
&rst
ixpk= 27196, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1950,1951,
igr2=1931,1932,1891,1892,
&end
#
# 3 PHE QB 4 GLY QA 6.00 (# 27200.1 Unique )
&rst
ixpk= 27200, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 42, 43,
igr2= 60, 61,
&end
#
# 124 LEU HA 0 AMB m:27203 3.60 (# 27203.1 Single Ambig [MD1 127 MD2 50] )
&rst
ixpk= 27203, nxpk= 0, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1983,1984,1985, 779, 780, 781,
&end
#
# 124 LEU QB 0 AMB m:27207 5.80 (# 27207.1 Single Ambig [MG1 129 MG2 129 MD2 35 MG1 123 MD1 55 MD1 109] )
&rst
ixpk= 27207, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.54, r4=11.04,
igr1=1931,1932,
igr2=2006,2007,2008,2010,2011,2012, 560, 561, 562,1917,
1918,1919, 847, 848, 849,1709,1710,1711,
&end
#
# 124 LEU QB 0 AMB m:27215 4.90 (# 27215.1 Single Ambig [MG1 129 MG2 129 MD1 55 MD2 35 MD1 109] )
&rst
ixpk= 27215, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1931,1932,
igr2=2006,2007,2008,2010,2011,2012, 847, 848, 849, 560,
561, 562,1709,1710,1711,
&end
#
# 0 AMB m:27222a 0 AMB m:27222b 3.80 (# 27222.1 Double Ambig [HG 124 HG 24] [MD2 35 MD1 127 MD 68 MG2 60 MD1 55] )
&rst
ixpk= 27222, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=1934, 392,
igr2= 560, 561, 562,1983,1984,1985,1059,1060,1061, 918,
919, 920, 847, 848, 849,
&end
#
# 0 AMB m:27229a 0 AMB m:27229b 4.70 (# 27229.1 Double Ambig [MD1 124 MD1 50] [HB 123 QB 112 HB 39] )
&rst
ixpk= 27229, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1=1936,1937,1938, 775, 776, 777,
igr2=1915,1749,1750, 615,
&end
#
# 50 LEU MD1 0 AMB m:27238 4.20 (# 27238.1 Single Ambig [QG1 60 QB 38] )
&rst
ixpk= 27238, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 775, 776, 777,
igr2= 922, 923, 596, 597,
&end
#
# 123 VAL HA 0 AMB m:27242 6.00 (# 27242.1 Single Ambig [MD1 127 MG2 60] )
&rst
ixpk= 27242, nxpk= 0, iat=1913, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1983,1984,1985, 918, 919, 920,
&end
#
# 123 VAL HA 0 AMB m:27246 6.00 (# 27246.1 Single Ambig [QB 122 HG 67] )
&rst
ixpk= 27246, nxpk= 0, iat=1913, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1891,1892,1034,
&end
#
# 123 VAL HB 0 AMB m:27250 6.00 (# 27250.1 Single Ambig [QB 124 MB 120] )
&rst
ixpk= 27250, nxpk= 0, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=1931,1932,1871,1872,1873,
&end
#
# 123 VAL HB 0 AMB m:27254 6.00 (# 27254.1 Single Ambig [QB 124 QB 122] )
&rst
ixpk= 27254, nxpk= 0, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1931,1932,1891,1892,
&end
#
# 123 VAL MG2 0 AMB m:27258 6.00 (# 27258.1 Single Ambig [HA 124 HA 121]; orig = 4.80 )
&rst
ixpk= 27258, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1921,1922,1923,
igr2=1929,1879,
&end
#
# 123 VAL MG2 0 AMB m:27262 3.90 (# 27262.1 Single Ambig [QB 122 HG 67] )
&rst
ixpk= 27262, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1921,1922,1923,
igr2=1891,1892,1034,
&end
#
# 123 VAL MG2 0 AMB m:27266 6.00 (# 27266.1 Single Ambig [HN 121 HN 67] )
&rst
ixpk= 27266, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1921,1922,1923,
igr2=1877,1027,
&end
#
# 123 VAL MG2 0 AMB m:27270 6.00 (# 27270.1 Single Ambig [HN 127 QD2 125] )
&rst
ixpk= 27270, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1921,1922,1923,
igr2=1974,1955,1956,
&end
#
# 123 VAL MG1 0 AMB m:27277 4.40 (# 27277.1 Single Ambig [HG 124 QB 127] )
&rst
ixpk= 27277, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1917,1918,1919,
igr2=1934,1978,1979,
&end
#
# 123 VAL MG1 0 AMB m:27281 4.40 (# 27281.1 Single Ambig [QB 127 QB 122 QB 124 HG 67] )
&rst
ixpk= 27281, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1=1917,1918,1919,
igr2=1978,1979,1891,1892,1931,1932,1034,
&end
#
# 120 ALA HA 124 LEU HG 5.20 (# 27293.1 Unique )
&rst
ixpk= 27293, nxpk= 0, iat=1869,1934, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 120 ALA HA 0 AMB m:27296 5.00 (# 27296.1 Single Ambig [HB 119 QB 122 QB 124] )
&rst
ixpk= 27296, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2=1855,1891,1892,1931,1932,
&end
#
# 120 ALA HA 0 AMB m:27301 4.90 (# 27301.1 Single Ambig [QB 35 HG 35] )
&rst
ixpk= 27301, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 551, 552, 554,
&end
#
# 120 ALA MB 0 AMB m:27305 4.30 (# 27305.1 Single Ambig [HB 119 QB 124] )
&rst
ixpk= 27305, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1871,1872,1873,
igr2=1855,1931,1932,
&end
#
# 119 VAL HA 0 AMB m:27309 4.70 (# 27309.1 Single Ambig [MG2 123 MG2 68] )
&rst
ixpk= 27309, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1921,1922,1923,1052,1053,1054,
&end
#
# 119 VAL HA 122 ARG QB 5.00 (# 27313.1 Unique )
&rst
ixpk= 27313, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1891,1892,
&end
#
# 119 VAL MG2 0 AMB m:27320 6.00 (# 27320.1 Single Ambig [HB 123 HB 68 QB 63] )
&rst
ixpk= 27320, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1861,1862,1863,
igr2=1915,1050, 974, 975,
&end
#
# 44 GLY QA 0 AMB m:27325 5.10 (# 27325.1 Single Ambig [QG1 45 MB 47] )
&rst
ixpk= 27325, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1= 690, 691,
igr2= 705, 706, 728, 729, 730,
&end
#
# 111 GLY QA 0 AMB m:27329 6.00 (# 27329.1 Single Ambig [QB 114 QB 110] )
&rst
ixpk= 27329, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1740,1741,
igr2=1787,1788,1723,1724,
&end
#
# 108 ILE MD 0 AMB m:27334 6.00 (# 27334.1 Single Ambig [HN 10 HN 13] )
&rst
ixpk= 27334, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1694,1695,1696,
igr2= 162, 211,
&end
#
# 107 HIS HA 110 LEU HG 3.80 (# 27338.1 Unique )
&rst
ixpk= 27338, nxpk= 0, iat=1666,1726, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 107 HIS HA 0 AMB m:27344 6.00 (# 27344.1 Single Ambig [MD2 110 MG1 138 MB 95] )
&rst
ixpk= 27344, nxpk= 0, iat=1666, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2=1732,1733,1734,2156,2157,2158,1485,1486,1487,
&end
#
# 107 HIS QB 103 VAL MG1 6.00 (# 27349.1 Unique )
&rst
ixpk= 27349, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1668,1669,
igr2=1618,1619,1620,
&end
#
# 0 AMB m:27352a 0 AMB m:27352b 3.70 (# 27352.1 Double Ambig [QB 33 QB 107] [MG2 29 HN 30 MB 95 MB 21 QG1 34] )
&rst
ixpk= 27352, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 515, 516,1668,1669,
igr2= 462, 463, 464, 475,1485,1486,1487, 336, 337, 338,
538, 539,
&end
#
# 0 AMB m:27359a 0 AMB m:27359b 5.80 (# 27359.1 Double Ambig [QB 33 QB 107] [QG1 34 QB 36 QG1 108] )
&rst
ixpk= 27359, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
igr1= 515, 516,1668,1669,
igr2= 538, 539, 570, 571,1691,1692,
&end
#
# 0 AMB m:27364a 0 AMB m:27364b 6.00 (# 27364.1 Double Ambig [QB 33 QB 107] [QB 36 QG1 34 QG1 108] )
&rst
ixpk= 27364, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 515, 516,1668,1669,
igr2= 570, 571, 538, 539,1691,1692,
&end
#
# 107 HIS QB 94 GLU QB 6.00 (# 27369.1 Unique )
&rst
ixpk= 27369, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1668,1669,
igr2=1470,1471,
&end
#
# 105 THR HA 0 AMB m:27372 5.40 (# 27372.1 Single Ambig [MG1 13 QG 106] )
&rst
ixpk= 27372, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2= 217, 218, 219,1656,1657,
&end
#
# 0 AMB m:27376a 0 AMB m:27376b 6.00 (# 27376.1 Double Ambig [HB 105 HB 31] [HG 38 HG 112 QG 106 HB 119] )
&rst
ixpk= 27376, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1639, 486,
igr2= 599,1752,1656,1657,1855,
&end
#
# 105 THR HB 0 AMB m:27382 6.00 (# 27382.1 Single Ambig [MB 10 QB 38 QB 9] )
&rst
ixpk= 27382, nxpk= 0, iat=1639, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2= 166, 167, 168, 596, 597, 142, 143,
&end
#
# 0 AMB m:27387a 0 AMB m:27387b 6.00 (# 27387.1 Double Ambig [HB 31 HB 105] [HB 34 HB 108 QB 38 QB 83 QB 9] )
&rst
ixpk= 27387, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 486,1639,
igr2= 532,1685, 596, 597,1283,1284, 142, 143,
&end
#
# 37 GLY QA 0 AMB m:27394 4.70 (# 27394.1 Single Ambig [MD1 16 MG2 13 MD2 16 MD2 38] )
&rst
ixpk= 27394, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1= 587, 588,
igr2= 265, 266, 267, 221, 222, 223, 269, 270, 271, 605,
606, 607,
&end
#
# 37 GLY QA 0 AMB m:27400 4.50 (# 27400.1 Single Ambig [MD1 16 MD2 16 MG2 13] )
&rst
ixpk= 27400, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 587, 588,
igr2= 265, 266, 267, 269, 270, 271, 221, 222, 223,
&end
#
# 37 GLY QA 0 AMB m:27405 5.80 (# 27405.1 Single Ambig [QB 38 QG 20] )
&rst
ixpk= 27405, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1= 587, 588,
igr2= 596, 597, 324, 325,
&end
#
# 37 GLY QA 0 AMB m:27409 5.20 (# 27409.1 Single Ambig [QG 20 QB 38] )
&rst
ixpk= 27409, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 587, 588,
igr2= 324, 325, 596, 597,
&end
#
# 44 GLY QA 0 AMB m:27413 6.00 (# 27413.1 Single Ambig [QB 9 HB 45] )
&rst
ixpk= 27413, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 690, 691,
igr2= 142, 143, 699,
&end
#
# 44 GLY QA 0 AMB m:27417 6.00 (# 27417.1 Single Ambig [QB 9 HB 45] )
&rst
ixpk= 27417, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 690, 691,
igr2= 142, 143, 699,
&end
#
# 69 GLY QA 0 AMB m:27421 5.80 (# 27421.1 Single Ambig [HG 24 QG1 68 QB 70] )
&rst
ixpk= 27421, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.51, r4= 9.01,
igr1=1067,1068,
igr2= 392,1056,1057,1076,1077,
&end
#
# 69 GLY QA 0 AMB m:27426 6.00 (# 27426.1 Single Ambig [HG 24 QG1 68] )
&rst
ixpk= 27426, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1067,1068,
igr2= 392,1056,1057,
&end
#
# 81 THR MG2 28 ASN QD2 6.00 (# 27430.1 Unique )
&rst
ixpk= 27430, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1257,1258,1259,
igr2= 451, 452,
&end
#
# 81 THR MG2 0 AMB m:27436 6.00 (# 27436.1 Single Ambig [HN 28 HN 68] )
&rst
ixpk= 27436, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1257,1258,1259,
igr2= 442,1046,
&end
#
# 81 THR MG2 0 AMB m:27440 6.00 (# 27440.1 Single Ambig [HN 31 HN 85] )
&rst
ixpk= 27440, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1257,1258,1259,
igr2= 482,1313,
&end
#
# 105 THR MG2 0 AMB m:27447 6.00 (# 27447.1 Single Ambig [QB 106 QG1 45] )
&rst
ixpk= 27447, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1641,1642,1643,
igr2=1653,1654, 705, 706,
&end
#
# 0 AMB m:27451a 0 AMB m:27451b 4.80 (# 27451.1 Double Ambig [MG2 31 MG2 105] [QB 115 QB 9] )
&rst
ixpk= 27451, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,
igr1= 488, 489, 490,1641,1642,1643,
igr2=1811,1812, 142, 143,
&end
#
# 31 THR MG2 115 GLU QB 6.00 (# 27463.1 Unique )
&rst
ixpk= 27463, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 488, 489, 490,
igr2=1811,1812,
&end
#
# 31 THR MG2 83 ARG QB 4.50 (# 27470.1 Unique; orig = 3.30 )
&rst
ixpk= 27470, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 488, 489, 490,
igr2=1283,1284,
&end
#
# 105 THR MG2 0 AMB m:27473 6.00 (# 27473.1 Single Ambig [HN 108 HN 47] )
&rst
ixpk= 27473, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1641,1642,1643,
igr2=1681, 724,
&end
#
# 137 GLN QB 0 AMB m:27480 6.00 (# 27480.1 Single Ambig [MB 52 QB 141] )
&rst
ixpk= 27480, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=2137,2138,
igr2= 806, 807, 808,2206,2207,
&end
#
# 10 ALA MB 0 AMB m:27484 5.00 (# 27484.1 Single Ambig [MG2 108 MG1 103] )
&rst
ixpk= 27484, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 166, 167, 168,
igr2=1687,1688,1689,1618,1619,1620,
&end
#
# 10 ALA MB 11 GLN QB 5.60 (# 27488.1 Unique )
&rst
ixpk= 27488, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 166, 167, 168,
igr2= 176, 177,
&end
#
# 0 AMB m:27495a 0 AMB m:27495b 5.00 (# 27495.1 Double Ambig [MB 84 MB 10] [QB 83 QB 9 HG 14 QG 106] )
&rst
ixpk= 27495, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.32, r4= 9.82,
igr1=1307,1308,1309, 166, 167, 168,
igr2=1283,1284, 142, 143, 234,1656,1657,
&end
#
# 0 AMB m:27501a 0 AMB m:27501b 4.70 (# 27501.1 Double Ambig [MB 10 MB 84] [QG1 108 QB 9 QG1 34] )
&rst
ixpk= 27501, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 166, 167, 168,1307,1308,1309,
igr2=1691,1692, 142, 143, 538, 539,
&end
#
# 0 AMB m:27506a 0 AMB m:27506b 5.20 (# 27506.1 Double Ambig [MB 84 MB 10] [QB 83 HB 108 HB 34 QB 85] )
&rst
ixpk= 27506, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
igr1=1307,1308,1309, 166, 167, 168,
igr2=1283,1284,1685, 532,1317,1318,
&end
#
# 0 AMB m:27513a 0 AMB m:27513b 6.00 (# 27513.1 Double Ambig [MB 10 MB 84] [QB 11 HB 88 QG 115 QG 41] )
&rst
ixpk= 27513, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
igr1= 166, 167, 168,1307,1308,1309,
igr2= 176, 177,1377,1814,1815, 658, 659,
&end
#
# 0 AMB m:27519a 0 AMB m:27519b 5.30 (# 27519.1 Double Ambig [HB 87 HB 13] [MB 84 QB 38 MB 10] )
&rst
ixpk= 27519, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1361, 215,
igr2=1307,1308,1309, 596, 597, 166, 167, 168,
&end
#
# 0 AMB m:27524a 0 AMB m:27524b 6.00 (# 27524.1 Double Ambig [HB 13 HB 87] [HG 14 HG 112 QB 14] )
&rst
ixpk= 27524, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 215,1361,
igr2= 234,1752, 231, 232,
&end
#
# 0 AMB m:27529a 0 AMB m:27529b 6.00 (# 27529.1 Double Ambig [HB 13 HB 87] [QG 41 QG 115 HB 88 QB 16] )
&rst
ixpk= 27529, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1= 215,1361,
igr2= 658, 659,1814,1815,1377, 260, 261,
&end
#
# 0 AMB m:27539a 0 AMB m:27539b 6.00 (# 27539.1 Double Ambig [HB 13 HB 87] [QB 38 QB 86 QB 83 QB 12 HB 34] )
&rst
ixpk= 27539, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 215,1361,
igr2= 596, 597,1339,1340,1283,1284, 193, 194, 532,
&end
#
# 0 AMB m:27546a 0 AMB m:27546b 5.30 (# 27546.1 Double Ambig [HB 13 HB 87] [QA 37 QA 42 HA 31] )
&rst
ixpk= 27546, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 215,1361,
igr2= 587, 588, 668, 669, 484,
&end
#
# 0 AMB m:27552a 0 AMB m:27552b 6.00 (# 27552.1 Double Ambig [HB 87 HB 13] [QB 86 QB 12 QB 89] )
&rst
ixpk= 27552, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1361, 215,
igr2=1339,1340, 193, 194,1396,1397,
&end
#
# 87 VAL MG2 0 AMB m:27557 6.00 (# 27557.1 Single Ambig [QA 111 QA 116] )
&rst
ixpk= 27557, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1367,1368,1369,
igr2=1740,1741,1824,1825,
&end
#
# 13 VAL MG2 15 ALA HN 6.00 (# 27561.1 Unique )
&rst
ixpk= 27561, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 221, 222, 223,
&end
#
# 13 VAL MG2 0 AMB m:27564 5.80 (# 27564.1 Single Ambig [QA 42 HA 35] )
&rst
ixpk= 27564, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr1= 221, 222, 223,
igr2= 668, 669, 549,
&end
#
# 13 VAL MG2 0 AMB m:27568 3.90 (# 27568.1 Single Ambig [HA 34 QA 42 QA 37 HA 105] )
&rst
ixpk= 27568, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 221, 222, 223,
igr2= 530, 668, 669, 587, 588,1637,
&end
#
# 13 VAL MG2 0 AMB m:27574 6.00 (# 27574.1 Single Ambig [MG2 105 MB 46] )
&rst
ixpk= 27574, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 221, 222, 223,
igr2=1641,1642,1643, 718, 719, 720,
&end
#
# 13 VAL MG2 0 AMB m:27583 4.50 (# 27583.1 Single Ambig [QB 38 HB 108 HB 34 QB 12] )
&rst
ixpk= 27583, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 221, 222, 223,
igr2= 596, 597,1685, 532, 193, 194,
&end
#
# 13 VAL MG2 0 AMB m:27589 6.00 (# 27589.1 Single Ambig [QG 41 QB 16] )
&rst
ixpk= 27589, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 221, 222, 223,
igr2= 658, 659, 260, 261,
&end
#
# 16 LEU HA 16 LEU QB 3.80 (# 27593.1 Unique )
&rst
ixpk= 27593, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 260, 261,
&end
#
# 22 LEU HA 78 ILE MD 5.00 (# 27596.1 Unique )
&rst
ixpk= 27596, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1207,1208,1209,
&end
#
# 0 AMB m:27599a 0 AMB m:27599b 5.30 (# 27599.1 Double Ambig [HA 14 HA 16] [HA 34 QA 37] )
&rst
ixpk= 27599, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 229, 258,
igr2= 530, 587, 588,
&end
#
# 0 AMB m:27603 13 VAL HA 6.00 (# 27603.1 Single Ambig [HA 14 HA 16] )
&rst
ixpk= 27603, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 229, 258,
&end
#
# 0 AMB m:27607a 0 AMB m:27607b 6.00 (# 27607.1 Double Ambig [HG 14 HG 50] [HB 13 QB 51] )
&rst
ixpk= 27607, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 234, 773,
igr2= 215, 789, 790,
&end
#
# 0 AMB m:27611a 0 AMB m:27611b 3.80 (# 27611.1 Double Ambig [HG 50 HG 14] [HA 50 HA 11 HA 47] )
&rst
ixpk= 27611, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 773, 234,
igr2= 768, 174, 726,
&end
#
# 14 LEU MD2 0 AMB m:27620 5.00 (# 27620.1 Single Ambig [HA 34 HA 88] )
&rst
ixpk= 27620, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 240, 241, 242,
igr2= 530,1375,
&end
#
# 14 LEU MD2 0 AMB m:27624 5.60 (# 27624.1 Single Ambig [MG1 13 QG1 88] )
&rst
ixpk= 27624, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.79, r4= 9.29,
igr1= 240, 241, 242,
igr2= 217, 218, 219,1383,1384,
&end
#
# 14 LEU MD1 0 AMB m:27628 6.00 (# 27628.1 Single Ambig [MG2 88 QG1 108] )
&rst
ixpk= 27628, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 236, 237, 238,
igr2=1379,1380,1381,1691,1692,
&end
#
# 14 LEU MD1 0 AMB m:27632 5.00 (# 27632.1 Single Ambig [MG2 13 MD 108] )
&rst
ixpk= 27632, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 236, 237, 238,
igr2= 221, 222, 223,1694,1695,1696,
&end
#
# 14 LEU MD1 11 GLN QB 6.00 (# 27636.1 Unique )
&rst
ixpk= 27636, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 236, 237, 238,
igr2= 176, 177,
&end
#
# 15 ALA HA 0 AMB m:27639 6.00 (# 27639.1 Single Ambig [MD2 16 MG2 13 MD2 22 MD1 16] )
&rst
ixpk= 27639, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2= 269, 270, 271, 221, 222, 223, 355, 356, 357, 265,
266, 267,
&end
#
# 0 AMB m:27645a 0 AMB m:27645b 4.00 (# 27645.1 Double Ambig [HG 53 HG 36] [QB 137 QG 20] )
&rst
ixpk= 27645, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 819, 573,
igr2=2137,2138, 324, 325,
&end
#
# 0 AMB m:27649a 0 AMB m:27649b 4.50 (# 27649.1 Double Ambig [HG 16 HG 53 HG 36] [QB 16 QB 137 HB 64 QG 65 QB 20] )
&rst
ixpk= 27649, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 263, 819, 573,
igr2= 260, 261,2137,2138, 989,1008,1009, 321, 322,
&end
#
# 0 AMB m:27656a 0 AMB m:27656b 4.30 (# 27656.1 Double Ambig [HG 16 HG 142] [HA 16 HA 140] )
&rst
ixpk= 27656, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 263,2228,
igr2= 258,2187,
&end
#
# 17 ALA HA 0 AMB m:27667 6.00 (# 27667.1 Single Ambig [QB 36 HG 36 QG1 34] )
&rst
ixpk= 27667, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2= 570, 571, 573, 538, 539,
&end
#
# 17 ALA HA 0 AMB m:27672 5.80 (# 27672.1 Single Ambig [MB 21 MD1 36 MD2 16 MD1 16 MG2 13 MD 34] )
&rst
ixpk= 27672, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 9.39, r4= 9.89,
igr2= 336, 337, 338, 575, 576, 577, 269, 270, 271, 265,
266, 267, 221, 222, 223, 541, 542, 543,
&end
#
# 17 ALA HA 0 AMB m:27680 6.00 (# 27680.1 Single Ambig [MG2 29 MB 21 HN 30 QG1 34 MD2 14 MG2 34] )
&rst
ixpk= 27680, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr2= 462, 463, 464, 336, 337, 338, 475, 538, 539, 240,
241, 242, 534, 535, 536,
&end
#
# 17 ALA MB 29 ILE QG1 4.10 (# 27688.1 Unique )
&rst
ixpk= 27688, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 279, 280, 281,
igr2= 466, 467,
&end
#
# 17 ALA MB 0 AMB m:27691 6.00 (# 27691.1 Single Ambig [MG2 29 MD2 14 QG1 34 MG2 34 MD 34] )
&rst
ixpk= 27691, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
igr1= 279, 280, 281,
igr2= 462, 463, 464, 240, 241, 242, 538, 539, 534, 535,
536, 541, 542, 543,
&end
#
# 17 ALA MB 0 AMB m:27698 5.60 (# 27698.1 Single Ambig [QB 20 QB 18 QB 16] )
&rst
ixpk= 27698, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.07, r4= 9.57,
igr1= 279, 280, 281,
igr2= 321, 322, 289, 290, 260, 261,
&end
#
# 17 ALA MB 0 AMB m:27703 5.80 (# 27703.1 Single Ambig [QB 18 QB 20] )
&rst
ixpk= 27703, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr1= 279, 280, 281,
igr2= 289, 290, 321, 322,
&end
#
# 17 ALA MB 0 AMB m:27708 6.00 (# 27708.1 Single Ambig [QB 14 HG 14 QG 32] )
&rst
ixpk= 27708, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 279, 280, 281,
igr2= 231, 232, 234, 503, 504,
&end
#
# 17 ALA MB 0 AMB m:27713 5.80 (# 27713.1 Single Ambig [HB 34 QB 38] )
&rst
ixpk= 27713, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr1= 279, 280, 281,
igr2= 532, 596, 597,
&end
#
# 17 ALA MB 0 AMB m:27717 4.30 (# 27717.1 Single Ambig [QG1 34 QB 36] )
&rst
ixpk= 27717, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 279, 280, 281,
igr2= 538, 539, 570, 571,
&end
#
# 18 GLN QB 0 AMB m:27721 5.20 (# 27721.1 Single Ambig [MG2 78 MD 78] )
&rst
ixpk= 27721, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 289, 290,
igr2=1200,1201,1202,1207,1208,1209,
&end
#
# 18 GLN QB 0 AMB m:27725 4.70 (# 27725.1 Single Ambig [MD2 22 MD1 22 MD2 16] )
&rst
ixpk= 27725, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 289, 290,
igr2= 355, 356, 357, 351, 352, 353, 269, 270, 271,
&end
#
# 0 AMB m:27734a 0 AMB m:27734b 4.50 (# 27734.1 Double Ambig [QB 19 QB 94] [MD2 16 MD1 22 MD2 22 MD1 98 MD1 139] )
&rst
ixpk= 27734, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 306, 307,1470,1471,
igr2= 269, 270, 271, 351, 352, 353, 355, 356, 357,1546,
1547,1548,2175,2176,2177,
&end
#
# 0 AMB m:27745a 0 AMB m:27745b 4.70 (# 27745.1 Double Ambig [QG 19 QG 20 QG 94] [MD2 16 MD1 22 MD2 22 MD1 36 MD2 90 MD1 16 MG1 87] )
&rst
ixpk= 27745, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
igr1= 309, 310, 324, 325,1473,1474,
igr2= 269, 270, 271, 351, 352, 353, 355, 356, 357, 575,
576, 577,1420,1421,1422, 265, 266, 267,1363,1364,
1365,
&end
#
# 0 AMB m:27755a 0 AMB m:27755b 4.50 (# 27755.1 Double Ambig [QG 20 QG 94 QG 19] [QB 16 QB 90] )
&rst
ixpk= 27755, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 324, 325,1473,1474, 309, 310,
igr2= 260, 261,1411,1412,
&end
#
# 94 GLU QG 110 LEU QB 6.00 (# 27760.1 Unique )
&rst
ixpk= 27760, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1473,1474,
igr2=1723,1724,
&end
#
# 0 AMB m:27763a 0 AMB m:27763b 5.40 (# 27763.1 Double Ambig [QG 94 QG 20] [QB 110 QB 36 HG 36 QB 97 QB 23] )
&rst
ixpk= 27763, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.81, r4=10.31,
igr1=1473,1474, 324, 325,
igr2=1723,1724, 570, 571, 573,1519,1520, 365, 366,
&end
#
# 0 AMB m:27770a 0 AMB m:27770b 4.30 (# 27770.1 Double Ambig [QG 19 QG 20 QG 94] [HA 16 HA 17 QB 91] )
&rst
ixpk= 27770, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 309, 310, 324, 325,1473,1474,
igr2= 258, 277,1430,1431,
&end
#
# 19 GLU QG 0 AMB m:27775 4.50 (# 27775.1 Single Ambig [MD2 16 MD1 22 MD2 22] )
&rst
ixpk= 27775, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 309, 310,
igr2= 269, 270, 271, 351, 352, 353, 355, 356, 357,
&end
#
# 95 ALA MB 0 AMB m:27780 5.10 (# 27780.1 Single Ambig [HN 98 HN 92 HN 108] )
&rst
ixpk= 27780, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1=1485,1486,1487,
igr2=1537,1437,1681,
&end
#
# 21 ALA HA 0 AMB m:27785 4.90 (# 27785.1 Single Ambig [HA 20 HA 24] )
&rst
ixpk= 27785, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 319, 387,
&end
#
# 21 ALA MB 0 AMB m:27789 5.40 (# 27789.1 Single Ambig [QB 18 QB 72] )
&rst
ixpk= 27789, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1= 336, 337, 338,
igr2= 289, 290,1107,1108,
&end
#
# 21 ALA MB 0 AMB m:27793 6.00 (# 27793.1 Single Ambig [QB 22 MB 17] )
&rst
ixpk= 27793, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 336, 337, 338,
igr2= 346, 347, 279, 280, 281,
&end
#
# 22 LEU MD1 0 AMB m:27802 6.00 (# 27802.1 Single Ambig [HN 19 HN 25] )
&rst
ixpk= 27802, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 351, 352, 353,
igr2= 302, 404,
&end
#
# 0 AMB m:27806a 0 AMB m:27806b 6.00 (# 27806.1 Double Ambig [MD2 112 MD1 22] [QA 111 HA 32 HA 18] )
&rst
ixpk= 27806, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1758,1759,1760, 351, 352, 353,
igr2=1740,1741, 498, 287,
&end
#
# 23 ARG QB 0 AMB m:27814 6.00 (# 27814.1 Single Ambig [MB 21 MD2 22 MD1 24] )
&rst
ixpk= 27814, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 365, 366,
igr2= 336, 337, 338, 355, 356, 357, 394, 395, 396,
&end
#
# 23 ARG QB 0 AMB m:27822 6.00 (# 27822.1 Single Ambig [HA 20 HA 24] )
&rst
ixpk= 27822, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 365, 366,
igr2= 319, 387,
&end
#
# 0 AMB m:27826a 0 AMB m:27826b 3.40 (# 27826.1 Double Ambig [QB 23 QB 114] [QB 23 QB 114] )
#This appears to be self-referential: ignoring
#
# 0 AMB m:27833a 0 AMB m:27833b 6.00 (# 27833.1 Double Ambig [MD2 16 MD1 35] [HA 12 HA 15 HA 20 HA 33] )
&rst
ixpk= 27833, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 269, 270, 271, 556, 557, 558,
igr2= 191, 248, 319, 513,
&end
#
# 16 LEU MD2 13 VAL HA 6.00 (# 27839.1 Unique )
&rst
ixpk= 27839, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 269, 270, 271,
&end
#
# 0 AMB m:27845a 0 AMB m:27845b 4.70 (# 27845.1 Double Ambig [MD1 110 MD2 98] [HN 110 HN 98] )
&rst
ixpk= 27845, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1=1728,1729,1730,1550,1551,1552,
igr2=1719,1537,
&end
#
# 110 LEU MD1 135 ARG HA 5.20 (# 27849.1 Unique )
&rst
ixpk= 27849, nxpk= 0, iat= -1,2094, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1728,1729,1730,
&end
#
# 110 LEU MD1 94 GLU QG 6.00 (# 27852.1 Unique )
&rst
ixpk= 27852, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1728,1729,1730,
igr2=1473,1474,
&end
#
# 26 HIS QB 21 ALA MB 5.60 (# 27859.1 Unique )
&rst
ixpk= 27859, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 415, 416,
igr2= 336, 337, 338,
&end
#
# 29 ILE MG2 0 AMB m:27866 6.00 (# 27866.1 Single Ambig [QB 18 QB 20] )
&rst
ixpk= 27866, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 462, 463, 464,
igr2= 289, 290, 321, 322,
&end
#
# 29 ILE MG2 0 AMB m:27870 6.00 (# 27870.1 Single Ambig [QG 32 QG1 78 QG1 88 MG2 31] )
&rst
ixpk= 27870, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.39, r4=10.89,
igr1= 462, 463, 464,
igr2= 503, 504,1204,1205,1383,1384, 488, 489, 490,
&end
#
# 29 ILE MG2 0 AMB m:27876 5.60 (# 27876.1 Single Ambig [HA 14 HA 17] )
&rst
ixpk= 27876, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 462, 463, 464,
igr2= 229, 277,
&end
#
# 32 GLU HA 35 LEU QB 3.30 (# 27884.1 Unique )
&rst
ixpk= 27884, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 551, 552,
&end
#
# 141 LEU HG 0 AMB m:27887 4.30 (# 27887.1 Single Ambig [HA 141 HA 142] )
&rst
ixpk= 27887, nxpk= 0, iat=2209, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=2204,2223,
&end
#
# 141 LEU HG 137 GLN QE2 5.80 (# 27891.1 Unique )
&rst
ixpk= 27891, nxpk= 0, iat=2209, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=2145,2146,
&end
#
# 0 AMB m:27894a 0 AMB m:27894b 4.30 (# 27894.1 Double Ambig [HG 141 QB 32] [HN 141 HE1 33 HE1 26] )
&rst
ixpk= 27894, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=2209, 500, 501,
igr2=2202, 520, 420,
&end
#
# 0 AMB m:27899a 0 AMB m:27899b 6.00 (# 27899.1 Double Ambig [QB 32 HG 141] [HN 120 HN 142] )
&rst
ixpk= 27899, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 500, 501,2209,
igr2=1867,2221,
&end
#
# 32 GLU QG 0 AMB m:27903 4.40 (# 27903.1 Single Ambig [MD 68 HN 30 MG1 64] )
&rst
ixpk= 27903, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 503, 504,
igr2=1059,1060,1061, 475, 991, 992, 993,
&end
#
# 32 GLU QG 0 AMB m:27908 3.00 (# 27908.1 Single Ambig [MD 68 MG1 64 HN 30] )
&rst
ixpk= 27908, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 503, 504,
igr2=1059,1060,1061, 991, 992, 993, 475,
&end
#
# 33 HIS HA 0 AMB m:27913 5.40 (# 27913.1 Single Ambig [QB 20 QG 65 HB 64] )
&rst
ixpk= 27913, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2= 321, 322,1008,1009, 989,
&end
#
# 33 HIS HA 0 AMB m:27921 6.00 (# 27921.1 Single Ambig [HA 36 HA 29] )
&rst
ixpk= 27921, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 568, 458,
&end
#
# 0 AMB m:27925a 0 AMB m:27925b 6.00 (# 27925.1 Double Ambig [QB 107 QB 33] [MD1 110 MD2 36] )
&rst
ixpk= 27925, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1668,1669, 515, 516,
igr2=1728,1729,1730, 579, 580, 581,
&end
#
# 36 LEU QB 0 AMB m:27929 6.00 (# 27929.1 Single Ambig [QA 37 HA 61] )
&rst
ixpk= 27929, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 570, 571,
igr2= 587, 588, 933,
&end
#
# 36 LEU QB 0 AMB m:27934 6.00 (# 27934.1 Single Ambig [QB 20 QG 65 HB 64] )
&rst
ixpk= 27934, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 570, 571,
igr2= 321, 322,1008,1009, 989,
&end
#
# 36 LEU QB 0 AMB m:27939 4.90 (# 27939.1 Single Ambig [QB 35 HG 35] )
&rst
ixpk= 27939, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 570, 571,
igr2= 551, 552, 554,
&end
#
# 35 LEU HG 0 AMB m:27943 4.70 (# 27943.1 Single Ambig [MG2 64 MG2 123] )
&rst
ixpk= 27943, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 995, 996, 997,1921,1922,1923,
&end
#
# 35 LEU HG 0 AMB m:27947 6.00 (# 27947.1 Single Ambig [HA 32 HA 124] )
&rst
ixpk= 27947, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 498,1929,
&end
#
# 0 AMB m:27951a 0 AMB m:27951b 4.50 (# 27951.1 Double Ambig [MD2 16 MD1 24 MD1 36] [QB 40 QB 70] )
&rst
ixpk= 27951, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 269, 270, 271, 394, 395, 396, 575, 576, 577,
igr2= 631, 632,1076,1077,
&end
#
# 127 LEU MD2 126 ASN QB 6.00 (# 27956.1 Unique; orig = 4.60 )
&rst
ixpk= 27956, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1987,1988,1989,
igr2=1964,1965,
&end
#
# 127 LEU MD2 63 GLU QG 4.30 (# 27959.1 Unique )
&rst
ixpk= 27959, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1987,1988,1989,
igr2= 977, 978,
&end
#
# 36 LEU MD2 37 GLY HN 6.00 (# 27962.1 Unique )
&rst
ixpk= 27962, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 579, 580, 581,
&end
#
# 36 LEU MD2 0 AMB m:27965 6.00 (# 27965.1 Single Ambig [HN 65 HN 64] )
&rst
ixpk= 27965, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 579, 580, 581,
igr2=1001, 985,
&end
#
# 36 LEU MD2 61 GLN QE2 6.00 (# 27969.1 Unique )
&rst
ixpk= 27969, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 579, 580, 581,
igr2= 943, 944,
&end
#
# 36 LEU MD2 0 AMB m:27972 5.60 (# 27972.1 Single Ambig [HA 65 QB 33] )
&rst
ixpk= 27972, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
igr1= 579, 580, 581,
igr2=1003, 515, 516,
&end
#
# 36 LEU MD2 64 VAL HA 6.00 (# 27976.1 Unique )
&rst
ixpk= 27976, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 579, 580, 581,
&end
#
# 36 LEU MD2 0 AMB m:27979 2.40 (# 27979.1 Single Ambig [HG 36 QB 36] )
&rst
ixpk= 27979, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 579, 580, 581,
igr2= 573, 570, 571,
&end
#
# 0 AMB m:27983a 0 AMB m:27983b 3.10 (# 27983.1 Double Ambig [HA 22 HA 38] [QB 22 QB 38] )
&rst
ixpk= 27983, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 344, 594,
igr2= 346, 347, 596, 597,
&end
#
# 0 AMB m:27987a 0 AMB m:27987b 3.60 (# 27987.1 Double Ambig [HA 38 HA 22] [QB 38 QB 73] )
&rst
ixpk= 27987, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 594, 344,
igr2= 596, 597,1124,1125,
&end
#
# 0 AMB m:27991a 0 AMB m:27991b 6.00 (# 27991.1 Double Ambig [HA 38 HA 22] [MD2 38 MD2 22 MD1 22 MG2 13] )
&rst
ixpk= 27991, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 594, 344,
igr2= 605, 606, 607, 355, 356, 357, 351, 352, 353, 221,
222, 223,
&end
#
# 0 AMB m:27997a 0 AMB m:27997b 6.00 (# 27997.1 Double Ambig [HA 38 HA 22] [MG2 105 MB 46 QG1 78] )
&rst
ixpk= 27997, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 594, 344,
igr2=1641,1642,1643, 718, 719, 720,1204,1205,
&end
#
# 38 LEU HA 41 GLU QB 5.60 (# 28002.1 Unique )
&rst
ixpk= 28002, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 655, 656,
&end
#
# 38 LEU QB 0 AMB m:28005 6.00 (# 28005.1 Single Ambig [MG1 13 QB 112] )
&rst
ixpk= 28005, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 596, 597,
igr2= 217, 218, 219,1749,1750,
&end
#
# 38 LEU QB 0 AMB m:28009 5.50 (# 28009.1 Single Ambig [MD1 50 MD2 124] )
&rst
ixpk= 28009, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 596, 597,
igr2= 775, 776, 777,1940,1941,1942,
&end
#
# 38 LEU MD2 39 VAL HN 6.00 (# 28013.1 Unique )
&rst
ixpk= 28013, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 605, 606, 607,
&end
#
# 0 AMB m:28016a 0 AMB m:28016b 4.80 (# 28016.1 Double Ambig [MD1 16 MD2 38] [HE 40 HN 47] )
&rst
ixpk= 28016, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr1= 265, 266, 267, 605, 606, 607,
igr2= 640, 724,
&end
#
# 0 AMB m:28020a 0 AMB m:28020b 3.50 (# 28020.1 Double Ambig [MD2 38 MD1 16] [HA 105 QA 37] )
&rst
ixpk= 28020, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 605, 606, 607, 265, 266, 267,
igr2=1637, 587, 588,
&end
#
# 0 AMB m:28024a 0 AMB m:28024b 4.00 (# 28024.1 Double Ambig [MD1 16 MD2 38] [HA 41 HA 10 HA 109] )
&rst
ixpk= 28024, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 265, 266, 267, 605, 606, 607,
igr2= 653, 164,1702,
&end
#
# 0 AMB m:28029a 0 AMB m:28029b 4.50 (# 28029.1 Double Ambig [MD1 16 MD2 38] [QB 40 MB 10] )
&rst
ixpk= 28029, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 265, 266, 267, 605, 606, 607,
igr2= 631, 632, 166, 167, 168,
&end
#
# 38 LEU MD1 0 AMB m:28033 5.60 (# 28033.1 Single Ambig [HN 35 HN 46] )
&rst
ixpk= 28033, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 601, 602, 603,
igr2= 547, 714,
&end
#
# 38 LEU MD1 0 AMB m:28037 4.90 (# 28037.1 Single Ambig [HA 105 HA 31 HA 106] )
&rst
ixpk= 28037, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 601, 602, 603,
igr2=1637, 484,1651,
&end
#
# 39 VAL HA 0 AMB m:28046 6.00 (# 28046.1 Single Ambig [MG2 60 MD2 35 MD2 109 MD1 112] )
&rst
ixpk= 28046, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2= 918, 919, 920, 560, 561, 562,1713,1714,1715,1754,
1755,1756,
&end
#
# 39 VAL HA 0 AMB m:28052 5.40 (# 28052.1 Single Ambig [MD1 35 MD2 38 QG1 60 MD1 38 MD1 36 MD1 109] )
&rst
ixpk= 28052, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 8.66, r4= 9.16,
igr2= 556, 557, 558, 605, 606, 607, 922, 923, 601, 602,
603, 575, 576, 577,1709,1710,1711,
&end
#
# 39 VAL HA 0 AMB m:28060 6.00 (# 28060.1 Single Ambig [QB 50 MB 46 HG 35] )
&rst
ixpk= 28060, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 770, 771, 718, 719, 720, 554,
&end
#
# 39 VAL HA 0 AMB m:28065 6.00 (# 28065.1 Single Ambig [HB 60 QB 40] )
&rst
ixpk= 28065, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 916, 631, 632,
&end
#
# 39 VAL HA 0 AMB m:28070 6.00 (# 28070.1 Single Ambig [QB 38 QB 43 QB 35] )
&rst
ixpk= 28070, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 596, 597, 677, 678, 551, 552,
&end
#
# 39 VAL HB 36 LEU HA 4.60 (# 28075.1 Unique )
&rst
ixpk= 28075, nxpk= 0, iat= 615, 568, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 39 VAL HB 0 AMB m:28078 4.30 (# 28078.1 Single Ambig [HA 57 QB 57] )
&rst
ixpk= 28078, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 866, 868, 869,
&end
#
# 39 VAL HB 0 AMB m:28082 6.00 (# 28082.1 Single Ambig [MD 60 MD1 50 MG2 60] )
&rst
ixpk= 28082, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 925, 926, 927, 775, 776, 777, 918, 919, 920,
&end
#
# 39 VAL HB 0 AMB m:28087 5.30 (# 28087.1 Single Ambig [MD1 36 QG1 60 MD1 35 MD1 16 MD2 38] )
&rst
ixpk= 28087, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr2= 575, 576, 577, 922, 923, 556, 557, 558, 265, 266,
267, 605, 606, 607,
&end
#
# 39 VAL MG1 0 AMB m:28094 5.40 (# 28094.1 Single Ambig [HN 57 HN 61] )
&rst
ixpk= 28094, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 617, 618, 619,
igr2= 864, 931,
&end
#
# 39 VAL MG1 0 AMB m:28098 6.00 (# 28098.1 Single Ambig [HN 51 HN 62 HN 48] )
&rst
ixpk= 28098, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 617, 618, 619,
igr2= 785, 948, 734,
&end
#
# 39 VAL MG1 0 AMB m:28103 6.00 (# 28103.1 Single Ambig [HA 36 HA 51 HA 35] )
&rst
ixpk= 28103, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 617, 618, 619,
igr2= 568, 787, 549,
&end
#
# 39 VAL MG2 0 AMB m:28114 5.60 (# 28114.1 Single Ambig [HN 36 HN 41 HN 50] )
&rst
ixpk= 28114, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
igr1= 621, 622, 623,
igr2= 566, 651, 766,
&end
#
# 39 VAL MG2 0 AMB m:28119 5.40 (# 28119.1 Single Ambig [HA 38 HA 40 HA 58] )
&rst
ixpk= 28119, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 621, 622, 623,
igr2= 594, 629, 877,
&end
#
# 39 VAL MG2 0 AMB m:28124 6.00 (# 28124.1 Single Ambig [HA 61 QA 37 QA 42] )
&rst
ixpk= 28124, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 621, 622, 623,
igr2= 933, 587, 588, 668, 669,
&end
#
# 39 VAL MG2 61 GLN QB 5.00 (# 28130.1 Unique )
&rst
ixpk= 28130, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 621, 622, 623,
igr2= 935, 936,
&end
#
# 39 VAL MG2 0 AMB m:28133 4.30 (# 28133.1 Single Ambig [QB 38 QB 35 QB 61] )
&rst
ixpk= 28133, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 621, 622, 623,
igr2= 596, 597, 551, 552, 935, 936,
&end
#
# 39 VAL MG2 0 AMB m:28138 4.70 (# 28138.1 Single Ambig [QB 50 HG 36 QB 36 QB 40] )
&rst
ixpk= 28138, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 621, 622, 623,
igr2= 770, 771, 573, 570, 571, 631, 632,
&end
#
# 39 VAL MG2 0 AMB m:28144 6.00 (# 28144.1 Single Ambig [QB 55 HG 38] )
&rst
ixpk= 28144, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 621, 622, 623,
igr2= 842, 843, 599,
&end
#
# 39 VAL MG2 0 AMB m:28148 6.00 (# 28148.1 Single Ambig [QG1 60 QB 40] )
&rst
ixpk= 28148, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 621, 622, 623,
igr2= 922, 923, 631, 632,
&end
#
# 39 VAL MG2 38 LEU QB 4.80 (# 28152.1 Unique )
&rst
ixpk= 28152, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 621, 622, 623,
igr2= 596, 597,
&end
#
# 39 VAL MG2 0 AMB m:28155 3.90 (# 28155.1 Single Ambig [HG 35 QB 50] )
&rst
ixpk= 28155, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 621, 622, 623,
igr2= 554, 770, 771,
&end
#
# 40 ARG QB 0 AMB m:28159 4.60 (# 28159.1 Single Ambig [MD1 16 MD2 16] )
&rst
ixpk= 28159, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 631, 632,
igr2= 265, 266, 267, 269, 270, 271,
&end
#
# 40 ARG QB 16 LEU QB 4.50 (# 28163.1 Unique )
&rst
ixpk= 28163, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 631, 632,
igr2= 260, 261,
&end
#
# 40 ARG QB 0 AMB m:28166 3.90 (# 28166.1 Single Ambig [MD1 16 MD2 16] )
&rst
ixpk= 28166, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 631, 632,
igr2= 265, 266, 267, 269, 270, 271,
&end
#
# 40 ARG QB 0 AMB m:28170 4.70 (# 28170.1 Single Ambig [MD1 16 MD2 16] )
&rst
ixpk= 28170, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 631, 632,
igr2= 265, 266, 267, 269, 270, 271,
&end
#
# 45 ILE MG2 0 AMB m:28185 6.00 (# 28185.1 Single Ambig [HA 49 QA 44 QB 144] )
&rst
ixpk= 28185, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 701, 702, 703,
igr2= 758, 690, 691,2251,2252,
&end
#
# 45 ILE MG2 0 AMB m:28190 6.00 (# 28190.1 Single Ambig [MB 46 QB 109] )
&rst
ixpk= 28190, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 701, 702, 703,
igr2= 718, 719, 720,1704,1705,
&end
#
# 45 ILE MD 0 AMB m:28198 4.10 (# 28198.1 Single Ambig [HG 141 QB 48] )
&rst
ixpk= 28198, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 708, 709, 710,
igr2=2209, 738, 739,
&end
#
# 45 ILE MD 0 AMB m:28202 6.00 (# 28202.1 Single Ambig [HN 142 HN 48] )
&rst
ixpk= 28202, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 708, 709, 710,
igr2=2221, 734,
&end
#
# 46 ALA MB 0 AMB m:28214 5.00 (# 28214.1 Single Ambig [HA 109 HA 47 QA 44 HA 49] )
&rst
ixpk= 28214, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 718, 719, 720,
igr2=1702, 726, 690, 691, 758,
&end
#
# 46 ALA MB 0 AMB m:28220 5.40 (# 28220.1 Single Ambig [QB 106 HB 45 HG 50] )
&rst
ixpk= 28220, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1= 718, 719, 720,
igr2=1653,1654, 699, 773,
&end
#
# 46 ALA MB 0 AMB m:28225 4.10 (# 28225.1 Single Ambig [QB 106 QB 38] )
&rst
ixpk= 28225, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 718, 719, 720,
igr2=1653,1654, 596, 597,
&end
#
# 46 ALA MB 0 AMB m:28229 4.70 (# 28229.1 Single Ambig [HN 106 MD1 50 MD2 50 MD 113] )
&rst
ixpk= 28229, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
igr1= 718, 719, 720,
igr2=1649, 775, 776, 777, 779, 780, 781,1777,1778,1779,
&end
#
# 46 ALA MB 138 VAL MG2 5.50 (# 28235.1 Unique )
&rst
ixpk= 28235, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 718, 719, 720,
igr2=2160,2161,2162,
&end
#
# 121 ALA HA 124 LEU MD1 3.40 (# 28238.1 Unique )
&rst
ixpk= 28238, nxpk= 0, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1936,1937,1938,
&end
#
# 121 ALA HA 0 AMB m:28241 6.00 (# 28241.1 Single Ambig [HG 124 QB 122] )
&rst
ixpk= 28241, nxpk= 0, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1934,1891,1892,
&end
#
# 46 ALA HA 0 AMB m:28245 6.00 (# 28245.1 Single Ambig [QB 109 QB 137] )
&rst
ixpk= 28245, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1704,1705,2137,2138,
&end
#
# 47 ALA MB 51 GLN QB 4.80 (# 28255.1 Unique )
&rst
ixpk= 28255, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 728, 729, 730,
igr2= 789, 790,
&end
#
# 49 ALA MB 0 AMB m:28258 4.50 (# 28258.1 Single Ambig [QB 141 HG 53 QB 50] )
&rst
ixpk= 28258, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 760, 761, 762,
igr2=2206,2207, 819, 770, 771,
&end
#
# 49 ALA MB 0 AMB m:28263 4.00 (# 28263.1 Single Ambig [HG 50 QB 48 HG 141] )
&rst
ixpk= 28263, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 760, 761, 762,
igr2= 773, 738, 739,2209,
&end
#
# 49 ALA MB 0 AMB m:28269 5.00 (# 28269.1 Single Ambig [MB 52 QB 141 QB 106 MB 47] )
&rst
ixpk= 28269, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 760, 761, 762,
igr2= 806, 807, 808,2206,2207,1653,1654, 728, 729, 730,
&end
#
# 0 AMB m:28275a 0 AMB m:28275b 6.00 (# 28275.1 Double Ambig [HG 50 HG 14] [HN 51 HN 12] )
&rst
ixpk= 28275, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 773, 234,
igr2= 785, 189,
&end
#
# 0 AMB m:28279a 0 AMB m:28279b 3.60 (# 28279.1 Double Ambig [HA 110 HA 50] [QB 110 HG 55] )
&rst
ixpk= 28279, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1721, 768,
igr2=1723,1724, 845,
&end
#
# 52 ALA HA 0 AMB m:28283 6.00 (# 28283.1 Single Ambig [HG 53 QB 53 QB 48] )
&rst
ixpk= 28283, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2= 819, 816, 817, 738, 739,
&end
#
# 53 LEU QB 0 AMB m:28291 4.30 (# 28291.1 Single Ambig [HG 55 MB 52] )
&rst
ixpk= 28291, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 816, 817,
igr2= 845, 806, 807, 808,
&end
#
# 16 LEU HG 13 VAL HA 5.30 (# 28295.1 Unique )
&rst
ixpk= 28295, nxpk= 0, iat= 263, 213, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 141 LEU MD1 45 ILE HA 5.60 (# 28298.1 Unique )
&rst
ixpk= 28298, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2211,2212,2213,
&end
#
# 53 LEU MD1 0 AMB m:28301 5.40 (# 28301.1 Single Ambig [HN 137 HN 54] )
&rst
ixpk= 28301, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 821, 822, 823,
igr2=2133, 831,
&end
#
# 53 LEU MD1 134 ALA HN 6.00 (# 28305.1 Unique )
&rst
ixpk= 28305, nxpk= 0, iat= -1,2082, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 821, 822, 823,
&end
#
# 53 LEU MD1 0 AMB m:28308 4.60 (# 28308.1 Single Ambig [MB 52 HG 55] )
&rst
ixpk= 28308, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 821, 822, 823,
igr2= 806, 807, 808, 845,
&end
#
# 55 LEU QB 0 AMB m:28316 6.00 (# 28316.1 Single Ambig [HA 50 QA 56] )
&rst
ixpk= 28316, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 842, 843,
igr2= 768, 859, 860,
&end
#
# 55 LEU QB 0 AMB m:28320 3.40 (# 28320.1 Single Ambig [MD 60 MD1 127] )
&rst
ixpk= 28320, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 842, 843,
igr2= 925, 926, 927,1983,1984,1985,
&end
#
# 55 LEU QB 0 AMB m:28324 6.00 (# 28324.1 Single Ambig [MG1 39 MG2 39] )
&rst
ixpk= 28324, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 842, 843,
igr2= 617, 618, 619, 621, 622, 623,
&end
#
# 55 LEU MD2 0 AMB m:28328 5.10 (# 28328.1 Single Ambig [HA 124 QA 54] )
&rst
ixpk= 28328, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1= 851, 852, 853,
igr2=1929, 833, 834,
&end
#
# 55 LEU MD2 60 ILE QG1 5.60 (# 28335.1 Unique )
&rst
ixpk= 28335, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 851, 852, 853,
igr2= 922, 923,
&end
#
# 55 LEU MD1 0 AMB m:28338 6.00 (# 28338.1 Single Ambig [HN 127 HN 56 HN 60] )
&rst
ixpk= 28338, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 847, 848, 849,
igr2=1974, 857, 912,
&end
#
# 55 LEU MD1 0 AMB m:28343 6.00 (# 28343.1 Single Ambig [HA 125 QA 56] )
&rst
ixpk= 28343, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 847, 848, 849,
igr2=1948, 859, 860,
&end
#
# 55 LEU MD1 0 AMB m:28347 6.00 (# 28347.1 Single Ambig [HA 50 HA 129] )
&rst
ixpk= 28347, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 847, 848, 849,
igr2= 768,2002,
&end
#
# 55 LEU MD1 0 AMB m:28351 3.90 (# 28351.1 Single Ambig [HB 129 HG 127 QB 53 QB 50] )
&rst
ixpk= 28351, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 847, 848, 849,
igr2=2004,1981, 816, 817, 770, 771,
&end
#
# 58 GLU HA 0 AMB m:28357 4.70 (# 28357.1 Single Ambig [QB 57 HA 57] )
&rst
ixpk= 28357, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 868, 869, 866,
&end
#
# 58 GLU HA 0 AMB m:28361 6.00 (# 28361.1 Single Ambig [MD1 36 QG1 60 MD2 127 MG1 123] )
&rst
ixpk= 28361, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 8.95, r4= 9.45,
igr2= 575, 576, 577, 922, 923,1987,1988,1989,1917,1918,
1919,
&end
#
# 58 GLU HA 0 AMB m:28367 5.40 (# 28367.1 Single Ambig [HB 60 QB 59] )
&rst
ixpk= 28367, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 916, 894, 895,
&end
#
# 58 GLU QG 0 AMB m:28371 5.80 (# 28371.1 Single Ambig [QB 62 QB 59] )
&rst
ixpk= 28371, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1= 882, 883,
igr2= 952, 953, 894, 895,
&end
#
# 0 AMB m:28379a 0 AMB m:28379b 6.00 (# 28379.1 Double Ambig [QG 58 QG 8] [QB 62 QB 9] )
&rst
ixpk= 28379, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 882, 883, 130, 131,
igr2= 952, 953, 142, 143,
&end
#
# 60 ILE HA 0 AMB m:28389 6.00 (# 28389.1 Single Ambig [MD1 50 MD2 124] )
&rst
ixpk= 28389, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 775, 776, 777,1940,1941,1942,
&end
#
# 60 ILE HA 0 AMB m:28393 5.40 (# 28393.1 Single Ambig [MG2 64 MG2 123] )
&rst
ixpk= 28393, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2= 995, 996, 997,1921,1922,1923,
&end
#
# 60 ILE HA 0 AMB m:28397 6.00 (# 28397.1 Single Ambig [HG 127 QB 59 QB 62] )
&rst
ixpk= 28397, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=1981, 894, 895, 952, 953,
&end
#
# 60 ILE HA 0 AMB m:28403 6.00 (# 28403.1 Single Ambig [QB 55 QB 127] )
&rst
ixpk= 28403, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 842, 843,1978,1979,
&end
#
# 60 ILE HB 0 AMB m:28407 4.20 (# 28407.1 Single Ambig [MG2 39 MG1 39] )
&rst
ixpk= 28407, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 621, 622, 623, 617, 618, 619,
&end
#
# 60 ILE QG1 0 AMB m:28411 6.00 (# 28411.1 Single Ambig [MG1 39 MG2 64] )
&rst
ixpk= 28411, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 922, 923,
igr2= 617, 618, 619, 995, 996, 997,
&end
#
# 60 ILE QG1 50 LEU MD1 6.00 (# 28415.1 Unique )
&rst
ixpk= 28415, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 922, 923,
igr2= 775, 776, 777,
&end
#
# 60 ILE MG2 0 AMB m:28418 6.00 (# 28418.1 Single Ambig [HA 57 HA 124] )
&rst
ixpk= 28418, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 918, 919, 920,
igr2= 866,1929,
&end
#
# 60 ILE MG2 0 AMB m:28422 5.40 (# 28422.1 Single Ambig [HG 124 QB 55 QB 127] )
&rst
ixpk= 28422, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.48, r4= 8.98,
igr1= 918, 919, 920,
igr2=1934, 842, 843,1978,1979,
&end
#
# 60 ILE MD 0 AMB m:28432 4.60 (# 28432.1 Single Ambig [HN 62 HN 51 HN 124] )
&rst
ixpk= 28432, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 925, 926, 927,
igr2= 948, 785,1927,
&end
#
# 78 ILE MD 0 AMB m:28441 6.00 (# 28441.1 Single Ambig [HA 19 HA 29] )
&rst
ixpk= 28441, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1207,1208,1209,
igr2= 304, 458,
&end
#
# 0 AMB m:28445a 0 AMB m:28445b 3.60 (# 28445.1 Double Ambig [MD 60 MD 78] [HA 57 HA 18] )
&rst
ixpk= 28445, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 925, 926, 927,1207,1208,1209,
igr2= 866, 287,
&end
#
# 60 ILE MD 0 AMB m:28449 6.00 (# 28449.1 Single Ambig [QA 56 HA 39 HA 50 HA 47] )
&rst
ixpk= 28449, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 925, 926, 927,
igr2= 859, 860, 613, 768, 726,
&end
#
# 108 ILE MD 108 ILE QG1 2.60 (# 28458.1 Unique )
&rst
ixpk= 28458, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1=1694,1695,1696,
igr2=1691,1692,
&end
#
# 61 GLN HA 0 AMB m:28477 4.50 (# 28477.1 Single Ambig [MG1 64 MG2 60] )
&rst
ixpk= 28477, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 991, 992, 993, 918, 919, 920,
&end
#
# 61 GLN HA 0 AMB m:28481 5.20 (# 28481.1 Single Ambig [HG 36 QB 36] )
&rst
ixpk= 28481, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 573, 570, 571,
&end
#
# 61 GLN HA 0 AMB m:28485 5.00 (# 28485.1 Single Ambig [HG 36 HB 60] )
&rst
ixpk= 28485, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 573, 916,
&end
#
# 61 GLN HA 0 AMB m:28489 6.00 (# 28489.1 Single Ambig [QB 36 QG1 60] )
&rst
ixpk= 28489, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 570, 571, 922, 923,
&end
#
# 61 GLN QB 0 AMB m:28493 6.00 (# 28493.1 Single Ambig [MD1 36 QG1 60]; orig = 4.40 )
&rst
ixpk= 28493, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 935, 936,
igr2= 575, 576, 577, 922, 923,
&end
#
# 61 GLN QB 0 AMB m:28497 6.00 (# 28497.1 Single Ambig [HG 36 QB 62] )
&rst
ixpk= 28497, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 935, 936,
igr2= 573, 952, 953,
&end
#
# 63 GLU HA 0 AMB m:28501 6.00 (# 28501.1 Single Ambig [MD1 127 MG2 60 MD2 35] )
&rst
ixpk= 28501, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2=1983,1984,1985, 918, 919, 920, 560, 561, 562,
&end
#
# 0 AMB m:28506a 0 AMB m:28506b 5.80 (# 28506.1 Double Ambig [QB 63 QB 8] [QD2 126 HN 62 HN 10 HN 124] )
&rst
ixpk= 28506, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
igr1= 974, 975, 127, 128,
igr2=1969,1970, 948, 162,1927,
&end
#
# 0 AMB m:28512 64 VAL HA 6.00 (# 28512.1 Single Ambig [QB 63 QB 65] )
&rst
ixpk= 28512, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 974, 975,1005,1006,
&end
#
# 63 GLU QB 0 AMB m:28516 6.00 (# 28516.1 Single Ambig [MG2 60 MD1 127] )
&rst
ixpk= 28516, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 974, 975,
igr2= 918, 919, 920,1983,1984,1985,
&end
#
# 63 GLU QB 0 AMB m:28520 4.10 (# 28520.1 Single Ambig [MG2 123 MG2 64] )
&rst
ixpk= 28520, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 974, 975,
igr2=1921,1922,1923, 995, 996, 997,
&end
#
# 63 GLU QG 0 AMB m:28524 5.20 (# 28524.1 Single Ambig [MD1 127 MG2 60] )
&rst
ixpk= 28524, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 977, 978,
igr2=1983,1984,1985, 918, 919, 920,
&end
#
# 63 GLU QG 0 AMB m:28528 4.70 (# 28528.1 Single Ambig [MD1 127 MG2 60] )
&rst
ixpk= 28528, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 977, 978,
igr2=1983,1984,1985, 918, 919, 920,
&end
#
# 63 GLU QG 0 AMB m:28532 5.60 (# 28532.1 Single Ambig [MG2 123 MG2 64] )
&rst
ixpk= 28532, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1= 977, 978,
igr2=1921,1922,1923, 995, 996, 997,
&end
#
# 63 GLU QG 0 AMB m:28536 6.00 (# 28536.1 Single Ambig [QB 62 QB 59] )
&rst
ixpk= 28536, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 977, 978,
igr2= 952, 953, 894, 895,
&end
#
# 64 VAL MG2 0 AMB m:28540 4.90 (# 28540.1 Single Ambig [HN 63 HN 36] )
&rst
ixpk= 28540, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 995, 996, 997,
igr2= 970, 566,
&end
#
# 64 VAL MG2 0 AMB m:28544 6.00 (# 28544.1 Single Ambig [QD2 126 HN 35 HN 120] )
&rst
ixpk= 28544, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 995, 996, 997,
igr2=1969,1970, 547,1867,
&end
#
# 64 VAL MG2 0 AMB m:28549 5.80 (# 28549.1 Single Ambig [HN 124 QD2 126] )
&rst
ixpk= 28549, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr1= 995, 996, 997,
igr2=1927,1969,1970,
&end
#
# 0 AMB m:28553a 0 AMB m:28553b 4.70 (# 28553.1 Double Ambig [MG2 64 MD2 131] [HN 123 HN 114 HN 132] )
&rst
ixpk= 28553, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 995, 996, 997,2040,2041,2042,
igr2=1911,1783,2046,
&end
#
# 0 AMB m:28558a 0 AMB m:28558b 6.00 (# 28558.1 Double Ambig [MD2 131 MG2 64] [QD2 132 HN 68 HN 133] )
&rst
ixpk= 28558, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=2040,2041,2042, 995, 996, 997,
igr2=2055,2056,1046,2060,
&end
#
# 64 VAL MG2 0 AMB m:28566 6.00 (# 28566.1 Single Ambig [HN 67 HN 121] )
&rst
ixpk= 28566, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 995, 996, 997,
igr2=1027,1877,
&end
#
# 64 VAL MG2 60 ILE HA 6.00 (# 28570.1 Unique )
&rst
ixpk= 28570, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 995, 996, 997,
&end
#
# 64 VAL MG2 32 GLU HA 4.10 (# 28573.1 Unique )
&rst
ixpk= 28573, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 995, 996, 997,
&end
#
# 64 VAL MG2 63 GLU HA 6.00 (# 28576.1 Unique )
&rst
ixpk= 28576, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 995, 996, 997,
&end
#
# 0 AMB m:28579a 0 AMB m:28579b 6.00 (# 28579.1 Double Ambig [MG2 64 MD2 131] [QG 32 MB 134] )
&rst
ixpk= 28579, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 995, 996, 997,2040,2041,2042,
igr2= 503, 504,2086,2087,2088,
&end
#
# 64 VAL MG2 0 AMB m:28583 6.00 (# 28583.1 Single Ambig [HG 35 QB 35] )
&rst
ixpk= 28583, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 995, 996, 997,
igr2= 554, 551, 552,
&end
#
# 64 VAL MG2 0 AMB m:28587 3.60 (# 28587.1 Single Ambig [HB 123 QB 63] )
&rst
ixpk= 28587, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 995, 996, 997,
igr2=1915, 974, 975,
&end
#
# 64 VAL MG2 0 AMB m:28591 6.00 (# 28591.1 Single Ambig [MB 120 QG 32] )
&rst
ixpk= 28591, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 995, 996, 997,
igr2=1871,1872,1873, 503, 504,
&end
#
# 129 VAL MG2 128 GLY QA 6.00 (# 28599.1 Unique )
&rst
ixpk= 28599, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2010,2011,2012,
igr2=1995,1996,
&end
#
# 66 SER QB 0 AMB m:28605 5.80 (# 28605.1 Single Ambig [MD2 67 MD1 67 MD1 24] )
&rst
ixpk= 28605, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.39, r4= 9.89,
igr1=1020,1021,
igr2=1040,1041,1042,1036,1037,1038, 394, 395, 396,
&end
#
# 66 SER QB 0 AMB m:28610 5.80 (# 28610.1 Single Ambig [HG 67 QB 67] )
&rst
ixpk= 28610, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1020,1021,
igr2=1034,1031,1032,
&end
#
# 67 LEU HG 67 LEU HN 3.60 (# 28614.1 Unique )
&rst
ixpk= 28614, nxpk= 0, iat=1034,1027, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 68 ILE HB 0 AMB m:28617 6.00 (# 28617.1 Single Ambig [HE1 33 HE 70] )
&rst
ixpk= 28617, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 520,1085,
&end
#
# 0 AMB m:28624a 0 AMB m:28624b 3.90 (# 28624.1 Double Ambig [QB 48 QG1 68] [QB 48 QB 67] )
#This appears to be self-referential: ignoring
#
# 68 ILE MG2 0 AMB m:28638 6.00 (# 28638.1 Single Ambig [HA 32 QA 118] )
&rst
ixpk= 28638, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1052,1053,1054,
igr2= 498,1846,1847,
&end
#
# 68 ILE MG2 0 AMB m:28642 6.00 (# 28642.1 Single Ambig [QA 69 QA 30] )
&rst
ixpk= 28642, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1052,1053,1054,
igr2=1067,1068, 477, 478,
&end
#
# 68 ILE MG2 0 AMB m:28646 6.00 (# 28646.1 Single Ambig [QA 118 QA 69 HA 33] )
&rst
ixpk= 28646, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1052,1053,1054,
igr2=1846,1847,1067,1068, 513,
&end
#
# 68 ILE MG2 32 GLU QG 5.80 (# 28654.1 Unique )
&rst
ixpk= 28654, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1052,1053,1054,
igr2= 503, 504,
&end
#
# 68 ILE MG2 0 AMB m:28662 6.00 (# 28662.1 Single Ambig [HB 64 QG 65] )
&rst
ixpk= 28662, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1052,1053,1054,
igr2= 989,1008,1009,
&end
#
# 68 ILE MD 69 GLY HN 6.00 (# 28666.1 Unique )
&rst
ixpk= 28666, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1059,1060,1061,
&end
#
# 68 ILE MD 33 HIS HA 6.00 (# 28673.1 Unique )
&rst
ixpk= 28673, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1059,1060,1061,
&end
#
# 74 MET HA 74 MET QB 4.50 (# 28676.1 Unique )
&rst
ixpk= 28676, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1139,1140,
&end
#
# 77 THR MG2 0 AMB m:28689 6.00 (# 28689.1 Single Ambig [HN 76 HE1 79] )
&rst
ixpk= 28689, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1186,1187,1188,
igr2=1163,1222,
&end
#
# 77 THR MG2 0 AMB m:28693 6.00 (# 28693.1 Single Ambig [QB 76 QB 18] )
&rst
ixpk= 28693, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1186,1187,1188,
igr2=1167,1168, 289, 290,
&end
#
# 77 THR MG2 0 AMB m:28697 6.00 (# 28697.1 Single Ambig [QB 76 QB 74] )
&rst
ixpk= 28697, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1186,1187,1188,
igr2=1167,1168,1139,1140,
&end
#
# 78 ILE MD 22 LEU QB 6.00 (# 28701.1 Unique; orig = 4.10 )
&rst
ixpk= 28701, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1207,1208,1209,
igr2= 346, 347,
&end
#
# 60 ILE MD 0 AMB m:28704 3.40 (# 28704.1 Single Ambig [QB 50 HG 35] )
&rst
ixpk= 28704, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 925, 926, 927,
igr2= 770, 771, 554,
&end
#
# 60 ILE MD 0 AMB m:28708 4.50 (# 28708.1 Single Ambig [QB 50 QB 59] )
&rst
ixpk= 28708, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 925, 926, 927,
igr2= 770, 771, 894, 895,
&end
#
# 78 ILE MD 0 AMB m:28716 6.00 (# 28716.1 Single Ambig [QB 18 QB 20 QB 19 QG 19] )
&rst
ixpk= 28716, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1207,1208,1209,
igr2= 289, 290, 321, 322, 306, 307, 309, 310,
&end
#
# 60 ILE MD 0 AMB m:28722 5.60 (# 28722.1 Single Ambig [QB 61 QB 58 HB 123] )
&rst
ixpk= 28722, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.79, r4= 9.29,
igr1= 925, 926, 927,
igr2= 935, 936, 879, 880,1915,
&end
#
# 83 ARG QB 0 AMB m:28727 4.90 (# 28727.1 Single Ambig [HA 83 QA 118] )
&rst
ixpk= 28727, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1283,1284,
igr2=1281,1846,1847,
&end
#
# 0 AMB m:28735a 0 AMB m:28735b 4.00 (# 28735.1 Double Ambig [QB 83 QB 9] [QB 83 QB 9] )
#This appears to be self-referential: ignoring
#
# 0 AMB m:28743a 0 AMB m:28743b 3.90 (# 28743.1 Double Ambig [QB 9 QB 83] [QB 9 QB 83] )
#This appears to be self-referential: ignoring
#
# 83 ARG HA 0 AMB m:28747 5.20 (# 28747.1 Single Ambig [QG 115 QB 82] )
&rst
ixpk= 28747, nxpk= 0, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=1814,1815,1272,1273,
&end
#
# 83 ARG HA 87 VAL MG2 6.00 (# 28751.1 Unique )
&rst
ixpk= 28751, nxpk= 0, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1367,1368,1369,
&end
#
# 83 ARG HA 31 THR MG2 6.00 (# 28754.1 Unique )
&rst
ixpk= 28754, nxpk= 0, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 488, 489, 490,
&end
#
# 83 ARG QB 0 AMB m:28757 4.50 (# 28757.1 Single Ambig [HA 83 QA 118] )
&rst
ixpk= 28757, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1283,1284,
igr2=1281,1846,1847,
&end
#
# 83 ARG QB 31 THR MG2 5.60 (# 28761.1 Unique )
&rst
ixpk= 28761, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1283,1284,
igr2= 488, 489, 490,
&end
#
# 83 ARG QB 115 GLU QG 4.60 (# 28764.1 Unique )
&rst
ixpk= 28764, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1283,1284,
igr2=1814,1815,
&end
#
# 0 AMB m:28771a 0 AMB m:28771b 4.00 (# 28771.1 Double Ambig [HA 84 HA 10] [MG1 87 MD 108 MD2 38 MD 34 MD2 14] )
&rst
ixpk= 28771, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1=1305, 164,
igr2=1363,1364,1365,1694,1695,1696, 605, 606, 607, 541,
542, 543, 240, 241, 242,
&end
#
# 84 ALA MB 0 AMB m:28778 6.00 (# 28778.1 Single Ambig [HA 83 HA 86] )
&rst
ixpk= 28778, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1307,1308,1309,
igr2=1281,1337,
&end
#
# 0 AMB m:28786a 0 AMB m:28786b 5.60 (# 28786.1 Double Ambig [HA 13 HA 87] [QG 41 QG 115] )
&rst
ixpk= 28786, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
igr1= 213,1359,
igr2= 658, 659,1814,1815,
&end
#
# 88 ILE HA 0 AMB m:28790 4.80 (# 28790.1 Single Ambig [MG1 87 MD 34 MD 108 MD2 14] )
&rst
ixpk= 28790, nxpk= 0, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr2=1363,1364,1365, 541, 542, 543,1694,1695,1696, 240,
241, 242,
&end
#
# 88 ILE QG1 0 AMB m:28796 5.60 (# 28796.1 Single Ambig [MD 34 MG1 87 MD2 14 MG2 34] )
&rst
ixpk= 28796, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,
igr1=1383,1384,
igr2= 541, 542, 543,1363,1364,1365, 240, 241, 242, 534,
535, 536,
&end
#
# 88 ILE QG1 87 VAL HB 5.30 (# 28802.1 Unique )
&rst
ixpk= 28802, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1383,1384,
&end
#
# 88 ILE QG1 0 AMB m:28812 6.00 (# 28812.1 Single Ambig [HN 89 HN 87] )
&rst
ixpk= 28812, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1383,1384,
igr2=1392,1357,
&end
#
# 88 ILE MG2 0 AMB m:28819 6.00 (# 28819.1 Single Ambig [QA 4 HA 92] )
&rst
ixpk= 28819, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1379,1380,1381,
igr2= 60, 61,1439,
&end
#
# 88 ILE MG2 0 AMB m:28823 6.00 (# 28823.1 Single Ambig [ME 2 QG1 108] )
&rst
ixpk= 28823, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1379,1380,1381,
igr2= 32, 33, 34,1691,1692,
&end
#
# 88 ILE MG2 0 AMB m:28827 6.00 (# 28827.1 Single Ambig [QB 92 QB 89] )
&rst
ixpk= 28827, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1379,1380,1381,
igr2=1441,1442,1396,1397,
&end
#
# 88 ILE MD 0 AMB m:28831 6.00 (# 28831.1 Single Ambig [QA 111 HA 85] )
&rst
ixpk= 28831, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1386,1387,1388,
igr2=1740,1741,1315,
&end
#
# 88 ILE MD 0 AMB m:28835 5.80 (# 28835.1 Single Ambig [HB 34 HB 108] )
&rst
ixpk= 28835, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1386,1387,1388,
igr2= 532,1685,
&end
#
# 88 ILE MD 0 AMB m:28839 6.00 (# 28839.1 Single Ambig [QG1 34 QG1 108] )
&rst
ixpk= 28839, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1386,1387,1388,
igr2= 538, 539,1691,1692,
&end
#
# 65 GLU HA 0 AMB m:28847 5.80 (# 28847.1 Single Ambig [MD2 24 MG2 68 MD2 36] )
&rst
ixpk= 28847, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr2= 398, 399, 400,1052,1053,1054, 579, 580, 581,
&end
#
# 0 AMB m:28852a 0 AMB m:28852b 6.00 (# 28852.1 Double Ambig [QG 41 QG 89] [HN 43 HN 15 HN 4 HN 3]; orig = 4.20 )
&rst
ixpk= 28852, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 658, 659,1399,1400,
igr2= 673, 246, 58, 38,
&end
#
# 0 AMB m:28858a 0 AMB m:28858b 4.80 (# 28858.1 Double Ambig [QG 41 QG 89] [HA 12 HA 86] )
&rst
ixpk= 28858, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 658, 659,1399,1400,
igr2= 191,1337,
&end
#
# 41 GLU QG 16 LEU MD1 6.00 (# 28862.1 Unique )
&rst
ixpk= 28862, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 658, 659,
igr2= 265, 266, 267,
&end
#
# 0 AMB m:28865a 0 AMB m:28865b 6.00 (# 28865.1 Double Ambig [QG 89 QG 41] [QB 85 MG2 31 MG2 105 HB 103] )
&rst
ixpk= 28865, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1399,1400, 658, 659,
igr2=1317,1318, 488, 489, 490,1641,1642,1643,1616,
&end
#
# 0 AMB m:28871a 0 AMB m:28871b 6.00 (# 28871.1 Double Ambig [QG 89 QG 41] [HA 86 HA 12] )
&rst
ixpk= 28871, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1399,1400, 658, 659,
igr2=1337, 191,
&end
#
# 90 LEU QB 111 GLY QA 5.20 (# 28875.1 Unique )
&rst
ixpk= 28875, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1411,1412,
igr2=1740,1741,
&end
#
# 90 LEU QB 0 AMB m:28878 4.50 (# 28878.1 Single Ambig [HG 90 QB 114] )
&rst
ixpk= 28878, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1411,1412,
igr2=1414,1787,1788,
&end
#
# 90 LEU MD2 0 AMB m:28882 6.00 (# 28882.1 Single Ambig [HN 115 HN 89 HN 87] )
&rst
ixpk= 28882, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1420,1421,1422,
igr2=1807,1392,1357,
&end
#
# 90 LEU MD1 111 GLY QA 6.00 (# 28887.1 Unique )
&rst
ixpk= 28887, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1416,1417,1418,
igr2=1740,1741,
&end
#
# 90 LEU MD1 0 AMB m:28890 6.00 (# 28890.1 Single Ambig [QB 86 QG 115] )
&rst
ixpk= 28890, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1416,1417,1418,
igr2=1339,1340,1814,1815,
&end
#
# 93 ASP QB 94 GLU QB 6.00 (# 28894.1 Unique )
&rst
ixpk= 28894, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1458,1459,
igr2=1470,1471,
&end
#
# 93 ASP QB 0 AMB m:28902 6.00 (# 28902.1 Single Ambig [HA 94 HA 92] )
&rst
ixpk= 28902, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1458,1459,
igr2=1468,1439,
&end
#
# 94 GLU QG 0 AMB m:28906 4.80 (# 28906.1 Single Ambig [HA 94 QB 107] )
&rst
ixpk= 28906, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1473,1474,
igr2=1468,1668,1669,
&end
#
# 41 GLU QG 0 AMB m:28913 5.40 (# 28913.1 Single Ambig [MD1 16 MG2 13 MD2 38] )
&rst
ixpk= 28913, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.74, r4= 9.24,
igr1= 658, 659,
igr2= 265, 266, 267, 221, 222, 223, 605, 606, 607,
&end
#
# 95 ALA MB 94 GLU QB 6.00 (# 28918.1 Unique )
&rst
ixpk= 28918, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1485,1486,1487,
igr2=1470,1471,
&end
#
# 95 ALA MB 0 AMB m:28921 6.00 (# 28921.1 Single Ambig [HA 107 HA 91] )
&rst
ixpk= 28921, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1485,1486,1487,
igr2=1666,1428,
&end
#
# 95 ALA MB 0 AMB m:28925 5.40 (# 28925.1 Single Ambig [QB 96 QB 97] )
&rst
ixpk= 28925, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1=1485,1486,1487,
igr2=1495,1496,1519,1520,
&end
#
# 97 LYS HA 96 ARG HN 6.00 (# 28930.1 Unique )
&rst
ixpk= 28930, nxpk= 0, iat=1517,1491, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 LEU MD1 0 AMB m:28941 5.80 (# 28941.1 Single Ambig [HA 46 HA 106 HA 121] )
&rst
ixpk= 28941, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr1=1709,1710,1711,
igr2= 716,1651,1879,
&end
#
# 109 LEU MD1 0 AMB m:28946 4.00 (# 28946.1 Single Ambig [HG 112 HG 50 QG1 113] )
&rst
ixpk= 28946, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1709,1710,1711,
igr2=1752, 773,1774,1775,
&end
#
# 109 LEU MD1 112 LEU QB 6.00 (# 28951.1 Unique )
&rst
ixpk= 28951, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1709,1710,1711,
igr2=1749,1750,
&end
#
# 103 VAL HA 0 AMB m:28957 6.00 (# 28957.1 Single Ambig [HN 108 HN 92 HE1 100] )
&rst
ixpk= 28957, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1681,1437,1572,
&end
#
# 103 VAL HA 0 AMB m:28962 5.80 (# 28962.1 Single Ambig [QB 107 HA 92] )
&rst
ixpk= 28962, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1668,1669,1439,
&end
#
# 103 VAL MG1 104 GLY QA 6.00 (# 28966.1 Unique )
&rst
ixpk= 28966, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1618,1619,1620,
igr2=1630,1631,
&end
#
# 103 VAL MG1 0 AMB m:28973 5.80 (# 28973.1 Single Ambig [HN 95 HN 96] )
&rst
ixpk= 28973, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1618,1619,1620,
igr2=1481,1491,
&end
#
# 103 VAL MG1 7 THR HN 6.00 (# 28977.1 Unique )
&rst
ixpk= 28977, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1618,1619,1620,
&end
#
# 103 VAL MG1 92 MET QB 6.00 (# 28980.1 Unique )
&rst
ixpk= 28980, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1618,1619,1620,
igr2=1441,1442,
&end
#
# 103 VAL MG2 0 AMB m:28983 6.00 (# 28983.1 Single Ambig [HN 91 HN 94] )
&rst
ixpk= 28983, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1622,1623,1624,
igr2=1426,1466,
&end
#
# 103 VAL MG2 0 AMB m:28987 6.00 (# 28987.1 Single Ambig [HN 6 HN 105] )
&rst
ixpk= 28987, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1622,1623,1624,
igr2= 89,1635,
&end
#
# 103 VAL MG2 0 AMB m:28994 5.00 (# 28994.1 Single Ambig [HN 95 HN 96] )
&rst
ixpk= 28994, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1622,1623,1624,
igr2=1481,1491,
&end
#
# 103 VAL MG2 0 AMB m:28998 6.00 (# 28998.1 Single Ambig [QB 3 QB 6] )
&rst
ixpk= 28998, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1622,1623,1624,
igr2= 42, 43, 93, 94,
&end
#
# 103 VAL MG2 0 AMB m:29002 6.00 (# 29002.1 Single Ambig [QB 107 QB 6] )
&rst
ixpk= 29002, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1622,1623,1624,
igr2=1668,1669, 93, 94,
&end
#
# 103 VAL MG2 92 MET QB 4.30 (# 29006.1 Unique )
&rst
ixpk= 29006, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1622,1623,1624,
igr2=1441,1442,
&end
#
# 103 VAL MG2 0 AMB m:29009 6.00 (# 29009.1 Single Ambig [QG 106 QB 5 HG 14 QB 106] )
&rst
ixpk= 29009, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
igr1=1622,1623,1624,
igr2=1656,1657, 69, 70, 234,1653,1654,
&end
#
# 103 VAL MG2 0 AMB m:29015 6.00 (# 29015.1 Single Ambig [QB 5 QB 9 QB 96] )
&rst
ixpk= 29015, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1622,1623,1624,
igr2= 69, 70, 142, 143,1495,1496,
&end
#
# 106 GLU HA 0 AMB m:29020 4.60 (# 29020.1 Single Ambig [MG2 138 MD2 139 MD2 142] )
&rst
ixpk= 29020, nxpk= 0, iat=1651, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2=2160,2161,2162,2179,2180,2181,2234,2235,2236,
&end
#
# 106 GLU HA 0 AMB m:29025 3.10 (# 29025.1 Single Ambig [MG1 138 MD2 109] )
&rst
ixpk= 29025, nxpk= 0, iat=1651, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=2156,2157,2158,1713,1714,1715,
&end
#
# 0 AMB m:29029a 0 AMB m:29029b 3.30 (# 29029.1 Double Ambig [HG 141 QB 106] [QB 141 QB 142] )
&rst
ixpk= 29029, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=2209,1653,1654,
igr2=2206,2207,2225,2226,
&end
#
# 106 GLU QB 0 AMB m:29033 5.60 (# 29033.1 Single Ambig [QB 109 HG 110] )
&rst
ixpk= 29033, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1653,1654,
igr2=1704,1705,1726,
&end
#
# 106 GLU QB 0 AMB m:29037 6.00 (# 29037.1 Single Ambig [HN 105 HN 139 HN 138] )
&rst
ixpk= 29037, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1653,1654,
igr2=1635,2166,2150,
&end
#
# 0 AMB m:29042a 0 AMB m:29042b 4.40 (# 29042.1 Double Ambig [QB 48 QG 106] [MD1 141 MD2 142 MD1 110 MD2 139 MG2 138] )
&rst
ixpk= 29042, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.71, r4= 9.21,
igr1= 738, 739,1656,1657,
igr2=2211,2212,2213,2234,2235,2236,1728,1729,1730,2179,
2180,2181,2160,2161,2162,
&end
#
# 113 ILE HA 0 AMB m:29049 6.00 (# 29049.1 Single Ambig [HA 131 HA 110] )
&rst
ixpk= 29049, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2029,1721,
&end
#
# 113 ILE HA 0 AMB m:29053 6.00 (# 29053.1 Single Ambig [QA 116 HA 112] )
&rst
ixpk= 29053, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1824,1825,1747,
&end
#
# 113 ILE HB 0 AMB m:29057 6.00 (# 29057.1 Single Ambig [MD2 110 MG1 129 MD2 109 MD1 112] )
&rst
ixpk= 29057, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2=1732,1733,1734,2006,2007,2008,1713,1714,1715,1754,
1755,1756,
&end
#
# 113 ILE HB 0 AMB m:29063 4.00 (# 29063.1 Single Ambig [HA 131 HA 110] )
&rst
ixpk= 29063, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2029,1721,
&end
#
# 0 AMB m:29067a 0 AMB m:29067b 5.20 (# 29067.1 Double Ambig [QG1 113 QB 9] [MB 134 MG1 13 QB 112] )
&rst
ixpk= 29067, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77,
igr1=1774,1775, 142, 143,
igr2=2086,2087,2088, 217, 218, 219,1749,1750,
&end
#
# 113 ILE QG1 110 LEU HA 4.80 (# 29072.1 Unique )
&rst
ixpk= 29072, nxpk= 0, iat= -1,1721, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1774,1775,
&end
#
# 113 ILE MG2 0 AMB m:29075 6.00 (# 29075.1 Single Ambig [HN 125 HN 112] )
&rst
ixpk= 29075, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1770,1771,1772,
igr2=1946,1745,
&end
#
# 113 ILE MG2 0 AMB m:29079 6.00 (# 29079.1 Single Ambig [HA 135 HA 120] )
&rst
ixpk= 29079, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1770,1771,1772,
igr2=2094,1869,
&end
#
# 113 ILE MG2 0 AMB m:29086 6.00 (# 29086.1 Single Ambig [QA 116 HA 112 HA 133] )
&rst
ixpk= 29086, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1770,1771,1772,
igr2=1824,1825,1747,2062,
&end
#
# 113 ILE MD 0 AMB m:29095 6.00 (# 29095.1 Single Ambig [QB 109 HG 110] )
&rst
ixpk= 29095, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1777,1778,1779,
igr2=1704,1705,1726,
&end
#
# 113 ILE MD 114 ARG HN 6.00 (# 29099.1 Unique )
&rst
ixpk= 29099, nxpk= 0, iat= -1,1783, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1777,1778,1779,
&end
#
# 119 VAL MG1 0 AMB m:29105 5.40 (# 29105.1 Single Ambig [HN 122 HN 63] )
&rst
ixpk= 29105, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1857,1858,1859,
igr2=1887, 970,
&end
#
# 121 ALA HA 0 AMB m:29109 5.80 (# 29109.1 Single Ambig [QB 122 HG 131] )
&rst
ixpk= 29109, nxpk= 0, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1891,1892,2034,
&end
#
# 0 AMB m:29113a 0 AMB m:29113b 6.00 (# 29113.1 Double Ambig [QB 27 QB 3] [HN 75 HN 103] )
&rst
ixpk= 29113, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 432, 433, 42, 43,
igr2=1152,1612,
&end
#
# 131 LEU MD1 132 ASN QD2 6.00 (# 29120.1 Unique )
&rst
ixpk= 29120, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2036,2037,2038,
igr2=2055,2056,
&end
#
# 110 LEU MD1 0 AMB m:29123 6.00 (# 29123.1 Single Ambig [QA 111 HA 106] )
&rst
ixpk= 29123, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1728,1729,1730,
igr2=1740,1741,1651,
&end
#
# 139 LEU QB 0 AMB m:29131 5.80 (# 29131.1 Single Ambig [MD2 110 MG1 138] )
&rst
ixpk= 29131, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr1=2170,2171,
igr2=1732,1733,1734,2156,2157,2158,
&end
#
# 141 LEU MD2 52 ALA HN 6.00 (# 29139.1 Unique )
&rst
ixpk= 29139, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2215,2216,2217,
&end
#
# 141 LEU MD2 0 AMB m:29142 6.00 (# 29142.1 Single Ambig [HN 142 HN 50 HN 46] )
&rst
ixpk= 29142, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2215,2216,2217,
igr2=2221, 766, 714,
&end
#
# 141 LEU MD2 0 AMB m:29147 6.00 (# 29147.1 Single Ambig [HN 48 HN 51 HN 140] )
&rst
ixpk= 29147, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2215,2216,2217,
igr2= 734, 785,2185,
&end
#
# 141 LEU MD2 0 AMB m:29158 6.00 (# 29158.1 Single Ambig [QB 137 QB 140] )
&rst
ixpk= 29158, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2215,2216,2217,
igr2=2137,2138,2189,2190,
&end
#
# 141 LEU MD2 0 AMB m:29162 6.00 (# 29162.1 Single Ambig [QB 137 QB 140] )
&rst
ixpk= 29162, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2215,2216,2217,
igr2=2137,2138,2189,2190,
&end
#
# 141 LEU MD2 137 GLN QB 6.00 (# 29166.1 Unique )
&rst
ixpk= 29166, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2215,2216,2217,
igr2=2137,2138,
&end
#
# 139 LEU MD2 142 LEU QB 6.00 (# 29169.1 Unique )
&rst
ixpk= 29169, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2179,2180,2181,
igr2=2225,2226,
&end
#
# 0 AMB m:29172a 0 AMB m:29172b 3.80 (# 29172.1 Double Ambig [QB 115 QB 41] [MD1 90 MD1 16] )
&rst
ixpk= 29172, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1811,1812, 655, 656,
igr2=1416,1417,1418, 265, 266, 267,
&end
#
# 114 ARG HA 0 AMB m:29183 4.60 (# 29183.1 Single Ambig [QB 114 HG 131] )
&rst
ixpk= 29183, nxpk= 0, iat=1785, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1787,1788,2034,
&end
#
# 114 ARG QB 0 AMB m:29187 6.00 (# 29187.1 Single Ambig [MD2 90 MD1 131] )
&rst
ixpk= 29187, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1787,1788,
igr2=1420,1421,1422,2036,2037,2038,
&end
#
# 114 ARG QB 0 AMB m:29191 6.00 (# 29191.1 Single Ambig [MD2 90 MD1 90] )
&rst
ixpk= 29191, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1787,1788,
igr2=1420,1421,1422,1416,1417,1418,
&end
#
# 114 ARG QB 0 AMB m:29195 6.00 (# 29195.1 Single Ambig [MD2 131 MD1 110] )
&rst
ixpk= 29195, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1787,1788,
igr2=2040,2041,2042,1728,1729,1730,
&end
#
# 114 ARG QB 114 ARG QB 3.80 (# 29202.1 Unique )
#This appears to be self-referential: ignoring
#
# 114 ARG QB 0 AMB m:29207 6.00 (# 29207.1 Single Ambig [QB 90 QG 94] )
&rst
ixpk= 29207, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1787,1788,
igr2=1411,1412,1473,1474,
&end
#
# 112 LEU HA 0 AMB m:29211 2.70 (# 29211.1 Single Ambig [QB 112 MG2 87] )
&rst
ixpk= 29211, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1749,1750,1367,1368,1369,
&end
#
# 112 LEU QB 0 AMB m:29215 4.10 (# 29215.1 Single Ambig [MD1 112 MD1 109 MG1 87 MD2 35] )
&rst
ixpk= 29215, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=1749,1750,
igr2=1754,1755,1756,1709,1710,1711,1363,1364,1365, 560,
561, 562,
&end
#
# 112 LEU MD1 0 AMB m:29228 5.40 (# 29228.1 Single Ambig [HA 31 HA 120] )
&rst
ixpk= 29228, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1754,1755,1756,
igr2= 484,1869,
&end
#
# 112 LEU MD1 31 THR HB 5.60 (# 29232.1 Unique )
&rst
ixpk= 29232, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1754,1755,1756,
&end
#
# 112 LEU MD1 38 LEU HG 6.00 (# 29235.1 Unique )
&rst
ixpk= 29235, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1754,1755,1756,
&end
#
# 112 LEU MD2 109 LEU HA 6.00 (# 29238.1 Unique )
&rst
ixpk= 29238, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1758,1759,1760,
&end
#
# 0 AMB m:29241a 0 AMB m:29241b 4.10 (# 29241.1 Double Ambig [QB 110 QB 50] [MD2 110 MD2 50 MD 60] )
&rst
ixpk= 29241, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1=1723,1724, 770, 771,
igr2=1732,1733,1734, 779, 780, 781, 925, 926, 927,
&end
#
# 110 LEU QB 0 AMB m:29246 3.30 (# 29246.1 Single Ambig [QG 94 HG 110] )
&rst
ixpk= 29246, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=1723,1724,
igr2=1473,1474,1726,
&end
#
# 110 LEU MD2 138 VAL HA 6.00 (# 29250.1 Unique )
&rst
ixpk= 29250, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1732,1733,1734,
&end
#
# 98 LEU MD2 99 GLY HN 5.80 (# 29253.1 Unique )
&rst
ixpk= 29253, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1550,1551,1552,
&end
#
# 0 AMB m:29256a 0 AMB m:29256b 4.70 (# 29256.1 Double Ambig [QB 109 QB 35] [HA 106 HA 32 HA 46] )
&rst
ixpk= 29256, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1=1704,1705, 551, 552,
igr2=1651, 498, 716,
&end
#
# 0 AMB m:29261a 0 AMB m:29261b 6.00 (# 29261.1 Double Ambig [QB 35 QB 109] [HG 112 QB 106 HG 50 QG1 113 QB 32] )
&rst
ixpk= 29261, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1= 551, 552,1704,1705,
igr2=1752,1653,1654, 773,1774,1775, 500, 501,
&end
#
# 0 AMB m:29269a 0 AMB m:29269b 6.00 (# 29269.1 Double Ambig [QB 109 QB 35] [MD 113 MD2 124 MD1 50 MD1 124] )
&rst
ixpk= 29269, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1704,1705, 551, 552,
igr2=1777,1778,1779,1940,1941,1942, 775, 776, 777,1936,
1937,1938,
&end
#
# 109 LEU QB 0 AMB m:29276 5.00 (# 29276.1 Single Ambig [HA 106 HA 46] )
&rst
ixpk= 29276, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1704,1705,
igr2=1651, 716,
&end
#
# 109 LEU QB 0 AMB m:29280 3.50 (# 29280.1 Single Ambig [MD2 109 MD1 109 MD1 112] )
&rst
ixpk= 29280, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1704,1705,
igr2=1713,1714,1715,1709,1710,1711,1754,1755,1756,
&end
#
# 109 LEU HG 0 AMB m:29285 6.00 (# 29285.1 Single Ambig [HA 46 HA 106] )
&rst
ixpk= 29285, nxpk= 0, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 716,1651,
&end
#
# 0 AMB m:29295a 0 AMB m:29295b 3.50 (# 29295.1 Double Ambig [QB 12 QB 62] [HN 12 HN 62] )
&rst
ixpk= 29295, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 193, 194, 952, 953,
igr2= 189, 948,
&end
#
# 34 ILE HA 0 AMB m:29299 4.70 (# 29299.1 Single Ambig [MG2 13 MD1 38 MD2 112 MD2 38] )
&rst
ixpk= 29299, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr2= 221, 222, 223, 601, 602, 603,1758,1759,1760, 605,
606, 607,
&end
#
# 34 ILE MG2 0 AMB m:29309 6.00 (# 29309.1 Single Ambig [HN 38 HN 31] )
&rst
ixpk= 29309, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 534, 535, 536,
igr2= 592, 482,
&end
#
# 34 ILE MG2 0 AMB m:29313 5.60 (# 29313.1 Single Ambig [HA 14 HA 38] )
&rst
ixpk= 29313, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 534, 535, 536,
igr2= 229, 594,
&end
#
# 34 ILE MG2 0 AMB m:29317 6.00 (# 29317.1 Single Ambig [HA 109 HA 84 HA 10] )
&rst
ixpk= 29317, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 534, 535, 536,
igr2=1702,1305, 164,
&end
#
# 34 ILE MD 84 ALA HA 4.30 (# 29325.1 Unique )
&rst
ixpk= 29325, nxpk= 0, iat= -1,1305, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 541, 542, 543,
&end
#
# 35 LEU HA 0 AMB m:29335 2.80 (# 29335.1 Single Ambig [QB 38 QB 35] )
&rst
ixpk= 29335, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 596, 597, 551, 552,
&end
#
# 35 LEU HA 39 VAL MG2 6.00 (# 29339.1 Unique )
&rst
ixpk= 29339, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 621, 622, 623,
&end
#
# 0 AMB m:29342a 0 AMB m:29342b 5.40 (# 29342.1 Double Ambig [QB 35 QB 109] [QB 112 MB 49 MB 134] )
&rst
ixpk= 29342, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12,
igr1= 551, 552,1704,1705,
igr2=1749,1750, 760, 761, 762,2086,2087,2088,
&end
#
# 0 AMB m:29347a 0 AMB m:29347b 6.00 (# 29347.1 Double Ambig [QB 35 QB 109] [MG2 64 MD1 110 MG2 123] )
&rst
ixpk= 29347, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 551, 552,1704,1705,
igr2= 995, 996, 997,1728,1729,1730,1921,1922,1923,
&end
#
# 35 LEU QB 0 AMB m:29352 4.90 (# 29352.1 Single Ambig [MD1 35 MD1 38 MD2 112 MD1 109] )
&rst
ixpk= 29352, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 551, 552,
igr2= 556, 557, 558, 601, 602, 603,1758,1759,1760,1709,
1710,1711,
&end
#
# 27 ASN HA 22 LEU MD2 5.20 (# 29361.1 Unique )
&rst
ixpk= 29361, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 355, 356, 357,
&end
#
# 57 SER HA 39 VAL HB 4.50 (# 29364.1 Unique )
&rst
ixpk= 29364, nxpk= 0, iat= 866, 615, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 SER HA 0 AMB m:29367 5.60 (# 29367.1 Single Ambig [QB 58 QB 61] )
&rst
ixpk= 29367, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2= 879, 880, 935, 936,
&end
#
# 0 AMB m:29372a 0 AMB m:29372b 5.00 (# 29372.1 Double Ambig [HA 138 HA 13] [QB 141 QB 106 MB 17] )
&rst
ixpk= 29372, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1=2152, 213,
igr2=2206,2207,1653,1654, 279, 280, 281,
&end
#
# 85 LYS HA 88 ILE MD 5.60 (# 29377.1 Unique )
&rst
ixpk= 29377, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1386,1387,1388,
&end
#
# 85 LYS HA 0 AMB m:29380 6.00 (# 29380.1 Single Ambig [MD 34 MG1 87 MD1 90 MG2 34] )
&rst
ixpk= 29380, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2= 541, 542, 543,1363,1364,1365,1416,1417,1418, 534,
535, 536,
&end
#
# 85 LYS HA 85 LYS QB 4.10 (# 29386.1 Unique )
&rst
ixpk= 29386, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1317,1318,
&end
#
# 91 SER HA 0 AMB m:29389 6.00 (# 29389.1 Single Ambig [MD1 110 QG1 108] )
&rst
ixpk= 29389, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=1728,1729,1730,1691,1692,
&end
#
# 91 SER HA 0 AMB m:29393 6.00 (# 29393.1 Single Ambig [MG1 87 MB 95 MD1 90 MD 108] )
&rst
ixpk= 29393, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2=1363,1364,1365,1485,1486,1487,1416,1417,1418,1694,
1695,1696,
&end
#
# 91 SER QB 0 AMB m:29399 5.10 (# 29399.1 Single Ambig [MG1 87 MD 108 MB 95 MD2 112 MD1 90] )
&rst
ixpk= 29399, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.99, r4= 9.49,
igr1=1430,1431,
igr2=1363,1364,1365,1694,1695,1696,1485,1486,1487,1758,
1759,1760,1416,1417,1418,
&end
#
# 91 SER QB 0 AMB m:29410 6.00 (# 29410.1 Single Ambig [MG1 87 MD 108 MB 95 MD1 38] )
&rst
ixpk= 29410, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1430,1431,
igr2=1363,1364,1365,1694,1695,1696,1485,1486,1487, 601,
602, 603,
&end
#
# 29 ILE QG1 78 ILE MG2 6.00 (# 29420.1 Unique )
&rst
ixpk= 29420, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 466, 467,
igr2=1200,1201,1202,
&end
#
# 142 LEU MD1 139 LEU HN 6.00 (# 29423.1 Unique )
&rst
ixpk= 29423, nxpk= 0, iat= -1,2166, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2230,2231,2232,
&end
#
# 142 LEU MD1 142 LEU HA 4.70 (# 29426.1 Unique )
&rst
ixpk= 29426, nxpk= 0, iat= -1,2223, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=2230,2231,2232,
&end
#
# 124 LEU MD2 0 AMB m:29433 6.00 (# 29433.1 Single Ambig [HN 137 HN 136 HN 50 HN 120] )
&rst
ixpk= 29433, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1940,1941,1942,
igr2=2133,2116, 766,1867,
&end
#
# 65 GLU QG 24 LEU MD1 3.80 (# 29439.1 Unique )
&rst
ixpk= 29439, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1008,1009,
igr2= 394, 395, 396,
&end
#
# 65 GLU QG 0 AMB m:29442 6.00 (# 29442.1 Single Ambig [HG 24 QG1 68] )
&rst
ixpk= 29442, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1008,1009,
igr2= 392,1056,1057,
&end
#
# 59 LYS QB 127 LEU MD1 3.80 (# 29446.1 Unique )
&rst
ixpk= 29446, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 894, 895,
igr2=1983,1984,1985,
&end
#
# 59 LYS QB 0 AMB m:29449 3.70 (# 29449.1 Single Ambig [MD2 127 MD2 55] )
&rst
ixpk= 29449, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 894, 895,
igr2=1987,1988,1989, 851, 852, 853,
&end
#
# 74 MET ME 0 AMB m:29457 6.00 (# 29457.1 Single Ambig [QE2 76 QD2 27] )
&rst
ixpk= 29457, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1146,1147,1148,
igr2=1175,1176, 437, 438,
&end
#
# 87 VAL MG1 0 AMB m:29472 4.30 (# 29472.1 Single Ambig [HA 31 QB 91 HA 88] )
&rst
ixpk= 29472, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1363,1364,1365,
igr2= 484,1430,1431,1375,
&end
#
# 87 VAL MG1 0 AMB m:29477 5.20 (# 29477.1 Single Ambig [QA 111 HA 84] )
&rst
ixpk= 29477, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1=1363,1364,1365,
igr2=1740,1741,1305,
&end
#
# 35 LEU MD2 0 AMB m:29481 5.00 (# 29481.1 Single Ambig [HA 32 HA 124] )
&rst
ixpk= 29481, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 560, 561, 562,
igr2= 498,1929,
&end
#
# 142 LEU QB 142 LEU HA 3.60 (# 29485.1 Unique )
&rst
ixpk= 29485, nxpk= 0, iat= -1,2223, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2225,2226,
&end
#
# 142 LEU QB 139 LEU HA 5.20 (# 29488.1 Unique )
&rst
ixpk= 29488, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=2225,2226,
&end
#
# 142 LEU QB 142 LEU HA 3.40 (# 29491.1 Unique )
&rst
ixpk= 29491, nxpk= 0, iat= -1,2223, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=2225,2226,
&end
#
# 142 LEU QB 0 AMB m:29494 6.00 (# 29494.1 Single Ambig [HA 139 QA 143] )
&rst
ixpk= 29494, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2225,2226,
igr2=2168,2242,2243,
&end
#
# 55 LEU QB 55 LEU HA 5.00 (# 29498.1 Unique )
&rst
ixpk= 29498, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 842, 843,
&end
#
# 89 GLU HA 92 MET QB 5.80 (# 29504.1 Unique )
&rst
ixpk= 29504, nxpk= 0, iat=1394, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1441,1442,
&end
#
# 130 SER QB 133 LYS HN 5.60 (# 29510.1 Unique )
&rst
ixpk= 29510, nxpk= 0, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=2020,2021,
&end
#
# 130 SER QB 130 SER HA 3.90 (# 29513.1 Unique )
&rst
ixpk= 29513, nxpk= 0, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=2020,2021,
&end
#
# 130 SER QB 0 AMB m:29516 6.00 (# 29516.1 Single Ambig [QB 131 QB 133] )
&rst
ixpk= 29516, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2020,2021,
igr2=2031,2032,2064,2065,
&end
#
# 139 LEU MD1 0 AMB m:29520 6.00 (# 29520.1 Single Ambig [HN 140 HN 144 HN 145] )
&rst
ixpk= 29520, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2175,2176,2177,
igr2=2185,2247,2258,
&end
#
# 73 GLU QB 0 AMB m:29528 4.50 (# 29528.1 Single Ambig [HN 74 HN 27] )
&rst
ixpk= 29528, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1124,1125,
igr2=1135, 428,
&end
#
# 120 ALA MB 0 AMB m:29532 6.00 (# 29532.1 Single Ambig [HA 119 HA 64] )
&rst
ixpk= 29532, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1871,1872,1873,
igr2=1853, 987,
&end
#
# 14 LEU MD1 11 GLN QB 6.00 (# 29536.1 Unique )
&rst
ixpk= 29536, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 236, 237, 238,
igr2= 176, 177,
&end
#
# 16 LEU MD1 16 LEU HN 5.30 (# 29539.1 Unique )
&rst
ixpk= 29539, nxpk= 0, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 265, 266, 267,
&end
#
# 35 LEU MD2 0 AMB m:29542 6.00 (# 29542.1 Single Ambig [HN 64 HN 125 HN 112] )
&rst
ixpk= 29542, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 560, 561, 562,
igr2= 985,1946,1745,
&end
#
# 85 LYS QB 85 LYS QB 4.00 (# 29547.1 Unique )
#This appears to be self-referential: ignoring
#
# 106 GLU QG 107 HIS HN 4.50 (# 29553.1 Unique; orig = 3.40 )
&rst
ixpk= 29553, nxpk= 0, iat= -1,1664, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1656,1657,
&end
#
# 126 ASN HA 126 ASN HN 3.10 (# 29559.1 Unique )
&rst
ixpk= 29559, nxpk= 0, iat=1962,1960, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 64 VAL MG2 64 VAL HN 3.50 (# 29571.1 Unique; orig = 2.20 )
&rst
ixpk= 29571, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 995, 996, 997,
&end
#
# 87 VAL MG2 87 VAL HN 2.30 (# 29577.1 Unique )
&rst
ixpk= 29577, nxpk= 0, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1=1367,1368,1369,
&end
#
# 105 THR MG2 105 THR HN 2.20 (# 29595.1 Unique )
&rst
ixpk= 29595, nxpk= 0, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1=1641,1642,1643,
&end
#
# 139 LEU MD2 139 LEU HN 4.50 (# 29601.1 Unique; orig = 3.30 )
&rst
ixpk= 29601, nxpk= 0, iat= -1,2166, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2179,2180,2181,
&end
#
# 0 AMB m:29604a 0 AMB m:29604b 2.50 (# 29604.1 Double Ambig [MG2 129 MG1 64] [HN 129 HN 64] )
&rst
ixpk= 29604, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=2010,2011,2012, 991, 992, 993,
igr2=2000, 985,
&end
#
# 138 VAL MG2 137 GLN HN 4.30 (# 29608.1 Unique )
&rst
ixpk= 29608, nxpk= 0, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=2160,2161,2162,
&end
#
# 103 VAL MG2 103 VAL HN 2.90 (# 29624.1 Unique )
&rst
ixpk= 29624, nxpk= 0, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1622,1623,1624,
&end
#
# 77 THR MG2 78 ILE HN 4.50 (# 29627.1 Unique; orig = 3.10 )
&rst
ixpk= 29627, nxpk= 0, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1186,1187,1188,
&end
#
# 39 VAL MG2 39 VAL HN 2.20 (# 29633.1 Unique )
&rst
ixpk= 29633, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 621, 622, 623,
&end
#
# 87 VAL MG1 87 VAL HN 4.30 (# 29645.1 Unique )
&rst
ixpk= 29645, nxpk= 0, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1363,1364,1365,
&end
#
# 17 ALA MB 18 GLN HN 2.80 (# 29672.1 Unique )
&rst
ixpk= 29672, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 279, 280, 281,
&end
#
# 49 ALA MB 50 LEU HN 2.60 (# 29702.1 Unique )
&rst
ixpk= 29702, nxpk= 0, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 760, 761, 762,
&end
#
# 95 ALA MB 0 AMB m:29711 2.30 (# 29711.1 Single Ambig [HN 95 HN 96] )
&rst
ixpk= 29711, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr1=1485,1486,1487,
igr2=1481,1491,
&end
#
# 64 VAL HA 0 AMB m:29759 2.90 (# 29759.1 Single Ambig [HN 64 HN 65] )
&rst
ixpk= 29759, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 985,1001,
&end
#
# 64 VAL HB 0 AMB m:29790 2.30 (# 29790.1 Single Ambig [HN 65 HN 64] )
&rst
ixpk= 29790, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08,
igr2=1001, 985,
&end
#
# 65 GLU HA 65 GLU HN 2.90 (# 29808.1 Unique )
&rst
ixpk= 29808, nxpk= 0, iat=1003,1001, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 0 AMB m:29846a 0 AMB m:29846b 2.60 (# 29846.1 Double Ambig [QB 65 QB 63] [HN 66 HN 63] )
&rst
ixpk= 29846, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1=1005,1006, 974, 975,
igr2=1016, 970,
&end
#
# 59 LYS HA 0 AMB m:29880 2.90 (# 29880.1 Single Ambig [HN 59 HN 60] )
&rst
ixpk= 29880, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 890, 912,
&end
#
# 93 ASP HA 93 ASP HN 3.10 (# 29887.1 Unique )
&rst
ixpk= 29887, nxpk= 0, iat=1456,1454, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 76 GLN HA 77 THR HN 3.80 (# 29897.1 Unique )
&rst
ixpk= 29897, nxpk= 0, iat=1165,1180, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 55 LEU MD2 55 LEU HA 2.50 (# 29912.1 Unique )
&rst
ixpk= 29912, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 851, 852, 853,
&end
#
# 59 LYS QB 59 LYS HA 2.80 (# 29915.1 Unique )
&rst
ixpk= 29915, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 894, 895,
&end
#
# 38 LEU MD2 38 LEU HA 2.30 (# 29919.1 Unique )
&rst
ixpk= 29919, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1= 605, 606, 607,
&end
#
# 0 AMB m:29922 36 LEU HA 2.50 (# 29922.1 Single Ambig [MD1 36 MD2 36] )
&rst
ixpk= 29922, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 575, 576, 577, 579, 580, 581,
&end
#
# 131 LEU MD1 131 LEU HA 4.20 (# 29926.1 Unique )
&rst
ixpk= 29926, nxpk= 0, iat= -1,2029, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2036,2037,2038,
&end
#
# 53 LEU MD1 0 AMB m:29929 3.00 (# 29929.1 Single Ambig [HA 50 HA 49] )
&rst
ixpk= 29929, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 821, 822, 823,
igr2= 768, 758,
&end
#
# 0 AMB m:29933 13 VAL HA 3.40 (# 29933.1 Single Ambig [MD1 16 MD2 16] )
&rst
ixpk= 29933, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 265, 266, 267, 269, 270, 271,
&end
#
# 0 AMB m:29944 16 LEU QB 2.90 (# 29944.1 Single Ambig [MD2 16 MD1 16] )
&rst
ixpk= 29944, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 269, 270, 271, 265, 266, 267,
igr2= 260, 261,
&end
#
# 0 AMB m:29961a 0 AMB m:29961b 2.30 (# 29961.1 Double Ambig [HA 84 HA 10] [MB 84 MB 10] )
&rst
ixpk= 29961, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1305, 164,
igr2=1307,1308,1309, 166, 167, 168,
&end
#
# 48 LYS QB 48 LYS QB 2.80 (# 29965.1 Unique )
#This appears to be self-referential: ignoring
#
# 62 LYS QB 62 LYS QB 2.50 (# 29971.1 Unique )
#This appears to be self-referential: ignoring
#
# 0 AMB m:29977 36 LEU QB 2.80 (# 29977.1 Single Ambig [MD2 36 MD1 36] )
&rst
ixpk= 29977, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 579, 580, 581, 575, 576, 577,
igr2= 570, 571,
&end
#
# 131 LEU MD1 0 AMB m:29982 2.60 (# 29982.1 Single Ambig [HG 131 QB 131] )
&rst
ixpk= 29982, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=2036,2037,2038,
igr2=2034,2031,2032,
&end
#
# 0 AMB m:29993a 0 AMB m:29993b 2.30 (# 29993.1 Double Ambig [MD2 16 MD1 16] [HG 16 QB 41] )
&rst
ixpk= 29993, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 269, 270, 271, 265, 266, 267,
igr2= 263, 655, 656,
&end
#
# 67 LEU MD1 0 AMB m:29999 2.20 (# 29999.1 Single Ambig [HG 67 QB 67] )
&rst
ixpk= 29999, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1=1036,1037,1038,
igr2=1034,1031,1032,
&end
#
# 124 LEU MD1 124 LEU QB 2.30 (# 30026.1 Unique )
&rst
ixpk= 30026, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr1=1936,1937,1938,
igr2=1931,1932,
&end
#
# 90 LEU MD1 90 LEU QB 2.80 (# 30054.1 Unique )
&rst
ixpk= 30054, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1416,1417,1418,
igr2=1411,1412,
&end
#
# 55 LEU MD2 55 LEU HG 2.20 (# 30061.1 Unique )
&rst
ixpk= 30061, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 851, 852, 853,
&end
#
# 112 LEU MD2 0 AMB m:30077 2.70 (# 30077.1 Single Ambig [QB 112 MG2 87] )
&rst
ixpk= 30077, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1758,1759,1760,
igr2=1749,1750,1367,1368,1369,
&end
#
# 46 ALA HA 138 VAL MG1 3.50 (# 30092.1 Unique; orig = 2.70 )
&rst
ixpk= 30092, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2156,2157,2158,
&end
#
# 0 AMB m:30095a 0 AMB m:30095b 2.50 (# 30095.1 Double Ambig [HA 95 HA 21] [MB 95 MB 21] )
&rst
ixpk= 30095, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1483, 334,
igr2=1485,1486,1487, 336, 337, 338,
&end
#
# 13 VAL MG1 10 ALA HA 2.20 (# 30109.1 Unique )
&rst
ixpk= 30109, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 217, 218, 219,
&end
#
# 131 LEU MD2 131 LEU HA 3.50 (# 30112.1 Unique; orig = 3.00 )
&rst
ixpk= 30112, nxpk= 0, iat= -1,2029, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2040,2041,2042,
&end
#
# 0 AMB m:30115a 0 AMB m:30115b 2.30 (# 30115.1 Double Ambig [MG1 13 MG2 87] [HA 13 HA 87] )
&rst
ixpk= 30115, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 217, 218, 219,1367,1368,1369,
igr2= 213,1359,
&end
#
# 64 VAL MG2 64 VAL HA 2.30 (# 30119.1 Unique )
&rst
ixpk= 30119, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1= 995, 996, 997,
&end
#
# 123 VAL MG2 123 VAL HA 3.50 (# 30122.1 Unique; orig = 2.20 )
&rst
ixpk= 30122, nxpk= 0, iat= -1,1913, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1921,1922,1923,
&end
#
# 123 VAL MG2 64 VAL HA 3.50 (# 30125.1 Unique; orig = 2.30 )
&rst
ixpk= 30125, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1921,1922,1923,
&end
#
# 0 AMB m:30136a 0 AMB m:30136b 3.00 (# 30136.1 Double Ambig [MG2 87 MG1 13] [QG 115 QG 41] )
&rst
ixpk= 30136, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1367,1368,1369, 217, 218, 219,
igr2=1814,1815, 658, 659,
&end
#
# 123 VAL MG2 123 VAL HB 2.20 (# 30163.1 Unique )
&rst
ixpk= 30163, nxpk= 0, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1=1921,1922,1923,
&end
#
# 53 LEU HA 53 LEU QB 3.10 (# 30166.1 Unique )
&rst
ixpk= 30166, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 816, 817,
&end
#
# 87 VAL MG2 115 GLU QB 2.20 (# 30170.1 Unique )
&rst
ixpk= 30170, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1=1367,1368,1369,
igr2=1811,1812,
&end
#
# 119 VAL MG2 119 VAL HB 2.20 (# 30217.1 Unique )
&rst
ixpk= 30217, nxpk= 0, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1=1861,1862,1863,
&end
#
# 22 LEU MD2 22 LEU HG 2.30 (# 30220.1 Unique )
&rst
ixpk= 30220, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1= 355, 356, 357,
&end
#
# 55 LEU HA 0 AMB m:30223 2.70 (# 30223.1 Single Ambig [MD2 55 MD1 55] )
&rst
ixpk= 30223, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 851, 852, 853, 847, 848, 849,
&end
#
# 105 THR MG2 105 THR HB 2.30 (# 30235.1 Unique )
&rst
ixpk= 30235, nxpk= 0, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1=1641,1642,1643,
&end
#
# 0 AMB m:30241 141 LEU HA 2.50 (# 30241.1 Single Ambig [MD1 141 MD2 141] )
&rst
ixpk= 30241, nxpk= 0, iat= -1,2204, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2211,2212,2213,2215,2216,2217,
&end
#
# 103 VAL MG1 103 VAL HA 2.70 (# 30252.1 Unique )
&rst
ixpk= 30252, nxpk= 0, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1618,1619,1620,
&end
#
# 81 THR MG2 82 PRO QB 6.00 (# 30255.1 Unique; orig = 4.50 )
&rst
ixpk= 30255, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1257,1258,1259,
igr2=1272,1273,
&end
#
# 105 THR MG2 10 ALA HA 2.20 (# 30259.1 Unique )
&rst
ixpk= 30259, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1=1641,1642,1643,
&end
#
# 109 LEU MD1 109 LEU HA 2.20 (# 30271.1 Unique )
&rst
ixpk= 30271, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1=1709,1710,1711,
&end
#
# 31 THR MG2 31 THR HA 2.60 (# 30297.1 Unique )
&rst
ixpk= 30297, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 488, 489, 490,
&end
#
# 36 LEU MD1 61 GLN HA 2.30 (# 30303.1 Unique )
&rst
ixpk= 30303, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1= 575, 576, 577,
&end
#
# 142 LEU MD2 0 AMB m:30342 2.20 (# 30342.1 Single Ambig [HG 142 QB 142] )
&rst
ixpk= 30342, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1=2234,2235,2236,
igr2=2228,2225,2226,
&end
#
# 139 LEU MD2 0 AMB m:30355 2.30 (# 30355.1 Single Ambig [HG 139 QB 139] )
&rst
ixpk= 30355, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1=2179,2180,2181,
igr2=2173,2170,2171,
&end
#
# 0 AMB m:30360 24 LEU QB 2.30 (# 30360.1 Single Ambig [MD2 24 MD1 24] )
&rst
ixpk= 30360, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 398, 399, 400, 394, 395, 396,
igr2= 389, 390,
&end
#
# 124 LEU MD2 124 LEU QB 2.80 (# 30373.1 Unique )
&rst
ixpk= 30373, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1940,1941,1942,
igr2=1931,1932,
&end
#
# 109 LEU MD1 0 AMB m:30387 2.30 (# 30387.1 Single Ambig [HG 109 QB 109] )
&rst
ixpk= 30387, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1=1709,1710,1711,
igr2=1707,1704,1705,
&end
#
# 119 VAL MG1 119 VAL HA 3.50 (# 30428.1 Unique; orig = 2.20 )
&rst
ixpk= 30428, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1857,1858,1859,
&end
#
# 138 VAL MG1 138 VAL HA 2.60 (# 30431.1 Unique )
&rst
ixpk= 30431, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1=2156,2157,2158,
&end
#
# 123 VAL MG1 0 AMB m:30454 2.20 (# 30454.1 Single Ambig [QB 63 HB 123] )
&rst
ixpk= 30454, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1=1917,1918,1919,
igr2= 974, 975,1915,
&end
#
# 119 VAL MG1 119 VAL HB 2.20 (# 30459.1 Unique )
&rst
ixpk= 30459, nxpk= 0, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1=1857,1858,1859,
&end
#
# 39 VAL MG1 50 LEU MD1 2.80 (# 30477.1 Unique )
&rst
ixpk= 30477, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 617, 618, 619,
igr2= 775, 776, 777,
&end
#
# 39 VAL MG2 0 AMB m:30480 2.30 (# 30480.1 Single Ambig [MG2 60 MD 60] )
&rst
ixpk= 30480, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 621, 622, 623,
igr2= 918, 919, 920, 925, 926, 927,
&end
#
# 14 LEU MD2 88 ILE MD 2.90 (# 30484.1 Unique )
&rst
ixpk= 30484, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 240, 241, 242,
igr2=1386,1387,1388,
&end
#
# 87 VAL MG1 87 VAL HA 2.60 (# 30503.1 Unique )
&rst
ixpk= 30503, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1=1363,1364,1365,
&end
#
# 87 VAL MG1 0 AMB m:30512 3.40 (# 30512.1 Single Ambig [HG 112 QB 115] )
&rst
ixpk= 30512, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1363,1364,1365,
igr2=1752,1811,1812,
&end
#
# 46 ALA MB 0 AMB m:30523 2.20 (# 30523.1 Single Ambig [MD2 109 MD2 38] )
&rst
ixpk= 30523, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1= 718, 719, 720,
igr2=1713,1714,1715, 605, 606, 607,
&end
#
# 10 ALA MB 10 ALA HA 2.20 (# 30541.1 Unique )
&rst
ixpk= 30541, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 166, 167, 168,
&end
#
# 17 ALA MB 0 AMB m:30547 2.50 (# 30547.1 Single Ambig [HA 34 QA 37] )
&rst
ixpk= 30547, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1= 279, 280, 281,
igr2= 530, 587, 588,
&end
#
# 45 ILE MG2 142 LEU QB 3.10 (# 30555.1 Unique )
&rst
ixpk= 30555, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 701, 702, 703,
igr2=2225,2226,
&end
#
# 10 ALA MB 105 THR MG2 3.50 (# 30559.1 Unique; orig = 2.50 )
&rst
ixpk= 30559, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 166, 167, 168,
igr2=1641,1642,1643,
&end
#
# 68 ILE MG2 68 ILE HA 2.60 (# 30576.1 Unique )
&rst
ixpk= 30576, nxpk= 0, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1=1052,1053,1054,
&end
#
# 113 ILE MG2 131 LEU HA 2.20 (# 30595.1 Unique )
&rst
ixpk= 30595, nxpk= 0, iat= -1,2029, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1=1770,1771,1772,
&end
#
# 34 ILE MG2 34 ILE HA 2.60 (# 30606.1 Unique )
&rst
ixpk= 30606, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 534, 535, 536,
&end
#
# 92 MET ME 92 MET QB 3.10 (# 30615.1 Unique )
&rst
ixpk= 30615, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1448,1449,1450,
igr2=1441,1442,
&end
#
# 49 ALA MB 137 GLN QB 2.60 (# 30619.1 Unique )
&rst
ixpk= 30619, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 760, 761, 762,
igr2=2137,2138,
&end
#
# 68 ILE MG2 68 ILE HB 2.20 (# 30624.1 Unique )
&rst
ixpk= 30624, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1=1052,1053,1054,
&end
#
# 68 ILE MG2 32 GLU QB 4.50 (# 30633.1 Unique; orig = 3.40 )
&rst
ixpk= 30633, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1052,1053,1054,
igr2= 500, 501,
&end
#
# 34 ILE MG2 34 ILE QG1 3.10 (# 30637.1 Unique )
&rst
ixpk= 30637, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 534, 535, 536,
igr2= 538, 539,
&end
#
# 113 ILE MG2 0 AMB m:30641 2.50 (# 30641.1 Single Ambig [HB 113 QG1 113] )
&rst
ixpk= 30641, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=1770,1771,1772,
igr2=1768,1774,1775,
&end
#
# 60 ILE MG2 60 ILE HB 2.20 (# 30649.1 Unique )
&rst
ixpk= 30649, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 918, 919, 920,
&end
#
# 60 ILE MG2 60 ILE QG1 2.80 (# 30652.1 Unique )
&rst
ixpk= 30652, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 918, 919, 920,
igr2= 922, 923,
&end
#
# 60 ILE MG2 0 AMB m:30664 2.90 (# 30664.1 Single Ambig [HG 35 QB 35] )
&rst
ixpk= 30664, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 918, 919, 920,
igr2= 554, 551, 552,
&end
#
# 134 ALA MB 113 ILE MG2 3.00 (# 30671.1 Unique )
&rst
ixpk= 30671, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=2086,2087,2088,
igr2=1770,1771,1772,
&end
#
# 134 ALA MB 113 ILE MD 2.30 (# 30677.1 Unique )
&rst
ixpk= 30677, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1=2086,2087,2088,
igr2=1777,1778,1779,
&end
#
# 113 ILE MG2 0 AMB m:30683 2.20 (# 30683.1 Single Ambig [MD 113 MD1 124] )
&rst
ixpk= 30683, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1=1770,1771,1772,
igr2=1777,1778,1779,1936,1937,1938,
&end
#
# 21 ALA MB 18 GLN HA 2.80 (# 30693.1 Unique )
&rst
ixpk= 30693, nxpk= 0, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 336, 337, 338,
&end
#
# 113 ILE MD 113 ILE MG2 2.30 (# 30709.1 Unique )
&rst
ixpk= 30709, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1=1777,1778,1779,
igr2=1770,1771,1772,
&end
#
# 68 ILE MD 68 ILE HB 3.10 (# 30715.1 Unique )
&rst
ixpk= 30715, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1=1059,1060,1061,
&end
#
# 29 ILE MD 18 GLN QB 4.10 (# 30718.1 Unique )
&rst
ixpk= 30718, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 469, 470, 471,
igr2= 289, 290,
&end
#
# 68 ILE MD 68 ILE QG1 2.20 (# 30722.1 Unique )
&rst
ixpk= 30722, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1=1059,1060,1061,
igr2=1056,1057,
&end
#
# 67 LEU QB 0 AMB m:30726 2.80 (# 30726.1 Single Ambig [MD2 67 MD1 67] )
&rst
ixpk= 30726, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1031,1032,
igr2=1040,1041,1042,1036,1037,1038,
&end
#
# 29 ILE MD 34 ILE QG1 4.50 (# 30732.1 Unique; orig = 3.30 )
&rst
ixpk= 30732, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 469, 470, 471,
igr2= 538, 539,
&end
#
# 29 ILE MD 29 ILE QG1 2.20 (# 30736.1 Unique )
&rst
ixpk= 30736, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr1= 469, 470, 471,
igr2= 466, 467,
&end
#
# 122 ARG QB 122 ARG QB 2.80 (# 30761.1 Unique )
#This appears to be self-referential: ignoring
#
# 122 ARG QB 122 ARG QB 2.50 (# 30767.1 Unique )
#This appears to be self-referential: ignoring
#
# 34 ILE MD 34 ILE QG1 2.30 (# 30773.1 Unique )
&rst
ixpk= 30773, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr1= 541, 542, 543,
igr2= 538, 539,
&end
#
# 108 ILE MD 10 ALA MB 2.30 (# 30777.1 Unique )
&rst
ixpk= 30777, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1=1694,1695,1696,
igr2= 166, 167, 168,
&end
#
# 78 ILE MD 78 ILE HB 3.50 (# 30783.1 Unique; orig = 2.20 )
&rst
ixpk= 30783, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1207,1208,1209,
&end
#
# 86 LYS QB 86 LYS QB 2.70 (# 30797.1 Unique )
#This appears to be self-referential: ignoring
#
# 141 LEU QB 0 AMB m:30803 3.30 (# 30803.1 Single Ambig [MD2 141 MD1 141] )
&rst
ixpk= 30803, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=2206,2207,
igr2=2215,2216,2217,2211,2212,2213,
&end
#
# 16 LEU QB 0 AMB m:30812 3.00 (# 30812.1 Single Ambig [MD2 16 MD1 16] )
&rst
ixpk= 30812, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 260, 261,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 97 LYS QB 97 LYS QB 2.60 (# 30821.1 Unique )
#This appears to be self-referential: ignoring
#
# 88 ILE MD 88 ILE QG1 2.50 (# 30833.1 Unique )
&rst
ixpk= 30833, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1386,1387,1388,
igr2=1383,1384,
&end
#
# 22 LEU QB 0 AMB m:30837 2.90 (# 30837.1 Single Ambig [MD1 22 MD2 22] )
&rst
ixpk= 30837, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 346, 347,
igr2= 351, 352, 353, 355, 356, 357,
&end
#
# 45 ILE MD 45 ILE QG1 2.30 (# 30848.1 Unique )
&rst
ixpk= 30848, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr1= 708, 709, 710,
igr2= 705, 706,
&end
#
# 78 ILE HB 0 AMB m:30852 2.20 (# 30852.1 Single Ambig [MG2 78 MD 78] )
&rst
ixpk= 30852, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2=1200,1201,1202,1207,1208,1209,
&end
#
# 105 THR HA 105 THR HB 2.60 (# 30870.1 Unique )
&rst
ixpk= 30870, nxpk= 0, iat=1637,1639, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 0 AMB m:30876a 0 AMB m:30876b 3.40 (# 30876.1 Double Ambig [QG 8 QG 58] [HA 8 HA 58] )
&rst
ixpk= 30876, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 130, 131, 882, 883,
igr2= 125, 877,
&end
#
# 58 GLU QG 0 AMB m:30881 3.60 (# 30881.1 Single Ambig [HA 58 HA 59] )
&rst
ixpk= 30881, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 882, 883,
igr2= 877, 892,
&end
#
# 0 AMB m:30896a 0 AMB m:30896b 2.80 (# 30896.1 Double Ambig [QG 117 QG 43] [QB 117 QB 43] )
&rst
ixpk= 30896, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1836,1837, 680, 681,
igr2=1833,1834, 677, 678,
&end
#
# 64 VAL HA 0 AMB m:30918 2.20 (# 30918.1 Single Ambig [MG2 64 MG2 123] )
&rst
ixpk= 30918, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 995, 996, 997,1921,1922,1923,
&end
#
# 105 THR HA 108 ILE MD 2.50 (# 30922.1 Unique )
&rst
ixpk= 30922, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1694,1695,1696,
&end
#
# 89 GLU QG 89 GLU QB 2.20 (# 30932.1 Unique )
&rst
ixpk= 30932, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1=1399,1400,
igr2=1396,1397,
&end
#
# 11 GLN QB 11 GLN QB 2.90 (# 30958.1 Unique )
#This appears to be self-referential: ignoring
#
# 137 GLN QB 137 GLN QB 2.60 (# 30964.1 Unique )
#This appears to be self-referential: ignoring
#
# 76 GLN QB 76 GLN HA 4.30 (# 30974.1 Unique )
&rst
ixpk= 30974, nxpk= 0, iat= -1,1165, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1167,1168,
&end
#
# 0 AMB m:30978a 0 AMB m:30978b 3.30 (# 30978.1 Double Ambig [QB 136 QB 51] [HA 136 HA 51] )
&rst
ixpk= 30978, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=2120,2121, 789, 790,
igr2=2118, 787,
&end
#
# 136 GLN QB 136 GLN HA 3.10 (# 30983.1 Unique )
&rst
ixpk= 30983, nxpk= 0, iat= -1,2118, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=2120,2121,
&end
#
# 61 GLN QB 61 GLN QB 2.80 (# 30996.1 Unique )
#This appears to be self-referential: ignoring
#
# 97 LYS QB 97 LYS QB 3.00 (# 31011.1 Unique )
#This appears to be self-referential: ignoring
#
# 59 LYS QB 59 LYS QB 2.60 (# 31023.1 Unique )
#This appears to be self-referential: ignoring
#
# 129 VAL HA 0 AMB m:31043 2.50 (# 31043.1 Single Ambig [MG1 129 MG2 129] )
&rst
ixpk= 31043, nxpk= 0, iat=2002, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2006,2007,2008,2010,2011,2012,
&end
#
# 0 AMB m:31061a 0 AMB m:31061b 2.30 (# 31061.1 Double Ambig [HB 87 HB 13] [MG2 87 MG1 13] )
&rst
ixpk= 31061, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1361, 215,
igr2=1367,1368,1369, 217, 218, 219,
&end
#
# 129 VAL HB 0 AMB m:31068 2.30 (# 31068.1 Single Ambig [MG2 129 MG1 129] )
&rst
ixpk= 31068, nxpk= 0, iat=2004, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr2=2010,2011,2012,2006,2007,2008,
&end
#
# 76 GLN QB 76 GLN QB 2.20 (# 31078.1 Unique )
#This appears to be self-referential: ignoring
#
# 8 GLU HA 11 GLN QB 2.70 (# 31090.1 Unique )
&rst
ixpk= 31090, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 176, 177,
&end
#
# 61 GLN HA 61 GLN QB 2.80 (# 31116.1 Unique )
&rst
ixpk= 31116, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 935, 936,
&end
#
# 78 ILE HA 0 AMB m:31124 2.60 (# 31124.1 Single Ambig [MD 78 MG2 78] )
&rst
ixpk= 31124, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2=1207,1208,1209,1200,1201,1202,
&end
#
# 65 GLU HA 68 ILE MD 4.50 (# 31128.1 Unique; orig = 2.70 )
&rst
ixpk= 31128, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1059,1060,1061,
&end
#
# 0 AMB m:31179a 0 AMB m:31179b 2.80 (# 31179.1 Double Ambig [QB 8 QB 63] [QG 8 QG 63] )
&rst
ixpk= 31179, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 127, 128, 974, 975,
igr2= 130, 131, 977, 978,
&end
#
# 9 ARG HA 9 ARG QB 2.90 (# 31187.1 Unique )
&rst
ixpk= 31187, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 142, 143,
&end
#
# 58 GLU HA 58 GLU QB 2.50 (# 31191.1 Unique )
&rst
ixpk= 31191, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 879, 880,
&end
#
# 0 AMB m:31229a 0 AMB m:31229b 3.30 (# 31229.1 Double Ambig [HA 122 HA 23] [QB 122 QB 23] )
&rst
ixpk= 31229, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1889, 363,
igr2=1891,1892, 365, 366,
&end
#
# 23 ARG HA 23 ARG QB 2.60 (# 31235.1 Unique )
&rst
ixpk= 31235, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 365, 366,
&end
#
# 97 LYS HA 97 LYS QB 3.10 (# 31243.1 Unique )
&rst
ixpk= 31243, nxpk= 0, iat=1517, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1519,1520,
&end
#
# 85 LYS QB 85 LYS QB 2.80 (# 31248.1 Unique )
#This appears to be self-referential: ignoring
#
# 97 LYS QB 97 LYS QB 3.50 (# 31254.1 Unique )
#This appears to be self-referential: ignoring
#
# 23 ARG HA 23 ARG QB 3.30 (# 31260.1 Unique )
&rst
ixpk= 31260, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 365, 366,
&end
#
# 60 ILE QG1 50 LEU MD1 4.30 (# 31279.1 Unique )
&rst
ixpk= 31279, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 922, 923,
igr2= 775, 776, 777,
&end
#
# 136 GLN QB 133 LYS HA 4.50 (# 31288.1 Unique; orig = 2.80 )
&rst
ixpk= 31288, nxpk= 0, iat= -1,2062, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2120,2121,
&end
#
# 140 GLN QB 140 GLN QB 2.60 (# 31314.1 Unique )
#This appears to be self-referential: ignoring
#
# 83 ARG HA 83 ARG QB 2.80 (# 31320.1 Unique )
&rst
ixpk= 31320, nxpk= 0, iat=1281, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1283,1284,
&end
#
# 136 GLN HA 136 GLN QB 2.70 (# 31328.1 Unique )
&rst
ixpk= 31328, nxpk= 0, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2=2120,2121,
&end
#
# 106 GLU HA 0 AMB m:31334 2.70 (# 31334.1 Single Ambig [QB 106 QG 106] )
&rst
ixpk= 31334, nxpk= 0, iat=1651, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2=1653,1654,1656,1657,
&end
#
# 32 GLU HA 32 GLU QB 2.20 (# 31339.1 Unique )
&rst
ixpk= 31339, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr2= 500, 501,
&end
#
# 59 LYS HA 0 AMB m:31353 3.00 (# 31353.1 Single Ambig [QB 59 QB 62] )
&rst
ixpk= 31353, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 894, 895, 952, 953,
&end
#
# 109 LEU HA 0 AMB m:31359 2.50 (# 31359.1 Single Ambig [QB 109 HG 109] )
&rst
ixpk= 31359, nxpk= 0, iat=1702, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1704,1705,1707,
&end
#
# 106 GLU HA 109 LEU QB 3.50 (# 31368.1 Unique; orig = 2.90 )
&rst
ixpk= 31368, nxpk= 0, iat=1651, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1704,1705,
&end
#
# 124 LEU HA 0 AMB m:31379 2.80 (# 31379.1 Single Ambig [MD2 124 MD1 124] )
&rst
ixpk= 31379, nxpk= 0, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1940,1941,1942,1936,1937,1938,
&end
#
# 0 AMB m:31387a 0 AMB m:31387b 3.40 (# 31387.1 Double Ambig [QB 122 QB 96] [HA 122 HA 96] )
&rst
ixpk= 31387, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=1891,1892,1495,1496,
igr2=1889,1493,
&end
#
# 112 LEU MD1 0 AMB m:31393 2.80 (# 31393.1 Single Ambig [HA 35 HA 112] )
&rst
ixpk= 31393, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1754,1755,1756,
igr2= 549,1747,
&end
#
# 112 LEU MD1 109 LEU HA 2.20 (# 31397.1 Unique )
&rst
ixpk= 31397, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1=1754,1755,1756,
&end
#
# 137 GLN HA 0 AMB m:31416 2.40 (# 31416.1 Single Ambig [QB 137 QB 140] )
&rst
ixpk= 31416, nxpk= 0, iat=2135, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr2=2137,2138,2189,2190,
&end
#
# 137 GLN HA 137 GLN QB 3.50 (# 31421.1 Unique; orig = 2.30 )
&rst
ixpk= 31421, nxpk= 0, iat=2135, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2137,2138,
&end
#
# 5 ARG QB 5 ARG QB 2.20 (# 31435.1 Unique )
#This appears to be self-referential: ignoring
#
# 32 GLU QB 32 GLU QG 2.30 (# 31441.1 Unique )
&rst
ixpk= 31441, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr1= 500, 501,
igr2= 503, 504,
&end
#
# 112 LEU MD1 112 LEU HG 2.30 (# 31447.1 Unique )
&rst
ixpk= 31447, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1=1754,1755,1756,
&end
#
# 112 LEU HA 0 AMB m:31454 2.60 (# 31454.1 Single Ambig [QB 112 MG2 87] )
&rst
ixpk= 31454, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2=1749,1750,1367,1368,1369,
&end
#
# 112 LEU MD1 112 LEU QB 2.50 (# 31469.1 Unique )
&rst
ixpk= 31469, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1754,1755,1756,
igr2=1749,1750,
&end
#
# 22 LEU HG 0 AMB m:31477 2.30 (# 31477.1 Single Ambig [MD1 22 MD2 22] )
&rst
ixpk= 31477, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr2= 351, 352, 353, 355, 356, 357,
&end
#
# 78 ILE QG1 0 AMB m:31485 2.50 (# 31485.1 Single Ambig [MD 78 MG2 78] )
&rst
ixpk= 31485, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1204,1205,
igr2=1207,1208,1209,1200,1201,1202,
&end
#
# 76 GLN HA 76 GLN QB 3.00 (# 31509.1 Unique )
&rst
ixpk= 31509, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1167,1168,
&end
#
# 132 ASN HA 135 ARG QB 2.80 (# 31513.1 Unique )
&rst
ixpk= 31513, nxpk= 0, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2096,2097,
&end
#
# 142 LEU MD1 0 AMB m:31521 2.40 (# 31521.1 Single Ambig [HG 142 QB 142] )
&rst
ixpk= 31521, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1=2230,2231,2232,
igr2=2228,2225,2226,
&end
#
# 55 LEU MD1 55 LEU QB 2.60 (# 31532.1 Unique )
&rst
ixpk= 31532, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 847, 848, 849,
igr2= 842, 843,
&end
#
# 127 LEU MD1 127 LEU QB 2.60 (# 31539.1 Unique )
&rst
ixpk= 31539, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1=1983,1984,1985,
igr2=1978,1979,
&end
#
# 55 LEU MD1 55 LEU HG 2.50 (# 31552.1 Unique )
&rst
ixpk= 31552, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1= 847, 848, 849,
&end
#
# 0 AMB m:31555 141 LEU QB 2.80 (# 31555.1 Single Ambig [MD2 141 MD1 141] )
&rst
ixpk= 31555, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2215,2216,2217,2211,2212,2213,
igr2=2206,2207,
&end
#
# 14 LEU HG 14 LEU MD2 2.50 (# 31564.1 Unique )
&rst
ixpk= 31564, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 240, 241, 242,
&end
#
# 6 PHE HA 5 ARG QB 6.00 (# 31586.1 Unique )
&rst
ixpk= 31586, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 69, 70,
&end
#
# 6 PHE HA 6 PHE HE 6.00 (# 31612.1 Unique )
&rst
ixpk= 31612, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 99, 103,
&end
#
# 7 THR HA 7 THR HN 3.40 (# 31624.1 Unique )
&rst
ixpk= 31624, nxpk= 0, iat= 111, 109, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 7 THR HB 9 ARG QB 4.50 (# 31627.1 Unique; orig = 3.40 )
&rst
ixpk= 31627, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 142, 143,
&end
#
# 7 THR HB 8 GLU QB 6.00 (# 31631.1 Unique )
&rst
ixpk= 31631, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 127, 128,
&end
#
# 7 THR HB 0 AMB m:31635 6.00 (# 31635.1 Single Ambig [QA 104 HA 8] )
&rst
ixpk= 31635, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1630,1631, 125,
&end
#
# 7 THR HA 0 AMB m:31652 4.70 (# 31652.1 Single Ambig [MB 10 QB 5] )
&rst
ixpk= 31652, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 166, 167, 168, 69, 70,
&end
#
# 7 THR MG2 100 HIS HE1 6.00 (# 31681.1 Unique )
&rst
ixpk= 31681, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 115, 116, 117,
&end
#
# 7 THR MG2 102 TYR HE 4.10 (# 31687.1 Unique )
&rst
ixpk= 31687, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 115, 116, 117,
igr2=1601,1606,
&end
#
# 6 PHE QB 6 PHE HD 3.90 (# 31690.1 Unique )
&rst
ixpk= 31690, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 93, 94,
igr2= 97, 105,
&end
#
# 6 PHE QB 0 AMB m:31694 4.80 (# 31694.1 Single Ambig [QE2 11 HE 6] )
&rst
ixpk= 31694, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 93, 94,
igr2= 184, 185, 99, 103,
&end
#
# 6 PHE QB 0 AMB m:31719 6.00 (# 31719.1 Single Ambig [HA 5 HA 7] )
&rst
ixpk= 31719, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 93, 94,
igr2= 67, 111,
&end
#
# 6 PHE QB 0 AMB m:31724 5.80 (# 31724.1 Single Ambig [HA 11 HA 10] )
&rst
ixpk= 31724, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 93, 94,
igr2= 174, 164,
&end
#
# 6 PHE QB 103 VAL MG2 6.00 (# 31729.1 Unique )
&rst
ixpk= 31729, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 93, 94,
igr2=1622,1623,1624,
&end
#
# 6 PHE QB 103 VAL HB 6.00 (# 31733.1 Unique )
&rst
ixpk= 31733, nxpk= 0, iat= -1,1616, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 93, 94,
&end
#
# 4 GLY QA 6 PHE HN 6.00 (# 31743.1 Unique; orig = 5.40 )
&rst
ixpk= 31743, nxpk= 0, iat= -1, 89, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 60, 61,
&end
#
# 4 GLY QA 3 PHE HD 6.00 (# 31747.1 Unique )
&rst
ixpk= 31747, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 60, 61,
igr2= 46, 54,
&end
#
# 4 GLY QA 5 ARG HA 5.10 (# 31751.1 Unique )
&rst
ixpk= 31751, nxpk= 0, iat= -1, 67, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 60, 61,
&end
#
# 4 GLY QA 3 PHE HA 6.00 (# 31755.1 Unique )
&rst
ixpk= 31755, nxpk= 0, iat= -1, 40, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 60, 61,
&end
#
# 4 GLY QA 5 ARG QB 6.00 (# 31763.1 Unique )
&rst
ixpk= 31763, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 60, 61,
igr2= 69, 70,
&end
#
# 4 GLY QA 5 ARG QB 6.00 (# 31769.1 Unique )
&rst
ixpk= 31769, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 60, 61,
igr2= 69, 70,
&end
#
# 15 ALA MB 12 LYS QB 4.80 (# 31799.1 Unique )
&rst
ixpk= 31799, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 250, 251, 252,
igr2= 193, 194,
&end
#
# 15 ALA MB 0 AMB m:31803 5.80 (# 31803.1 Single Ambig [QB 16 QB 18] )
&rst
ixpk= 31803, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr1= 250, 251, 252,
igr2= 260, 261, 289, 290,
&end
#
# 15 ALA MB 13 VAL HA 6.00 (# 31815.1 Unique )
&rst
ixpk= 31815, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 250, 251, 252,
&end
#
# 15 ALA MB 13 VAL HN 6.00 (# 31830.1 Unique )
&rst
ixpk= 31830, nxpk= 0, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 250, 251, 252,
&end
#
# 17 ALA HA 37 GLY HN 4.10 (# 31839.1 Unique )
&rst
ixpk= 31839, nxpk= 0, iat= 277, 585, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 17 ALA HA 34 ILE HN 6.00 (# 31848.1 Unique )
&rst
ixpk= 31848, nxpk= 0, iat= 277, 528, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 ALA HA 19 GLU HN 5.80 (# 31851.1 Unique )
&rst
ixpk= 31851, nxpk= 0, iat= 277, 302, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 17 ALA HA 33 HIS QB 3.80 (# 31867.1 Unique )
&rst
ixpk= 31867, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 515, 516,
&end
#
# 17 ALA MB 29 ILE MD 3.60 (# 31871.1 Unique )
&rst
ixpk= 31871, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 279, 280, 281,
igr2= 469, 470, 471,
&end
#
# 17 ALA MB 14 LEU MD1 6.00 (# 31874.1 Unique )
&rst
ixpk= 31874, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 279, 280, 281,
igr2= 236, 237, 238,
&end
#
# 17 ALA MB 33 HIS QB 3.40 (# 31877.1 Unique )
&rst
ixpk= 31877, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 279, 280, 281,
igr2= 515, 516,
&end
#
# 17 ALA MB 88 ILE MD 6.00 (# 31881.1 Unique )
&rst
ixpk= 31881, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 279, 280, 281,
igr2=1386,1387,1388,
&end
#
# 17 ALA MB 37 GLY HN 3.90 (# 31884.1 Unique )
&rst
ixpk= 31884, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 279, 280, 281,
&end
#
# 120 ALA MB 31 THR HN 6.00 (# 31915.1 Unique; orig = 4.00 )
&rst
ixpk= 31915, nxpk= 0, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1871,1872,1873,
&end
#
# 81 THR HB 82 PRO QB 4.50 (# 31930.1 Unique; orig = 3.30 )
&rst
ixpk= 31930, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1272,1273,
&end
#
# 81 THR HB 82 PRO QB 6.00 (# 31939.1 Unique )
&rst
ixpk= 31939, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1272,1273,
&end
#
# 81 THR MG2 84 ALA HN 5.60 (# 31968.1 Unique )
&rst
ixpk= 31968, nxpk= 0, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1257,1258,1259,
&end
#
# 105 THR MG2 44 GLY HN 4.90 (# 31974.1 Unique )
&rst
ixpk= 31974, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1641,1642,1643,
&end
#
# 80 TYR HA 0 AMB m:31977 3.10 (# 31977.1 Single Ambig [HB 29 MG2 81] )
&rst
ixpk= 31977, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 460,1257,1258,1259,
&end
#
# 80 TYR HA 29 ILE MG2 4.60 (# 31984.1 Unique )
&rst
ixpk= 31984, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 462, 463, 464,
&end
#
# 80 TYR HA 29 ILE QG1 5.60 (# 31987.1 Unique )
&rst
ixpk= 31987, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 466, 467,
&end
#
# 80 TYR HA 0 AMB m:31997 6.00 (# 31997.1 Single Ambig [HA 28 HB 81] )
&rst
ixpk= 31997, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 444,1255,
&end
#
# 80 TYR HA 29 ILE HN 3.40 (# 32004.1 Unique )
&rst
ixpk= 32004, nxpk= 0, iat=1232, 456, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 80 TYR QB 84 ALA MB 3.60 (# 32011.1 Unique )
&rst
ixpk= 32011, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1234,1235,
igr2=1307,1308,1309,
&end
#
# 80 TYR QB 29 ILE MG2 6.00 (# 32015.1 Unique )
&rst
ixpk= 32015, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1234,1235,
igr2= 462, 463, 464,
&end
#
# 80 TYR QB 80 TYR HE 6.00 (# 32019.1 Unique )
&rst
ixpk= 32019, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1234,1235,
igr2=1240,1245,
&end
#
# 80 TYR QB 80 TYR HD 3.90 (# 32023.1 Unique )
&rst
ixpk= 32023, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1234,1235,
igr2=1238,1247,
&end
#
# 103 VAL HB 10 ALA MB 6.00 (# 32039.1 Unique )
&rst
ixpk= 32039, nxpk= 0, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
&end
#
# 103 VAL HB 102 TYR QB 6.00 (# 32046.1 Unique )
&rst
ixpk= 32046, nxpk= 0, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1595,1596,
&end
#
# 103 VAL HB 92 MET HA 6.00 (# 32054.1 Unique )
&rst
ixpk= 32054, nxpk= 0, iat=1616,1439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 103 VAL HA 104 GLY QA 6.00 (# 32075.1 Unique )
&rst
ixpk= 32075, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1630,1631,
&end
#
# 103 VAL HA 0 AMB m:32079 5.60 (# 32079.1 Single Ambig [HN 107 HD 102] )
&rst
ixpk= 32079, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1664,1599,1608,
&end
#
# 103 VAL HA 6 PHE HD 6.00 (# 32083.1 Unique )
&rst
ixpk= 32083, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 97, 105,
&end
#
# 103 VAL MG2 6 PHE HE 5.20 (# 32092.1 Unique )
&rst
ixpk= 32092, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1622,1623,1624,
igr2= 99, 103,
&end
#
# 103 VAL MG2 102 TYR HA 4.70 (# 32101.1 Unique )
&rst
ixpk= 32101, nxpk= 0, iat= -1,1593, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1622,1623,1624,
&end
#
# 103 VAL MG2 2 MET ME 6.00 (# 32113.1 Unique; orig = 2.80 )
&rst
ixpk= 32113, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1622,1623,1624,
igr2= 32, 33, 34,
&end
#
# 103 VAL MG2 91 SER QB 5.80 (# 32116.1 Unique )
&rst
ixpk= 32116, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1622,1623,1624,
igr2=1430,1431,
&end
#
# 103 VAL MG1 92 MET HN 4.20 (# 32126.1 Unique )
&rst
ixpk= 32126, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1618,1619,1620,
&end
#
# 103 VAL MG1 108 ILE HA 5.60 (# 32138.1 Unique )
&rst
ixpk= 32138, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1618,1619,1620,
&end
#
# 103 VAL MG1 108 ILE QG1 3.10 (# 32156.1 Unique )
&rst
ixpk= 32156, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1618,1619,1620,
igr2=1691,1692,
&end
#
# 102 TYR QB 103 VAL HN 3.80 (# 32172.1 Unique )
&rst
ixpk= 32172, nxpk= 0, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1595,1596,
&end
#
# 102 TYR QB 102 TYR HD 3.30 (# 32180.1 Unique )
&rst
ixpk= 32180, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1595,1596,
igr2=1599,1608,
&end
#
# 102 TYR QB 102 TYR HE 6.00 (# 32184.1 Unique )
&rst
ixpk= 32184, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1595,1596,
igr2=1601,1606,
&end
#
# 102 TYR QB 6 PHE HA 6.00 (# 32188.1 Unique )
&rst
ixpk= 32188, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1595,1596,
&end
#
# 102 TYR QB 7 THR HA 6.00 (# 32194.1 Unique )
&rst
ixpk= 32194, nxpk= 0, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1595,1596,
&end
#
# 119 VAL HA 123 VAL MG2 3.90 (# 32198.1 Unique )
&rst
ixpk= 32198, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1921,1922,1923,
&end
#
# 119 VAL HA 122 ARG QB 3.10 (# 32201.1 Unique )
&rst
ixpk= 32201, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1891,1892,
&end
#
# 119 VAL HA 119 VAL HN 3.40 (# 32214.1 Unique )
&rst
ixpk= 32214, nxpk= 0, iat=1853,1851, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 119 VAL HA 121 ALA HN 5.60 (# 32223.1 Unique )
&rst
ixpk= 32223, nxpk= 0, iat=1853,1877, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 119 VAL HA 122 ARG HA 6.00 (# 32226.1 Unique )
&rst
ixpk= 32226, nxpk= 0, iat=1853,1889, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 119 VAL HB 32 GLU HA 4.70 (# 32229.1 Unique )
&rst
ixpk= 32229, nxpk= 0, iat=1855, 498, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 119 VAL MG2 31 THR MG2 5.20 (# 32242.1 Unique )
&rst
ixpk= 32242, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1=1861,1862,1863,
igr2= 488, 489, 490,
&end
#
# 119 VAL MG2 32 GLU QG 5.30 (# 32245.1 Unique )
&rst
ixpk= 32245, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1861,1862,1863,
igr2= 503, 504,
&end
#
# 119 VAL MG2 68 ILE QG1 4.80 (# 32249.1 Unique )
&rst
ixpk= 32249, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1861,1862,1863,
igr2=1056,1057,
&end
#
# 119 VAL MG2 31 THR HB 6.00 (# 32256.1 Unique )
&rst
ixpk= 32256, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1861,1862,1863,
&end
#
# 119 VAL MG2 120 ALA HN 4.60 (# 32269.1 Unique )
&rst
ixpk= 32269, nxpk= 0, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1861,1862,1863,
&end
#
# 116 GLY QA 121 ALA MB 3.40 (# 32289.1 Unique )
&rst
ixpk= 32289, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1824,1825,
igr2=1881,1882,1883,
&end
#
# 42 GLY QA 42 GLY HN 2.90 (# 32297.1 Unique )
&rst
ixpk= 32297, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 668, 669,
&end
#
# 111 GLY QA 0 AMB m:32317 3.40 (# 32317.1 Single Ambig [MG1 87 MD1 90] )
&rst
ixpk= 32317, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1740,1741,
igr2=1363,1364,1365,1416,1417,1418,
&end
#
# 111 GLY QA 114 ARG QB 5.00 (# 32322.1 Unique )
&rst
ixpk= 32322, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1740,1741,
igr2=1787,1788,
&end
#
# 111 GLY QA 90 LEU QB 3.90 (# 32327.1 Unique )
&rst
ixpk= 32327, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1740,1741,
igr2=1411,1412,
&end
#
# 111 GLY QA 90 LEU HN 4.50 (# 32349.1 Unique; orig = 3.80 )
&rst
ixpk= 32349, nxpk= 0, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1740,1741,
&end
#
# 111 GLY QA 91 SER HG 4.20 (# 32357.1 Unique )
&rst
ixpk= 32357, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1740,1741,
&end
#
# 111 GLY QA 108 ILE HA 6.00 (# 32361.1 Unique )
&rst
ixpk= 32361, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1740,1741,
&end
#
# 111 GLY QA 87 VAL HA 5.20 (# 32365.1 Unique )
&rst
ixpk= 32365, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1740,1741,
&end
#
# 37 GLY QA 16 LEU HN 5.80 (# 32377.1 Unique )
&rst
ixpk= 32377, nxpk= 0, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 587, 588,
&end
#
# 37 GLY QA 13 VAL HA 4.30 (# 32391.1 Unique )
&rst
ixpk= 32391, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 587, 588,
&end
#
# 69 GLY QA 68 ILE QG1 6.00 (# 32403.1 Unique )
&rst
ixpk= 32403, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1067,1068,
igr2=1056,1057,
&end
#
# 56 GLY QA 55 LEU HA 6.00 (# 32421.1 Unique )
&rst
ixpk= 32421, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 859, 860,
&end
#
# 56 GLY QA 60 ILE MD 6.00 (# 32425.1 Unique )
&rst
ixpk= 32425, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 859, 860,
igr2= 925, 926, 927,
&end
#
# 56 GLY QA 59 LYS QB 6.00 (# 32429.1 Unique )
&rst
ixpk= 32429, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 859, 860,
igr2= 894, 895,
&end
#
# 69 GLY QA 70 ARG QB 6.00 (# 32443.1 Unique )
&rst
ixpk= 32443, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1067,1068,
igr2=1076,1077,
&end
#
# 71 GLY QA 70 ARG QB 6.00 (# 32478.1 Unique )
&rst
ixpk= 32478, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1098,1099,
igr2=1076,1077,
&end
#
# 107 HIS HA 110 LEU HN 4.30 (# 32487.1 Unique )
&rst
ixpk= 32487, nxpk= 0, iat=1666,1719, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 107 HIS HA 111 GLY HN 6.00 (# 32493.1 Unique )
&rst
ixpk= 32493, nxpk= 0, iat=1666,1738, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 107 HIS HA 109 LEU HN 5.80 (# 32496.1 Unique )
&rst
ixpk= 32496, nxpk= 0, iat=1666,1700, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 107 HIS HA 110 LEU QB 3.80 (# 32503.1 Unique )
&rst
ixpk= 32503, nxpk= 0, iat=1666, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1723,1724,
&end
#
# 107 HIS QB 106 GLU HN 6.00 (# 32515.1 Unique )
&rst
ixpk= 32515, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1668,1669,
&end
#
# 107 HIS QB 104 GLY QA 5.40 (# 32519.1 Unique )
&rst
ixpk= 32519, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1668,1669,
igr2=1630,1631,
&end
#
# 107 HIS QB 110 LEU QB 6.00 (# 32524.1 Unique )
&rst
ixpk= 32524, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1668,1669,
igr2=1723,1724,
&end
#
# 107 HIS QB 103 VAL MG2 4.50 (# 32529.1 Unique; orig = 3.60 )
&rst
ixpk= 32529, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1668,1669,
igr2=1622,1623,1624,
&end
#
# 107 HIS QB 107 HIS HD2 4.10 (# 32533.1 Unique )
&rst
ixpk= 32533, nxpk= 0, iat= -1,1677, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1668,1669,
&end
#
# 107 HIS QB 0 AMB m:32537 4.50 (# 32537.1 Single Ambig [HN 108 HN 110] )
&rst
ixpk= 32537, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1668,1669,
igr2=1681,1719,
&end
#
# 107 HIS QB 0 AMB m:32542 6.00 (# 32542.1 Single Ambig [HN 94 HN 91] )
&rst
ixpk= 32542, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1668,1669,
igr2=1466,1426,
&end
#
# 33 HIS HA 36 LEU QB 2.50 (# 32579.1 Unique )
&rst
ixpk= 32579, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 570, 571,
&end
#
# 145 ASN QB 145 ASN QD2 6.00 (# 32595.1 Unique )
&rst
ixpk= 32595, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2262,2263,
igr2=2267,2268,
&end
#
# 52 ALA HA 51 GLN QB 5.20 (# 32608.1 Unique )
&rst
ixpk= 32608, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 789, 790,
&end
#
# 52 ALA HA 51 GLN QB 6.00 (# 32612.1 Unique )
&rst
ixpk= 32612, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 789, 790,
&end
#
# 8 GLU HA 11 GLN HN 3.60 (# 32655.1 Unique )
&rst
ixpk= 32655, nxpk= 0, iat= 125, 172, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 8 GLU HA 12 LYS HN 5.10 (# 32664.1 Unique )
&rst
ixpk= 32664, nxpk= 0, iat= 125, 189, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 144 SER HA 145 ASN HN 3.80 (# 32667.1 Unique )
&rst
ixpk= 32667, nxpk= 0, iat=2249,2258, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 143 GLY QA 142 LEU MD1 5.00 (# 32686.1 Unique )
&rst
ixpk= 32686, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2242,2243,
igr2=2230,2231,2232,
&end
#
# 64 VAL HA 67 LEU QB 3.60 (# 32697.1 Unique )
&rst
ixpk= 32697, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1031,1032,
&end
#
# 87 VAL HA 87 VAL HN 3.00 (# 32711.1 Unique )
&rst
ixpk= 32711, nxpk= 0, iat=1359,1357, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 13 VAL HA 16 LEU HN 3.90 (# 32717.1 Unique )
&rst
ixpk= 32717, nxpk= 0, iat= 213, 256, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 87 VAL HA 91 SER HN 4.50 (# 32723.1 Unique )
&rst
ixpk= 32723, nxpk= 0, iat=1359,1426, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 VAL HA 68 ILE HN 5.00 (# 32729.1 Unique )
&rst
ixpk= 32729, nxpk= 0, iat= 987,1046, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 VAL HB 40 ARG HN 4.50 (# 32746.1 Unique; orig = 3.30 )
&rst
ixpk= 32746, nxpk= 0, iat= 615, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 138 VAL MG1 110 LEU HN 4.90 (# 32773.1 Unique )
&rst
ixpk= 32773, nxpk= 0, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2156,2157,2158,
&end
#
# 138 VAL MG1 49 ALA HN 6.00 (# 32779.1 Unique )
&rst
ixpk= 32779, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2156,2157,2158,
&end
#
# 138 VAL MG1 107 HIS HD2 6.00 (# 32785.1 Unique )
&rst
ixpk= 32785, nxpk= 0, iat= -1,1677, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2156,2157,2158,
&end
#
# 137 GLN HA 138 VAL HN 4.50 (# 32788.1 Unique; orig = 3.40 )
&rst
ixpk= 32788, nxpk= 0, iat=2135,2150, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 GLN HA 140 GLN HN 4.30 (# 32794.1 Unique )
&rst
ixpk= 32794, nxpk= 0, iat=2135,2185, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 137 GLN HA 141 LEU HN 5.10 (# 32797.1 Unique )
&rst
ixpk= 32797, nxpk= 0, iat=2135,2202, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 137 GLN QB 0 AMB m:32827 3.50 (# 32827.1 Single Ambig [HG 53 QB 53] )
&rst
ixpk= 32827, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2137,2138,
igr2= 819, 816, 817,
&end
#
# 137 GLN QB 137 GLN QE2 4.70 (# 32840.1 Unique )
&rst
ixpk= 32840, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=2137,2138,
igr2=2145,2146,
&end
#
# 137 GLN QB 138 VAL HN 4.50 (# 32852.1 Unique )
&rst
ixpk= 32852, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2137,2138,
&end
#
# 137 GLN QB 53 LEU HN 5.60 (# 32856.1 Unique )
&rst
ixpk= 32856, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=2137,2138,
&end
#
# 137 GLN QB 53 LEU QB 6.00 (# 32860.1 Unique )
&rst
ixpk= 32860, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2137,2138,
igr2= 816, 817,
&end
#
# 41 GLU QB 41 GLU HA 3.60 (# 32880.1 Unique )
&rst
ixpk= 32880, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 655, 656,
&end
#
# 41 GLU QB 13 VAL MG2 5.60 (# 32884.1 Unique )
&rst
ixpk= 32884, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 655, 656,
igr2= 221, 222, 223,
&end
#
# 135 ARG HA 135 ARG QB 3.00 (# 32898.1 Unique )
&rst
ixpk= 32898, nxpk= 0, iat=2094, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2096,2097,
&end
#
# 135 ARG HA 138 VAL MG2 4.50 (# 32911.1 Unique; orig = 3.10 )
&rst
ixpk= 32911, nxpk= 0, iat=2094, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2160,2161,2162,
&end
#
# 135 ARG HA 0 AMB m:32917 4.00 (# 32917.1 Single Ambig [HN 139 HN 138] )
&rst
ixpk= 32917, nxpk= 0, iat=2094, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2166,2150,
&end
#
# 88 ILE QG1 80 TYR HE 6.00 (# 32944.1 Unique )
&rst
ixpk= 32944, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1383,1384,
igr2=1240,1245,
&end
#
# 135 ARG QB 135 ARG HN 6.00 (# 32948.1 Unique )
&rst
ixpk= 32948, nxpk= 0, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2096,2097,
&end
#
# 130 SER HA 130 SER HN 3.00 (# 32980.1 Unique )
&rst
ixpk= 32980, nxpk= 0, iat=2018,2016, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 130 SER QB 133 LYS QB 6.00 (# 33008.1 Unique )
&rst
ixpk= 33008, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2020,2021,
igr2=2064,2065,
&end
#
# 130 SER QB 133 LYS QB 6.00 (# 33014.1 Unique )
&rst
ixpk= 33014, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2020,2021,
igr2=2064,2065,
&end
#
# 129 VAL HA 53 LEU MD2 6.00 (# 33026.1 Unique )
&rst
ixpk= 33026, nxpk= 0, iat=2002, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 825, 826, 827,
&end
#
# 129 VAL MG1 130 SER HN 2.60 (# 33032.1 Unique )
&rst
ixpk= 33032, nxpk= 0, iat= -1,2016, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1=2006,2007,2008,
&end
#
# 128 GLY QA 127 LEU HN 6.00 (# 33051.1 Unique )
&rst
ixpk= 33051, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1995,1996,
&end
#
# 128 GLY QA 127 LEU HA 5.80 (# 33055.1 Unique )
&rst
ixpk= 33055, nxpk= 0, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1995,1996,
&end
#
# 132 ASN HA 134 ALA HN 5.00 (# 33069.1 Unique )
&rst
ixpk= 33069, nxpk= 0, iat=2048,2082, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 132 ASN QB 131 LEU HA 6.00 (# 33076.1 Unique )
&rst
ixpk= 33076, nxpk= 0, iat= -1,2029, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2050,2051,
&end
#
# 126 ASN QB 127 LEU QB 6.00 (# 33124.1 Unique )
&rst
ixpk= 33124, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1964,1965,
igr2=1978,1979,
&end
#
# 126 ASN QB 63 GLU QB 6.00 (# 33129.1 Unique )
&rst
ixpk= 33129, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1964,1965,
igr2= 974, 975,
&end
#
# 126 ASN QB 126 ASN QD2 5.20 (# 33134.1 Unique )
&rst
ixpk= 33134, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1964,1965,
igr2=1969,1970,
&end
#
# 126 ASN QB 126 ASN QD2 3.10 (# 33146.1 Unique )
&rst
ixpk= 33146, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1964,1965,
igr2=1969,1970,
&end
#
# 123 VAL HA 124 LEU HN 3.90 (# 33164.1 Unique )
&rst
ixpk= 33164, nxpk= 0, iat=1913,1927, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 123 VAL HA 126 ASN QD2 4.90 (# 33176.1 Unique )
&rst
ixpk= 33176, nxpk= 0, iat=1913, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1969,1970,
&end
#
# 123 VAL HA 126 ASN HA 6.00 (# 33179.1 Unique )
&rst
ixpk= 33179, nxpk= 0, iat=1913,1962, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 123 VAL HA 123 VAL HB 3.10 (# 33182.1 Unique )
&rst
ixpk= 33182, nxpk= 0, iat=1913,1915, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 123 VAL HB 125 ASN HN 6.00 (# 33196.1 Unique )
&rst
ixpk= 33196, nxpk= 0, iat=1915,1946, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 123 VAL MG2 124 LEU HN 4.50 (# 33199.1 Unique )
&rst
ixpk= 33199, nxpk= 0, iat= -1,1927, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1921,1922,1923,
&end
#
# 123 VAL MG2 126 ASN QD2 5.20 (# 33205.1 Unique )
&rst
ixpk= 33205, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1921,1922,1923,
igr2=1969,1970,
&end
#
# 123 VAL MG2 64 VAL HN 3.60 (# 33211.1 Unique )
&rst
ixpk= 33211, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1921,1922,1923,
&end
#
# 123 VAL MG1 126 ASN QD2 6.00 (# 33226.1 Unique )
&rst
ixpk= 33226, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1917,1918,1919,
igr2=1969,1970,
&end
#
# 123 VAL MG1 120 ALA HA 4.50 (# 33232.1 Unique )
&rst
ixpk= 33232, nxpk= 0, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1917,1918,1919,
&end
#
# 123 VAL MG1 63 GLU HA 6.00 (# 33235.1 Unique )
&rst
ixpk= 33235, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1917,1918,1919,
&end
#
# 123 VAL MG1 64 VAL HA 4.30 (# 33238.1 Unique )
&rst
ixpk= 33238, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1917,1918,1919,
&end
#
# 123 VAL MG1 127 LEU HA 6.00 (# 33241.1 Unique )
&rst
ixpk= 33241, nxpk= 0, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1917,1918,1919,
&end
#
# 123 VAL MG1 0 AMB m:33244 4.10 (# 33244.1 Single Ambig [HG 124 QB 127] )
&rst
ixpk= 33244, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1917,1918,1919,
igr2=1934,1978,1979,
&end
#
# 123 VAL MG1 0 AMB m:33248 4.30 (# 33248.1 Single Ambig [QB 127 QB 124] )
&rst
ixpk= 33248, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1917,1918,1919,
igr2=1978,1979,1931,1932,
&end
#
# 122 ARG HA 123 VAL HN 4.60 (# 33258.1 Unique )
&rst
ixpk= 33258, nxpk= 0, iat=1889,1911, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 122 ARG HA 125 ASN HN 4.20 (# 33264.1 Unique )
&rst
ixpk= 33264, nxpk= 0, iat=1889,1946, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 100 HIS HA 101 SER QB 6.00 (# 33271.1 Unique )
&rst
ixpk= 33271, nxpk= 0, iat=1565, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1584,1585,
&end
#
# 87 VAL MG1 91 SER HG 3.30 (# 33320.1 Unique )
&rst
ixpk= 33320, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1363,1364,1365,
&end
#
# 88 ILE HA 0 AMB m:33334 6.00 (# 33334.1 Single Ambig [MG2 103 MD1 14] )
&rst
ixpk= 33334, nxpk= 0, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1622,1623,1624, 236, 237, 238,
&end
#
# 88 ILE HA 92 MET HN 5.60 (# 33341.1 Unique )
&rst
ixpk= 33341, nxpk= 0, iat=1375,1437, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 88 ILE HA 89 GLU HN 4.50 (# 33347.1 Unique )
&rst
ixpk= 33347, nxpk= 0, iat=1375,1392, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 ILE MD 87 VAL HB 5.20 (# 33375.1 Unique )
&rst
ixpk= 33375, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1386,1387,1388,
&end
#
# 88 ILE MD 80 TYR QB 6.00 (# 33381.1 Unique; orig = 4.00 )
&rst
ixpk= 33381, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1386,1387,1388,
igr2=1234,1235,
&end
#
# 88 ILE MD 108 ILE HA 6.00 (# 33388.1 Unique )
&rst
ixpk= 33388, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1386,1387,1388,
&end
#
# 88 ILE MD 80 TYR HE 3.40 (# 33391.1 Unique )
&rst
ixpk= 33391, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1386,1387,1388,
igr2=1240,1245,
&end
#
# 88 ILE MD 80 TYR HD 4.80 (# 33394.1 Unique )
&rst
ixpk= 33394, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1386,1387,1388,
igr2=1238,1247,
&end
#
# 88 ILE MD 91 SER HN 6.00 (# 33406.1 Unique )
&rst
ixpk= 33406, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1386,1387,1388,
&end
#
# 88 ILE MG2 0 AMB m:33409 4.70 (# 33409.1 Single Ambig [MG2 103 MD1 14] )
&rst
ixpk= 33409, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1379,1380,1381,
igr2=1622,1623,1624, 236, 237, 238,
&end
#
# 88 ILE MG2 85 LYS HA 5.10 (# 33416.1 Unique )
&rst
ixpk= 33416, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1379,1380,1381,
&end
#
# 88 ILE MG2 91 SER HN 6.00 (# 33429.1 Unique )
&rst
ixpk= 33429, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1379,1380,1381,
&end
#
# 66 SER QB 0 AMB m:33450 5.00 (# 33450.1 Single Ambig [HG 67 QB 67] )
&rst
ixpk= 33450, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1020,1021,
igr2=1034,1031,1032,
&end
#
# 66 SER QB 65 GLU QB 5.80 (# 33457.1 Unique )
&rst
ixpk= 33457, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1=1020,1021,
igr2=1005,1006,
&end
#
# 66 SER QB 62 LYS QB 5.60 (# 33463.1 Unique )
&rst
ixpk= 33463, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1020,1021,
igr2= 952, 953,
&end
#
# 66 SER QB 63 GLU HA 3.70 (# 33467.1 Unique )
&rst
ixpk= 33467, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1020,1021,
&end
#
# 93 ASP HA 96 ARG QB 4.90 (# 33483.1 Unique )
&rst
ixpk= 33483, nxpk= 0, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1495,1496,
&end
#
# 93 ASP HA 94 GLU HN 4.30 (# 33491.1 Unique )
&rst
ixpk= 33491, nxpk= 0, iat=1456,1466, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 93 ASP HA 97 LYS HN 5.40 (# 33494.1 Unique )
&rst
ixpk= 33494, nxpk= 0, iat=1456,1515, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 93 ASP QB 90 LEU HN 6.00 (# 33509.1 Unique; orig = 3.90 )
&rst
ixpk= 33509, nxpk= 0, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1458,1459,
&end
#
# 105 THR HA 108 ILE QG1 4.50 (# 33517.1 Unique )
&rst
ixpk= 33517, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1691,1692,
&end
#
# 31 THR HA 34 ILE QG1 4.80 (# 33524.1 Unique )
&rst
ixpk= 33524, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 538, 539,
&end
#
# 105 THR HA 105 THR HN 3.70 (# 33531.1 Unique )
&rst
ixpk= 33531, nxpk= 0, iat=1637,1635, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 31 THR HA 35 LEU QB 6.00 (# 33546.1 Unique )
&rst
ixpk= 33546, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 551, 552,
&end
#
# 105 THR HA 13 VAL MG1 5.40 (# 33550.1 Unique )
&rst
ixpk= 33550, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 217, 218, 219,
&end
#
# 105 THR HA 107 HIS HN 5.80 (# 33553.1 Unique )
&rst
ixpk= 33553, nxpk= 0, iat=1637,1664, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 0 AMB m:33559a 0 AMB m:33559b 5.80 (# 33559.1 Double Ambig [HB 31 HB 105] [HB 34 HB 108] )
&rst
ixpk= 33559, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 486,1639,
igr2= 532,1685,
&end
#
# 31 THR HB 121 ALA HN 6.00 (# 33563.1 Unique )
&rst
ixpk= 33563, nxpk= 0, iat= 486,1877, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB m:33569a 0 AMB m:33569b 6.00 (# 33569.1 Double Ambig [HB 105 HB 31] [HN 105 HN 31] )
&rst
ixpk= 33569, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1639, 486,
igr2=1635, 482,
&end
#
# 31 THR MG2 0 AMB m:33576 4.50 (# 33576.1 Single Ambig [QA 116 HA 112]; orig = 3.10 )
&rst
ixpk= 33576, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 488, 489, 490,
igr2=1824,1825,1747,
&end
#
# 105 THR MG2 10 ALA HN 4.00 (# 33584.1 Unique )
&rst
ixpk= 33584, nxpk= 0, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1641,1642,1643,
&end
#
# 105 THR MG2 108 ILE HN 6.00 (# 33587.1 Unique )
&rst
ixpk= 33587, nxpk= 0, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1641,1642,1643,
&end
#
# 31 THR MG2 87 VAL HN 5.00 (# 33593.1 Unique )
&rst
ixpk= 33593, nxpk= 0, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 488, 489, 490,
&end
#
# 31 THR MG2 121 ALA HN 6.00 (# 33596.1 Unique )
&rst
ixpk= 33596, nxpk= 0, iat= -1,1877, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 488, 489, 490,
&end
#
# 105 THR MG2 6 PHE HD 6.00 (# 33610.1 Unique )
&rst
ixpk= 33610, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1641,1642,1643,
igr2= 97, 105,
&end
#
# 105 THR MG2 107 HIS HN 6.00 (# 33613.1 Unique )
&rst
ixpk= 33613, nxpk= 0, iat= -1,1664, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1641,1642,1643,
&end
#
# 31 THR MG2 33 HIS HN 6.00 (# 33616.1 Unique )
&rst
ixpk= 33616, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 488, 489, 490,
&end
#
# 105 THR MG2 109 LEU HN 6.00 (# 33619.1 Unique )
&rst
ixpk= 33619, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1641,1642,1643,
&end
#
# 28 ASN QB 79 HIS QB 5.70 (# 33653.1 Unique )
&rst
ixpk= 33653, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 446, 447,
igr2=1217,1218,
&end
#
# 28 ASN QB 0 AMB m:33658 6.00 (# 33658.1 Single Ambig [MG2 78 MD 78] )
&rst
ixpk= 33658, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 446, 447,
igr2=1200,1201,1202,1207,1208,1209,
&end
#
# 94 GLU HA 95 ALA HN 4.50 (# 33669.1 Unique; orig = 3.50 )
&rst
ixpk= 33669, nxpk= 0, iat=1468,1481, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 92 MET HA 103 VAL MG1 4.30 (# 33675.1 Unique )
&rst
ixpk= 33675, nxpk= 0, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1618,1619,1620,
&end
#
# 94 GLU HA 97 LYS QB 6.00 (# 33678.1 Unique )
&rst
ixpk= 33678, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1519,1520,
&end
#
# 94 GLU HA 97 LYS QB 2.90 (# 33690.1 Unique )
&rst
ixpk= 33690, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1519,1520,
&end
#
# 92 MET QB 88 ILE MG2 6.00 (# 33702.1 Unique )
&rst
ixpk= 33702, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1441,1442,
igr2=1379,1380,1381,
&end
#
# 92 MET QB 0 AMB m:33724 6.00 (# 33724.1 Single Ambig [HN 91 HN 94] )
&rst
ixpk= 33724, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1441,1442,
igr2=1426,1466,
&end
#
# 92 MET ME 92 MET QB 3.80 (# 33779.1 Unique )
&rst
ixpk= 33779, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1448,1449,1450,
igr2=1441,1442,
&end
#
# 92 MET ME 6 PHE HE 4.30 (# 33795.1 Unique )
&rst
ixpk= 33795, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1448,1449,1450,
igr2= 99, 103,
&end
#
# 92 MET ME 6 PHE HA 6.00 (# 33798.1 Unique )
&rst
ixpk= 33798, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1448,1449,1450,
&end
#
# 92 MET ME 103 VAL HN 6.00 (# 33801.1 Unique )
&rst
ixpk= 33801, nxpk= 0, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1448,1449,1450,
&end
#
# 92 MET ME 91 SER HN 6.00 (# 33804.1 Unique )
&rst
ixpk= 33804, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1448,1449,1450,
&end
#
# 67 LEU HA 68 ILE HN 4.30 (# 33829.1 Unique )
&rst
ixpk= 33829, nxpk= 0, iat=1029,1046, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 22 LEU MD2 19 GLU HA 6.00 (# 33864.1 Unique; orig = 3.80 )
&rst
ixpk= 33864, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 355, 356, 357,
&end
#
# 108 ILE HA 91 SER QB 3.40 (# 33885.1 Unique )
&rst
ixpk= 33885, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1430,1431,
&end
#
# 108 ILE HA 91 SER HG 4.30 (# 33892.1 Unique )
&rst
ixpk= 33892, nxpk= 0, iat=1683,1433, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 108 ILE HA 108 ILE HN 3.40 (# 33898.1 Unique )
&rst
ixpk= 33898, nxpk= 0, iat=1683,1681, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 108 ILE HA 111 GLY HN 4.10 (# 33901.1 Unique )
&rst
ixpk= 33901, nxpk= 0, iat=1683,1738, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 108 ILE QG1 107 HIS HN 6.00 (# 33952.1 Unique )
&rst
ixpk= 33952, nxpk= 0, iat= -1,1664, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1691,1692,
&end
#
# 108 ILE MG2 35 LEU HN 6.00 (# 33965.1 Unique )
&rst
ixpk= 33965, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1687,1688,1689,
&end
#
# 78 ILE MG2 29 ILE QG1 2.90 (# 33971.1 Unique )
&rst
ixpk= 33971, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1200,1201,1202,
igr2= 466, 467,
&end
#
# 108 ILE MG2 108 ILE QG1 2.80 (# 33975.1 Unique )
&rst
ixpk= 33975, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1687,1688,1689,
igr2=1691,1692,
&end
#
# 108 ILE MD 6 PHE HD 2.60 (# 33979.1 Unique )
&rst
ixpk= 33979, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1=1694,1695,1696,
igr2= 97, 105,
&end
#
# 108 ILE MD 108 ILE HN 4.60 (# 33982.1 Unique )
&rst
ixpk= 33982, nxpk= 0, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1694,1695,1696,
&end
#
# 108 ILE MD 105 THR HN 6.00 (# 33985.1 Unique )
&rst
ixpk= 33985, nxpk= 0, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1694,1695,1696,
&end
#
# 3 PHE QB 3 PHE HD 3.60 (# 33991.1 Unique )
&rst
ixpk= 33991, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 42, 43,
igr2= 46, 54,
&end
#
# 3 PHE QB 3 PHE HE 6.00 (# 33995.1 Unique )
&rst
ixpk= 33995, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 42, 43,
igr2= 48, 52,
&end
#
# 3 PHE QB 102 TYR HD 6.00 (# 34003.1 Unique )
&rst
ixpk= 34003, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 42, 43,
igr2=1599,1608,
&end
#
# 3 PHE QB 4 GLY QA 6.00 (# 34011.1 Unique )
&rst
ixpk= 34011, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 42, 43,
igr2= 60, 61,
&end
#
# 5 ARG QB 102 TYR HD 6.00 (# 34051.1 Unique )
&rst
ixpk= 34051, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 69, 70,
igr2=1599,1608,
&end
#
# 5 ARG QB 103 VAL HN 6.00 (# 34059.1 Unique )
&rst
ixpk= 34059, nxpk= 0, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 69, 70,
&end
#
# 2 MET QB 0 AMB m:34105 6.00 (# 34105.1 Single Ambig [HE 3 HE 96] )
&rst
ixpk= 34105, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 25, 26,
igr2= 48, 52,1504,
&end
#
# 7 THR MG2 6 PHE QB 6.00 (# 34111.1 Unique )
&rst
ixpk= 34111, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 115, 116, 117,
igr2= 93, 94,
&end
#
# 8 GLU HA 10 ALA MB 6.00 (# 34127.1 Unique )
&rst
ixpk= 34127, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
&end
#
# 8 GLU HA 7 THR HA 6.00 (# 34130.1 Unique )
&rst
ixpk= 34130, nxpk= 0, iat= 125, 111, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 8 GLU QG 8 GLU HN 4.10 (# 34143.1 Unique )
&rst
ixpk= 34143, nxpk= 0, iat= -1, 123, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 130, 131,
&end
#
# 8 GLU QG 11 GLN QE2 6.00 (# 34151.1 Unique )
&rst
ixpk= 34151, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 130, 131,
igr2= 184, 185,
&end
#
# 8 GLU QG 11 GLN QE2 6.00 (# 34155.1 Unique )
&rst
ixpk= 34155, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 130, 131,
igr2= 184, 185,
&end
#
# 9 ARG QB 9 ARG QB 3.10 (# 34172.1 Unique )
#This appears to be self-referential: ignoring
#
# 83 ARG QB 83 ARG QB 3.10 (# 34184.1 Unique )
#This appears to be self-referential: ignoring
#
# 9 ARG QB 9 ARG HN 6.00 (# 34192.1 Unique )
&rst
ixpk= 34192, nxpk= 0, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 142, 143,
&end
#
# 83 ARG QB 83 ARG HN 6.00 (# 34196.1 Unique )
&rst
ixpk= 34196, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1283,1284,
&end
#
# 9 ARG QB 45 ILE HN 6.00 (# 34200.1 Unique )
&rst
ixpk= 34200, nxpk= 0, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 142, 143,
&end
#
# 141 LEU HA 138 VAL HA 6.00 (# 34218.1 Unique )
&rst
ixpk= 34218, nxpk= 0, iat=2204,2152, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 141 LEU HA 0 AMB m:34221 3.10 (# 34221.1 Single Ambig [HN 141 HN 143] )
&rst
ixpk= 34221, nxpk= 0, iat=2204, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=2202,2240,
&end
#
# 141 LEU HA 140 GLN HN 6.00 (# 34228.1 Unique )
&rst
ixpk= 34228, nxpk= 0, iat=2204,2185, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 141 LEU QB 141 LEU HG 3.30 (# 34245.1 Unique )
&rst
ixpk= 34245, nxpk= 0, iat= -1,2209, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=2206,2207,
&end
#
# 86 LYS QB 90 LEU MD1 5.60 (# 34249.1 Unique )
&rst
ixpk= 34249, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1339,1340,
igr2=1416,1417,1418,
&end
#
# 86 LYS QB 86 LYS QB 3.80 (# 34253.1 Unique )
#This appears to be self-referential: ignoring
#
# 136 GLN QB 136 GLN QE2 5.40 (# 34267.1 Unique )
&rst
ixpk= 34267, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=2120,2121,
igr2=2128,2129,
&end
#
# 136 GLN QB 136 GLN QE2 3.60 (# 34275.1 Unique )
&rst
ixpk= 34275, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2120,2121,
igr2=2128,2129,
&end
#
# 63 GLU HA 123 VAL MG2 5.20 (# 34286.1 Unique )
&rst
ixpk= 34286, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1921,1922,1923,
&end
#
# 140 GLN HA 141 LEU HN 3.90 (# 34292.1 Unique )
&rst
ixpk= 34292, nxpk= 0, iat=2187,2202, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 136 GLN HA 136 GLN QE2 6.00 (# 34301.1 Unique )
&rst
ixpk= 34301, nxpk= 0, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2128,2129,
&end
#
# 11 GLN QB 12 LYS HN 4.50 (# 34316.1 Unique; orig = 3.10 )
&rst
ixpk= 34316, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 176, 177,
&end
#
# 135 ARG QB 135 ARG HA 5.40 (# 34354.1 Unique )
&rst
ixpk= 34354, nxpk= 0, iat= -1,2094, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=2096,2097,
&end
#
# 134 ALA HA 53 LEU MD2 4.50 (# 34358.1 Unique )
&rst
ixpk= 34358, nxpk= 0, iat=2084, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 825, 826, 827,
&end
#
# 134 ALA HA 137 GLN QB 3.10 (# 34361.1 Unique )
&rst
ixpk= 34361, nxpk= 0, iat=2084, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=2137,2138,
&end
#
# 134 ALA MB 137 GLN QB 5.20 (# 34371.1 Unique )
&rst
ixpk= 34371, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=2086,2087,2088,
igr2=2137,2138,
&end
#
# 134 ALA MB 132 ASN QB 6.00 (# 34382.1 Unique )
&rst
ixpk= 34382, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2086,2087,2088,
igr2=2050,2051,
&end
#
# 134 ALA MB 135 ARG QB 6.00 (# 34386.1 Unique )
&rst
ixpk= 34386, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2086,2087,2088,
igr2=2096,2097,
&end
#
# 134 ALA MB 132 ASN HA 6.00 (# 34390.1 Unique )
&rst
ixpk= 34390, nxpk= 0, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2086,2087,2088,
&end
#
# 134 ALA MB 130 SER HN 6.00 (# 34393.1 Unique )
&rst
ixpk= 34393, nxpk= 0, iat= -1,2016, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2086,2087,2088,
&end
#
# 127 LEU HA 127 LEU HN 3.40 (# 34422.1 Unique )
&rst
ixpk= 34422, nxpk= 0, iat=1976,1974, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 127 LEU QB 124 LEU HA 4.50 (# 34440.1 Unique )
&rst
ixpk= 34440, nxpk= 0, iat= -1,1929, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1978,1979,
&end
#
# 142 LEU HG 143 GLY HN 4.50 (# 34459.1 Unique )
&rst
ixpk= 34459, nxpk= 0, iat=2228,2240, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 142 LEU HG 142 LEU HN 3.50 (# 34465.1 Unique; orig = 3.00 )
&rst
ixpk= 34465, nxpk= 0, iat=2228,2221, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 127 LEU MD2 127 LEU QB 2.50 (# 34471.1 Unique )
&rst
ixpk= 34471, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1987,1988,1989,
igr2=1978,1979,
&end
#
# 127 LEU MD2 127 LEU HN 3.90 (# 34475.1 Unique )
&rst
ixpk= 34475, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1987,1988,1989,
&end
#
# 127 LEU MD1 63 GLU QB 4.10 (# 34482.1 Unique )
&rst
ixpk= 34482, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1983,1984,1985,
igr2= 974, 975,
&end
#
# 127 LEU MD1 60 ILE HA 4.50 (# 34493.1 Unique; orig = 3.10 )
&rst
ixpk= 34493, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1983,1984,1985,
&end
#
# 127 LEU MD1 128 GLY HN 4.50 (# 34499.1 Unique; orig = 3.00 )
&rst
ixpk= 34499, nxpk= 0, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1983,1984,1985,
&end
#
# 127 LEU MD1 129 VAL HN 6.00 (# 34502.1 Unique; orig = 3.10 )
&rst
ixpk= 34502, nxpk= 0, iat= -1,2000, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1983,1984,1985,
&end
#
# 125 ASN HA 125 ASN QD2 5.60 (# 34505.1 Unique )
&rst
ixpk= 34505, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1955,1956,
&end
#
# 125 ASN HA 0 AMB m:34508 3.30 (# 34508.1 Single Ambig [QD2 125 HN 127] )
&rst
ixpk= 34508, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1955,1956,1974,
&end
#
# 125 ASN QB 126 ASN HA 5.20 (# 34522.1 Unique )
&rst
ixpk= 34522, nxpk= 0, iat= -1,1962, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1950,1951,
&end
#
# 124 LEU HG 124 LEU QB 3.60 (# 34526.1 Unique )
&rst
ixpk= 34526, nxpk= 0, iat=1934, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1931,1932,
&end
#
# 124 LEU HA 127 LEU MD1 3.00 (# 34530.1 Unique )
&rst
ixpk= 34530, nxpk= 0, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1983,1984,1985,
&end
#
# 124 LEU HA 0 AMB m:34541 4.00 (# 34541.1 Single Ambig [HB 129 HG 127] )
&rst
ixpk= 34541, nxpk= 0, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2004,1981,
&end
#
# 124 LEU HA 0 AMB m:34545 4.30 (# 34545.1 Single Ambig [HN 125 HN 129] )
&rst
ixpk= 34545, nxpk= 0, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1946,2000,
&end
#
# 124 LEU HA 123 VAL HN 6.00 (# 34558.1 Unique )
&rst
ixpk= 34558, nxpk= 0, iat=1929,1911, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 124 LEU QB 0 AMB m:34561 3.00 (# 34561.1 Single Ambig [MD1 124 MD2 124] )
&rst
ixpk= 34561, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1931,1932,
igr2=1936,1937,1938,1940,1941,1942,
&end
#
# 124 LEU QB 0 AMB m:34567 4.70 (# 34567.1 Single Ambig [MG2 129 MG1 129] )
&rst
ixpk= 34567, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1=1931,1932,
igr2=2010,2011,2012,2006,2007,2008,
&end
#
# 124 LEU QB 123 VAL HN 6.00 (# 34583.1 Unique )
&rst
ixpk= 34583, nxpk= 0, iat= -1,1911, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1931,1932,
&end
#
# 124 LEU QB 126 ASN HN 6.00 (# 34587.1 Unique )
&rst
ixpk= 34587, nxpk= 0, iat= -1,1960, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1931,1932,
&end
#
# 24 LEU HG 24 LEU HA 3.60 (# 34591.1 Unique )
&rst
ixpk= 34591, nxpk= 0, iat= 392, 387, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 124 LEU MD1 113 ILE HA 4.10 (# 34603.1 Unique )
&rst
ixpk= 34603, nxpk= 0, iat= -1,1766, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1936,1937,1938,
&end
#
# 50 LEU MD1 49 ALA HN 6.00 (# 34612.1 Unique )
&rst
ixpk= 34612, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 775, 776, 777,
&end
#
# 124 LEU MD1 0 AMB m:34618 6.00 (# 34618.1 Single Ambig [HN 123 HN 114] )
&rst
ixpk= 34618, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1936,1937,1938,
igr2=1911,1783,
&end
#
# 124 LEU MD1 124 LEU HN 4.50 (# 34622.1 Unique )
&rst
ixpk= 34622, nxpk= 0, iat= -1,1927, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1936,1937,1938,
&end
#
# 122 ARG QB 122 ARG HN 3.50 (# 34647.1 Unique; orig = 2.90 )
&rst
ixpk= 34647, nxpk= 0, iat= -1,1887, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1891,1892,
&end
#
# 122 ARG QB 123 VAL HN 6.00 (# 34686.1 Unique )
&rst
ixpk= 34686, nxpk= 0, iat= -1,1911, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1891,1892,
&end
#
# 120 ALA MB 112 LEU QB 3.10 (# 34695.1 Unique )
&rst
ixpk= 34695, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1871,1872,1873,
igr2=1749,1750,
&end
#
# 120 ALA MB 35 LEU QB 3.10 (# 34699.1 Unique )
&rst
ixpk= 34699, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1871,1872,1873,
igr2= 551, 552,
&end
#
# 120 ALA MB 0 AMB m:34712 3.60 (# 34712.1 Single Ambig [QA 116 HA 112] )
&rst
ixpk= 34712, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1871,1872,1873,
igr2=1824,1825,1747,
&end
#
# 37 GLY QA 0 AMB m:34767 4.50 (# 34767.1 Single Ambig [HA 17 HA 38] )
&rst
ixpk= 34767, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 587, 588,
igr2= 277, 594,
&end
#
# 37 GLY QA 40 ARG QB 4.30 (# 34773.1 Unique )
&rst
ixpk= 34773, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 587, 588,
igr2= 631, 632,
&end
#
# 37 GLY QA 36 LEU QB 6.00 (# 34778.1 Unique )
&rst
ixpk= 34778, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 587, 588,
igr2= 570, 571,
&end
#
# 104 GLY QA 104 GLY HN 3.60 (# 34783.1 Unique )
&rst
ixpk= 34783, nxpk= 0, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1630,1631,
&end
#
# 104 GLY QA 107 HIS HN 5.80 (# 34799.1 Unique )
&rst
ixpk= 34799, nxpk= 0, iat= -1,1664, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1630,1631,
&end
#
# 104 GLY QA 106 GLU HN 5.80 (# 34803.1 Unique )
&rst
ixpk= 34803, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1630,1631,
&end
#
# 2 MET QB 2 MET QB 3.60 (# 34823.1 Unique )
#This appears to be self-referential: ignoring
#
# 84 ALA HA 87 VAL HB 2.60 (# 34832.1 Unique )
&rst
ixpk= 34832, nxpk= 0, iat=1305,1361, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 87 VAL HB 31 THR HN 6.00 (# 34869.1 Unique )
&rst
ixpk= 34869, nxpk= 0, iat=1361, 482, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 VAL MG1 42 GLY HN 5.60 (# 34881.1 Unique )
&rst
ixpk= 34881, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 217, 218, 219,
&end
#
# 13 VAL MG1 14 LEU HN 4.60 (# 34887.1 Unique )
&rst
ixpk= 34887, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 217, 218, 219,
&end
#
# 13 VAL MG1 17 ALA HN 6.00 (# 34905.1 Unique )
&rst
ixpk= 34905, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 217, 218, 219,
&end
#
# 87 VAL MG2 90 LEU HN 6.00 (# 34914.1 Unique )
&rst
ixpk= 34914, nxpk= 0, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1367,1368,1369,
&end
#
# 13 VAL MG2 14 LEU HN 2.70 (# 34935.1 Unique )
&rst
ixpk= 34935, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1= 221, 222, 223,
&end
#
# 13 VAL MG2 6 PHE HD 6.00 (# 34938.1 Unique )
&rst
ixpk= 34938, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 221, 222, 223,
igr2= 97, 105,
&end
#
# 13 VAL MG2 10 ALA HA 3.10 (# 34941.1 Unique )
&rst
ixpk= 34941, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 221, 222, 223,
&end
#
# 13 VAL MG2 14 LEU MD1 6.00 (# 34944.1 Unique )
&rst
ixpk= 34944, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 221, 222, 223,
igr2= 236, 237, 238,
&end
#
# 14 LEU HA 17 ALA MB 2.80 (# 34947.1 Unique )
&rst
ixpk= 34947, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 279, 280, 281,
&end
#
# 16 LEU HA 16 LEU QB 3.30 (# 34954.1 Unique )
&rst
ixpk= 34954, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 260, 261,
&end
#
# 0 AMB m:34961 18 GLN HN 5.50 (# 34961.1 Single Ambig [HA 14 HA 16] )
&rst
ixpk= 34961, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 229, 258,
&end
#
# 14 LEU HA 15 ALA HN 4.30 (# 34965.1 Unique )
&rst
ixpk= 34965, nxpk= 0, iat= 229, 246, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 14 LEU HG 14 LEU MD1 2.90 (# 34983.1 Unique )
&rst
ixpk= 34983, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 236, 237, 238,
&end
#
# 14 LEU HG 14 LEU QB 3.10 (# 34986.1 Unique )
&rst
ixpk= 34986, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 231, 232,
&end
#
# 14 LEU HG 6 PHE HD 6.00 (# 34996.1 Unique )
&rst
ixpk= 34996, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 97, 105,
&end
#
# 14 LEU MD2 14 LEU HN 3.90 (# 35014.1 Unique )
&rst
ixpk= 35014, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 240, 241, 242,
&end
#
# 14 LEU MD2 13 VAL HN 6.00 (# 35020.1 Unique )
&rst
ixpk= 35020, nxpk= 0, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 240, 241, 242,
&end
#
# 14 LEU MD2 13 VAL HA 6.00 (# 35023.1 Unique )
&rst
ixpk= 35023, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 240, 241, 242,
&end
#
# 14 LEU MD2 0 AMB m:35026 5.80 (# 35026.1 Single Ambig [HA 11 HA 10] )
&rst
ixpk= 35026, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 240, 241, 242,
igr2= 174, 164,
&end
#
# 14 LEU MD2 15 ALA HA 6.00 (# 35030.1 Unique )
&rst
ixpk= 35030, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 240, 241, 242,
&end
#
# 14 LEU MD2 14 LEU HA 2.30 (# 35033.1 Unique )
&rst
ixpk= 35033, nxpk= 0, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1= 240, 241, 242,
&end
#
# 14 LEU MD2 29 ILE MD 5.00 (# 35036.1 Unique )
&rst
ixpk= 35036, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 240, 241, 242,
igr2= 469, 470, 471,
&end
#
# 14 LEU MD2 13 VAL MG1 5.80 (# 35039.1 Unique )
&rst
ixpk= 35039, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr1= 240, 241, 242,
igr2= 217, 218, 219,
&end
#
# 14 LEU MD1 14 LEU HN 5.20 (# 35065.1 Unique )
&rst
ixpk= 35065, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 236, 237, 238,
&end
#
# 0 AMB m:35074 16 LEU HN 4.50 (# 35074.1 Single Ambig [MD2 16 MD1 16] )
&rst
ixpk= 35074, nxpk= 0, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 269, 270, 271, 265, 266, 267,
&end
#
# 0 AMB m:35078 24 LEU HN 5.20 (# 35078.1 Single Ambig [MD1 24 MD2 24] )
&rst
ixpk= 35078, nxpk= 0, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 394, 395, 396, 398, 399, 400,
&end
#
# 16 LEU QB 16 LEU HG 3.40 (# 35104.1 Unique )
&rst
ixpk= 35104, nxpk= 0, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 260, 261,
&end
#
# 50 LEU HG 50 LEU MD1 2.80 (# 35112.1 Unique )
&rst
ixpk= 35112, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 775, 776, 777,
&end
#
# 16 LEU MD1 42 GLY HN 6.00 (# 35115.1 Unique )
&rst
ixpk= 35115, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 265, 266, 267,
&end
#
# 67 LEU MD1 123 VAL HN 4.90 (# 35122.1 Unique )
&rst
ixpk= 35122, nxpk= 0, iat= -1,1911, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1036,1037,1038,
&end
#
# 67 LEU MD1 67 LEU HN 5.00 (# 35128.1 Unique )
&rst
ixpk= 35128, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1036,1037,1038,
&end
#
# 67 LEU MD1 68 ILE HN 6.00 (# 35131.1 Unique )
&rst
ixpk= 35131, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1036,1037,1038,
&end
#
# 67 LEU MD1 126 ASN QD2 3.70 (# 35134.1 Unique )
&rst
ixpk= 35134, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1036,1037,1038,
igr2=1969,1970,
&end
#
# 0 AMB m:35137 15 ALA HN 6.00 (# 35137.1 Single Ambig [MD2 16 MD1 16] )
&rst
ixpk= 35137, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 269, 270, 271, 265, 266, 267,
&end
#
# 0 AMB m:35141 61 GLN QE2 3.90 (# 35141.1 Single Ambig [MD1 36 MD2 36] )
&rst
ixpk= 35141, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 575, 576, 577, 579, 580, 581,
igr2= 943, 944,
&end
#
# 17 ALA HA 16 LEU HN 6.00 (# 35145.1 Unique )
&rst
ixpk= 35145, nxpk= 0, iat= 277, 256, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 GLN HA 78 ILE MG2 4.10 (# 35152.1 Unique )
&rst
ixpk= 35152, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1200,1201,1202,
&end
#
# 18 GLN HA 17 ALA HN 6.00 (# 35158.1 Unique )
&rst
ixpk= 35158, nxpk= 0, iat= 287, 275, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 GLN HA 0 AMB m:35161 3.80 (# 35161.1 Single Ambig [HN 21 HN 22] )
&rst
ixpk= 35161, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 332, 342,
&end
#
# 18 GLN HA 18 GLN QE2 6.00 (# 35174.1 Unique )
&rst
ixpk= 35174, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 297, 298,
&end
#
# 18 GLN QB 17 ALA HN 6.00 (# 35177.1 Unique )
&rst
ixpk= 35177, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 289, 290,
&end
#
# 18 GLN QB 18 GLN QE2 6.00 (# 35185.1 Unique )
&rst
ixpk= 35185, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 289, 290,
igr2= 297, 298,
&end
#
# 18 GLN QB 22 LEU QB 6.00 (# 35189.1 Unique )
&rst
ixpk= 35189, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 289, 290,
igr2= 346, 347,
&end
#
# 18 GLN QB 15 ALA HA 4.50 (# 35221.1 Unique; orig = 3.80 )
&rst
ixpk= 35221, nxpk= 0, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 289, 290,
&end
#
# 18 GLN QB 19 GLU HA 4.80 (# 35229.1 Unique )
&rst
ixpk= 35229, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 289, 290,
&end
#
# 18 GLN QB 19 GLU HN 3.50 (# 35238.1 Unique; orig = 2.90 )
&rst
ixpk= 35238, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 289, 290,
&end
#
# 18 GLN QB 18 GLN HN 4.50 (# 35242.1 Unique; orig = 3.10 )
&rst
ixpk= 35242, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 289, 290,
&end
#
# 19 GLU HA 0 AMB m:35254 2.70 (# 35254.1 Single Ambig [QB 19 QG 19] )
&rst
ixpk= 35254, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 306, 307, 309, 310,
&end
#
# 19 GLU QB 18 GLN HN 6.00 (# 35259.1 Unique )
&rst
ixpk= 35259, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 306, 307,
&end
#
# 19 GLU QB 0 AMB m:35263 6.00 (# 35263.1 Single Ambig [HN 21 HN 22] )
&rst
ixpk= 35263, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 306, 307,
igr2= 332, 342,
&end
#
# 21 ALA HA 20 GLU QB 6.00 (# 35280.1 Unique )
&rst
ixpk= 35280, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 321, 322,
&end
#
# 21 ALA HA 20 GLU HA 5.00 (# 35284.1 Unique )
&rst
ixpk= 35284, nxpk= 0, iat= 334, 319, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 ALA HA 24 LEU HN 4.30 (# 35294.1 Unique )
&rst
ixpk= 35294, nxpk= 0, iat= 334, 385, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 95 ALA HA 0 AMB m:35297 3.30 (# 35297.1 Single Ambig [HN 95 HN 96] )
&rst
ixpk= 35297, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1481,1491,
&end
#
# 21 ALA MB 18 GLN HN 6.00 (# 35310.1 Unique )
&rst
ixpk= 35310, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 336, 337, 338,
&end
#
# 22 LEU HA 22 LEU HN 3.10 (# 35345.1 Unique )
&rst
ixpk= 35345, nxpk= 0, iat= 344, 342, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 22 LEU MD1 18 GLN QE2 5.60 (# 35348.1 Unique )
&rst
ixpk= 35348, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 351, 352, 353,
igr2= 297, 298,
&end
#
# 22 LEU MD2 22 LEU HN 3.60 (# 35371.1 Unique )
&rst
ixpk= 35371, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 355, 356, 357,
&end
#
# 23 ARG QB 0 AMB m:35409 6.00 (# 35409.1 Single Ambig [MD1 24 MD2 24] )
&rst
ixpk= 35409, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 365, 366,
igr2= 394, 395, 396, 398, 399, 400,
&end
#
# 23 ARG QB 20 GLU HA 5.80 (# 35429.1 Unique )
&rst
ixpk= 35429, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 365, 366,
&end
#
# 23 ARG QB 23 ARG HA 5.80 (# 35433.1 Unique )
&rst
ixpk= 35433, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 365, 366,
&end
#
# 0 AMB m:35460a 0 AMB m:35460b 4.30 (# 35460.1 Double Ambig [HA 98 HA 24] [HN 99 HN 25] )
&rst
ixpk= 35460, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1539, 387,
igr2=1556, 404,
&end
#
# 142 LEU QB 139 LEU HA 5.20 (# 35479.1 Unique )
&rst
ixpk= 35479, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=2225,2226,
&end
#
# 0 AMB m:35483 37 GLY HN 5.60 (# 35483.1 Single Ambig [MD2 36 MD1 36] )
&rst
ixpk= 35483, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 579, 580, 581, 575, 576, 577,
&end
#
# 26 HIS HA 26 HIS HD2 4.50 (# 35498.1 Unique; orig = 3.80 )
&rst
ixpk= 35498, nxpk= 0, iat= 413, 424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 ASN QB 27 ASN QD2 4.80 (# 35521.1 Unique )
&rst
ixpk= 35521, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 432, 433,
igr2= 437, 438,
&end
#
# 27 ASN QB 79 HIS HN 5.20 (# 35525.1 Unique )
&rst
ixpk= 35525, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 432, 433,
&end
#
# 28 ASN HA 29 ILE QG1 6.00 (# 35538.1 Unique )
&rst
ixpk= 35538, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 466, 467,
&end
#
# 28 ASN HA 78 ILE MG2 3.50 (# 35542.1 Unique )
&rst
ixpk= 35542, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1200,1201,1202,
&end
#
# 28 ASN HA 29 ILE HA 5.20 (# 35545.1 Unique )
&rst
ixpk= 35545, nxpk= 0, iat= 444, 458, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 28 ASN HA 80 TYR HA 5.80 (# 35554.1 Unique )
&rst
ixpk= 35554, nxpk= 0, iat= 444,1232, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 28 ASN QB 29 ILE QG1 6.00 (# 35557.1 Unique )
&rst
ixpk= 35557, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 446, 447,
igr2= 466, 467,
&end
#
# 28 ASN QB 79 HIS HA 6.00 (# 35567.1 Unique )
&rst
ixpk= 35567, nxpk= 0, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 446, 447,
&end
#
# 29 ILE HA 29 ILE QG1 3.30 (# 35575.1 Unique )
&rst
ixpk= 35575, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 466, 467,
&end
#
# 29 ILE HA 0 AMB m:35582 3.30 (# 35582.1 Single Ambig [HN 30 MG2 29] )
&rst
ixpk= 35582, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 475, 462, 463, 464,
&end
#
# 29 ILE HA 84 ALA MB 6.00 (# 35589.1 Unique )
&rst
ixpk= 35589, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1307,1308,1309,
&end
#
# 29 ILE HA 30 GLY QA 6.00 (# 35596.1 Unique )
&rst
ixpk= 35596, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 477, 478,
&end
#
# 29 ILE HA 29 ILE HN 3.80 (# 35600.1 Unique )
&rst
ixpk= 35600, nxpk= 0, iat= 458, 456, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 29 ILE HB 80 TYR QB 6.00 (# 35619.1 Unique )
&rst
ixpk= 35619, nxpk= 0, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1234,1235,
&end
#
# 29 ILE QG1 33 HIS QB 4.90 (# 35654.1 Unique )
&rst
ixpk= 35654, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 466, 467,
igr2= 515, 516,
&end
#
# 29 ILE QG1 0 AMB m:35659 6.00 (# 35659.1 Single Ambig [HA 80 QA 30] )
&rst
ixpk= 35659, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 466, 467,
igr2=1232, 477, 478,
&end
#
# 29 ILE QG1 22 LEU HN 6.00 (# 35669.1 Unique )
&rst
ixpk= 35669, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 466, 467,
&end
#
# 29 ILE QG1 80 TYR HD 6.00 (# 35673.1 Unique )
&rst
ixpk= 35673, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 466, 467,
igr2=1238,1247,
&end
#
# 29 ILE QG1 28 ASN HN 6.00 (# 35677.1 Unique )
&rst
ixpk= 35677, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 466, 467,
&end
#
# 29 ILE QG1 80 TYR HE 6.00 (# 35681.1 Unique )
&rst
ixpk= 35681, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 466, 467,
igr2=1240,1245,
&end
#
# 29 ILE MD 14 LEU HG 6.00 (# 35695.1 Unique )
&rst
ixpk= 35695, nxpk= 0, iat= -1, 234, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 469, 470, 471,
&end
#
# 29 ILE MD 18 GLN QB 2.80 (# 35701.1 Unique )
&rst
ixpk= 35701, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 469, 470, 471,
igr2= 289, 290,
&end
#
# 29 ILE MD 78 ILE HA 6.00 (# 35719.1 Unique )
&rst
ixpk= 35719, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 469, 470, 471,
&end
#
# 29 ILE MD 28 ASN HA 6.00 (# 35722.1 Unique )
&rst
ixpk= 35722, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 469, 470, 471,
&end
#
# 29 ILE MD 17 ALA HN 6.00 (# 35728.1 Unique )
&rst
ixpk= 35728, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 469, 470, 471,
&end
#
# 29 ILE MD 0 AMB m:35737 6.00 (# 35737.1 Single Ambig [HN 21 HN 22] )
&rst
ixpk= 35737, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 469, 470, 471,
igr2= 332, 342,
&end
#
# 29 ILE MD 18 GLN HN 3.40 (# 35744.1 Unique )
&rst
ixpk= 35744, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 469, 470, 471,
&end
#
# 29 ILE MG2 17 ALA HN 6.00 (# 35762.1 Unique )
&rst
ixpk= 35762, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 462, 463, 464,
&end
#
# 29 ILE MG2 31 THR HN 6.00 (# 35768.1 Unique )
&rst
ixpk= 35768, nxpk= 0, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 462, 463, 464,
&end
#
# 29 ILE MG2 35 LEU HN 6.00 (# 35771.1 Unique )
&rst
ixpk= 35771, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 462, 463, 464,
&end
#
# 29 ILE MG2 34 ILE HN 4.70 (# 35777.1 Unique )
&rst
ixpk= 35777, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 462, 463, 464,
&end
#
# 29 ILE MG2 0 AMB m:35789 4.30 (# 35789.1 Single Ambig [HA 80 QA 30] )
&rst
ixpk= 35789, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 462, 463, 464,
igr2=1232, 477, 478,
&end
#
# 29 ILE MG2 28 ASN HA 6.00 (# 35794.1 Unique )
&rst
ixpk= 35794, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 462, 463, 464,
&end
#
# 32 GLU HA 32 GLU HN 3.40 (# 35808.1 Unique )
&rst
ixpk= 35808, nxpk= 0, iat= 498, 496, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 124 LEU HA 124 LEU HG 3.50 (# 35811.1 Unique )
&rst
ixpk= 35811, nxpk= 0, iat=1929,1934, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 GLU HA 35 LEU HN 3.60 (# 35814.1 Unique )
&rst
ixpk= 35814, nxpk= 0, iat= 498, 547, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 32 GLU HA 34 ILE HN 5.20 (# 35817.1 Unique )
&rst
ixpk= 35817, nxpk= 0, iat= 498, 528, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 32 GLU QG 68 ILE MD 2.70 (# 35832.1 Unique )
&rst
ixpk= 35832, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 503, 504,
igr2=1059,1060,1061,
&end
#
# 32 GLU QG 33 HIS HN 2.20 (# 35850.1 Unique )
&rst
ixpk= 35850, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
igr1= 503, 504,
&end
#
# 32 GLU QG 34 ILE HN 6.00 (# 35854.1 Unique )
&rst
ixpk= 35854, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 503, 504,
&end
#
# 35 LEU HG 0 AMB m:35864 4.10 (# 35864.1 Single Ambig [HA 35 HA 36] )
&rst
ixpk= 35864, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 549, 568,
&end
#
# 36 LEU HA 36 LEU QB 2.80 (# 35868.1 Unique )
&rst
ixpk= 35868, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 570, 571,
&end
#
# 36 LEU HA 37 GLY HN 4.50 (# 35880.1 Unique )
&rst
ixpk= 35880, nxpk= 0, iat= 568, 585, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 109 LEU HG 109 LEU QB 3.10 (# 35910.1 Unique )
&rst
ixpk= 35910, nxpk= 0, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1704,1705,
&end
#
# 0 AMB m:35914 61 GLN QE2 5.20 (# 35914.1 Single Ambig [MD1 36 MD2 36] )
&rst
ixpk= 35914, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 575, 576, 577, 579, 580, 581,
igr2= 943, 944,
&end
#
# 38 LEU HA 39 VAL HN 3.90 (# 35940.1 Unique )
&rst
ixpk= 35940, nxpk= 0, iat= 594, 611, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 38 LEU QB 0 AMB m:35951 6.00 (# 35951.1 Single Ambig [HN 36 HN 41] )
&rst
ixpk= 35951, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 596, 597,
igr2= 566, 651,
&end
#
# 38 LEU HG 105 THR HB 6.00 (# 35976.1 Unique )
&rst
ixpk= 35976, nxpk= 0, iat= 599,1639, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 LEU HG 38 LEU HA 3.80 (# 35979.1 Unique )
&rst
ixpk= 35979, nxpk= 0, iat= 599, 594, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 38 LEU MD2 0 AMB m:35988 5.40 (# 35988.1 Single Ambig [HN 38 HN 105] )
&rst
ixpk= 35988, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 605, 606, 607,
igr2= 592,1635,
&end
#
# 38 LEU MD1 111 GLY HN 6.00 (# 36016.1 Unique )
&rst
ixpk= 36016, nxpk= 0, iat= -1,1738, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 601, 602, 603,
&end
#
# 39 VAL MG1 51 GLN QE2 5.00 (# 36052.1 Unique )
&rst
ixpk= 36052, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 617, 618, 619,
igr2= 797, 798,
&end
#
# 39 VAL MG1 56 GLY QA 6.00 (# 36062.1 Unique )
&rst
ixpk= 36062, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 617, 618, 619,
igr2= 859, 860,
&end
#
# 39 VAL MG1 60 ILE MD 2.20 (# 36066.1 Unique )
&rst
ixpk= 36066, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1= 617, 618, 619,
igr2= 925, 926, 927,
&end
#
# 39 VAL MG2 61 GLN QE2 6.00 (# 36087.1 Unique )
&rst
ixpk= 36087, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 621, 622, 623,
igr2= 943, 944,
&end
#
# 39 VAL MG2 42 GLY HN 6.00 (# 36090.1 Unique )
&rst
ixpk= 36090, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
&end
#
# 39 VAL MG2 41 GLU HN 6.00 (# 36105.1 Unique )
&rst
ixpk= 36105, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
&end
#
# 39 VAL MG2 40 ARG QB 6.00 (# 36114.1 Unique )
&rst
ixpk= 36114, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 621, 622, 623,
igr2= 631, 632,
&end
#
# 39 VAL MG2 60 ILE HA 6.00 (# 36118.1 Unique )
&rst
ixpk= 36118, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
&end
#
# 39 VAL MG2 56 GLY QA 6.00 (# 36121.1 Unique )
&rst
ixpk= 36121, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 621, 622, 623,
igr2= 859, 860,
&end
#
# 40 ARG QB 40 ARG HN 6.00 (# 36125.1 Unique )
&rst
ixpk= 36125, nxpk= 0, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 631, 632,
&end
#
# 40 ARG QB 40 ARG HE 5.20 (# 36151.1 Unique )
&rst
ixpk= 36151, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 631, 632,
&end
#
# 40 ARG QB 40 ARG QB 2.80 (# 36159.1 Unique )
#This appears to be self-referential: ignoring
#
# 40 ARG QB 41 GLU HN 3.80 (# 36165.1 Unique )
&rst
ixpk= 36165, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 631, 632,
&end
#
# 40 ARG QB 40 ARG QB 3.10 (# 36173.1 Unique )
#This appears to be self-referential: ignoring
#
# 40 ARG QB 0 AMB m:36179 3.90 (# 36179.1 Single Ambig [MD1 16 MD2 16] )
&rst
ixpk= 36179, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 631, 632,
igr2= 265, 266, 267, 269, 270, 271,
&end
#
# 40 ARG QB 16 LEU QB 4.80 (# 36192.1 Unique )
&rst
ixpk= 36192, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 631, 632,
igr2= 260, 261,
&end
#
# 40 ARG QB 40 ARG QB 2.80 (# 36198.1 Unique )
#This appears to be self-referential: ignoring
#
# 41 GLU QG 41 GLU QB 2.90 (# 36223.1 Unique )
&rst
ixpk= 36223, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 658, 659,
igr2= 655, 656,
&end
#
# 45 ILE HA 48 LYS QB 3.40 (# 36258.1 Unique )
&rst
ixpk= 36258, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 738, 739,
&end
#
# 45 ILE HA 0 AMB m:36262 3.10 (# 36262.1 Single Ambig [HB 45 QB 48] )
&rst
ixpk= 36262, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 699, 738, 739,
&end
#
# 45 ILE HA 141 LEU QB 6.00 (# 36267.1 Unique )
&rst
ixpk= 36267, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2206,2207,
&end
#
# 45 ILE HA 46 ALA MB 6.00 (# 36275.1 Unique )
&rst
ixpk= 36275, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 718, 719, 720,
&end
#
# 45 ILE HB 48 LYS HN 6.00 (# 36293.1 Unique )
&rst
ixpk= 36293, nxpk= 0, iat= 699, 734, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 ILE HB 44 GLY QA 6.00 (# 36296.1 Unique )
&rst
ixpk= 36296, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 690, 691,
&end
#
# 78 ILE QG1 18 GLN QB 6.00 (# 36311.1 Unique )
&rst
ixpk= 36311, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1204,1205,
igr2= 289, 290,
&end
#
# 78 ILE QG1 78 ILE HB 2.90 (# 36323.1 Unique )
&rst
ixpk= 36323, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=1204,1205,
&end
#
# 78 ILE QG1 18 GLN QE2 6.00 (# 36335.1 Unique )
&rst
ixpk= 36335, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1204,1205,
igr2= 297, 298,
&end
#
# 45 ILE MG2 107 HIS HN 6.00 (# 36345.1 Unique )
&rst
ixpk= 36345, nxpk= 0, iat= -1,1664, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 701, 702, 703,
&end
#
# 45 ILE MG2 142 LEU HA 3.10 (# 36364.1 Unique )
&rst
ixpk= 36364, nxpk= 0, iat= -1,2223, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 701, 702, 703,
&end
#
# 45 ILE MG2 46 ALA MB 4.80 (# 36370.1 Unique )
&rst
ixpk= 36370, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 701, 702, 703,
igr2= 718, 719, 720,
&end
#
# 45 ILE MD 142 LEU HA 3.10 (# 36373.1 Unique )
&rst
ixpk= 36373, nxpk= 0, iat= -1,2223, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 708, 709, 710,
&end
#
# 45 ILE MD 48 LYS QB 5.20 (# 36380.1 Unique )
&rst
ixpk= 36380, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 708, 709, 710,
igr2= 738, 739,
&end
#
# 45 ILE MD 0 AMB m:36398 5.60 (# 36398.1 Single Ambig [HN 143 HN 141] )
&rst
ixpk= 36398, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 708, 709, 710,
igr2=2240,2202,
&end
#
# 46 ALA MB 48 LYS HN 6.00 (# 36411.1 Unique )
&rst
ixpk= 36411, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 718, 719, 720,
&end
#
# 46 ALA MB 38 LEU HA 6.00 (# 36420.1 Unique )
&rst
ixpk= 36420, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 718, 719, 720,
&end
#
# 46 ALA MB 50 LEU MD1 4.30 (# 36426.1 Unique )
&rst
ixpk= 36426, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 718, 719, 720,
igr2= 775, 776, 777,
&end
#
# 46 ALA MB 109 LEU QB 3.10 (# 36429.1 Unique )
&rst
ixpk= 36429, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 718, 719, 720,
igr2=1704,1705,
&end
#
# 48 LYS QB 48 LYS HA 6.00 (# 36445.1 Unique )
&rst
ixpk= 36445, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 738, 739,
&end
#
# 59 LYS QB 59 LYS HA 5.10 (# 36449.1 Unique )
&rst
ixpk= 36449, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 894, 895,
&end
#
# 133 LYS QB 133 LYS HA 3.80 (# 36459.1 Unique )
&rst
ixpk= 36459, nxpk= 0, iat= -1,2062, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=2064,2065,
&end
#
# 48 LYS QB 48 LYS QB 3.60 (# 36473.1 Unique )
#This appears to be self-referential: ignoring
#
# 48 LYS QB 48 LYS QB 3.30 (# 36482.1 Unique )
#This appears to be self-referential: ignoring
#
# 68 ILE QG1 119 VAL MG2 6.00 (# 36488.1 Unique )
&rst
ixpk= 36488, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1056,1057,
igr2=1861,1862,1863,
&end
#
# 49 ALA HA 137 GLN QE2 4.70 (# 36518.1 Unique )
&rst
ixpk= 36518, nxpk= 0, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2145,2146,
&end
#
# 49 ALA MB 138 VAL HN 5.20 (# 36521.1 Unique )
&rst
ixpk= 36521, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 760, 761, 762,
&end
#
# 49 ALA MB 141 LEU QB 3.90 (# 36548.1 Unique )
&rst
ixpk= 36548, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 760, 761, 762,
igr2=2206,2207,
&end
#
# 49 ALA MB 142 LEU QB 5.60 (# 36552.1 Unique )
&rst
ixpk= 36552, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 760, 761, 762,
igr2=2225,2226,
&end
#
# 50 LEU QB 0 AMB m:36568 3.30 (# 36568.1 Single Ambig [MD1 50 MD2 50] )
&rst
ixpk= 36568, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 770, 771,
igr2= 775, 776, 777, 779, 780, 781,
&end
#
# 50 LEU HA 50 LEU HN 3.40 (# 36578.1 Unique )
&rst
ixpk= 36578, nxpk= 0, iat= 768, 766, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 50 LEU HA 52 ALA HN 5.40 (# 36584.1 Unique )
&rst
ixpk= 36584, nxpk= 0, iat= 768, 802, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 110 LEU MD2 110 LEU HN 3.30 (# 36590.1 Unique )
&rst
ixpk= 36590, nxpk= 0, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1732,1733,1734,
&end
#
# 110 LEU MD2 109 LEU HN 6.00 (# 36593.1 Unique )
&rst
ixpk= 36593, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1732,1733,1734,
&end
#
# 124 LEU MD1 121 ALA HN 5.80 (# 36617.1 Unique )
&rst
ixpk= 36617, nxpk= 0, iat= -1,1877, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1936,1937,1938,
&end
#
# 51 GLN HA 52 ALA HN 3.90 (# 36620.1 Unique )
&rst
ixpk= 36620, nxpk= 0, iat= 787, 802, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 53 LEU HA 53 LEU MD1 5.00 (# 36636.1 Unique )
&rst
ixpk= 36636, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 821, 822, 823,
&end
#
# 53 LEU HA 137 GLN QB 6.00 (# 36639.1 Unique )
&rst
ixpk= 36639, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2137,2138,
&end
#
# 0 AMB m:36659 40 ARG QB 6.00 (# 36659.1 Single Ambig [HG 16 HG 36] )
&rst
ixpk= 36659, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 263, 573,
igr2= 631, 632,
&end
#
# 53 LEU HG 50 LEU HA 5.10 (# 36667.1 Unique )
&rst
ixpk= 36667, nxpk= 0, iat= 819, 768, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 53 LEU MD1 50 LEU HN 6.00 (# 36676.1 Unique; orig = 4.10 )
&rst
ixpk= 36676, nxpk= 0, iat= -1, 766, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 821, 822, 823,
&end
#
# 53 LEU MD1 137 GLN QE2 6.00 (# 36682.1 Unique )
&rst
ixpk= 36682, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 821, 822, 823,
igr2=2145,2146,
&end
#
# 53 LEU MD1 137 GLN QB 3.40 (# 36692.1 Unique )
&rst
ixpk= 36692, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 821, 822, 823,
igr2=2137,2138,
&end
#
# 55 LEU HA 55 LEU QB 3.00 (# 36703.1 Unique )
&rst
ixpk= 36703, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 842, 843,
&end
#
# 55 LEU QB 56 GLY QA 6.00 (# 36714.1 Unique )
&rst
ixpk= 36714, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 842, 843,
igr2= 859, 860,
&end
#
# 55 LEU QB 55 LEU HG 3.50 (# 36720.1 Unique )
&rst
ixpk= 36720, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 842, 843,
&end
#
# 55 LEU QB 0 AMB m:36728 3.30 (# 36728.1 Single Ambig [MD1 55 MD2 55] )
&rst
ixpk= 36728, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 842, 843,
igr2= 847, 848, 849, 851, 852, 853,
&end
#
# 55 LEU MD2 56 GLY HN 5.40 (# 36742.1 Unique )
&rst
ixpk= 36742, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 851, 852, 853,
&end
#
# 55 LEU MD2 59 LYS QB 5.40 (# 36745.1 Unique )
&rst
ixpk= 36745, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 851, 852, 853,
igr2= 894, 895,
&end
#
# 55 LEU MD2 54 GLY QA 4.20 (# 36749.1 Unique )
&rst
ixpk= 36749, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 851, 852, 853,
igr2= 833, 834,
&end
#
# 55 LEU MD1 128 GLY HN 6.00 (# 36766.1 Unique )
&rst
ixpk= 36766, nxpk= 0, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 847, 848, 849,
&end
#
# 57 SER HA 58 GLU HN 4.50 (# 36772.1 Unique; orig = 3.30 )
&rst
ixpk= 36772, nxpk= 0, iat= 866, 875, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 GLU HA 57 SER HA 6.00 (# 36796.1 Unique; orig = 4.50 )
&rst
ixpk= 36796, nxpk= 0, iat= 877, 866, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 58 GLU HA 61 GLN HA 6.00 (# 36799.1 Unique )
&rst
ixpk= 36799, nxpk= 0, iat= 877, 933, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 58 GLU QG 59 LYS HN 4.30 (# 36814.1 Unique )
&rst
ixpk= 36814, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 882, 883,
&end
#
# 58 GLU QG 0 AMB m:36818 6.00 (# 36818.1 Single Ambig [HN 57 HN 61] )
&rst
ixpk= 36818, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 882, 883,
igr2= 864, 931,
&end
#
# 58 GLU QG 62 LYS QB 6.00 (# 36828.1 Unique )
&rst
ixpk= 36828, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 882, 883,
igr2= 952, 953,
&end
#
# 58 GLU QG 62 LYS QB 4.70 (# 36834.1 Unique )
&rst
ixpk= 36834, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 882, 883,
igr2= 952, 953,
&end
#
# 58 GLU QG 62 LYS QB 6.00 (# 36839.1 Unique )
&rst
ixpk= 36839, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 882, 883,
igr2= 952, 953,
&end
#
# 60 ILE HA 62 LYS HN 5.40 (# 36855.1 Unique )
&rst
ixpk= 36855, nxpk= 0, iat= 914, 948, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 60 ILE HA 61 GLN HA 6.00 (# 36864.1 Unique )
&rst
ixpk= 36864, nxpk= 0, iat= 914, 933, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 ILE HB 62 LYS HN 6.00 (# 36888.1 Unique )
&rst
ixpk= 36888, nxpk= 0, iat= 916, 948, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 ILE QG1 62 LYS HN 6.00 (# 36894.1 Unique )
&rst
ixpk= 36894, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 922, 923,
&end
#
# 60 ILE MG2 60 ILE HN 4.60 (# 36929.1 Unique )
&rst
ixpk= 36929, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 918, 919, 920,
&end
#
# 60 ILE MD 60 ILE HN 3.50 (# 36936.1 Unique; orig = 2.80 )
&rst
ixpk= 36936, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 925, 926, 927,
&end
#
# 78 ILE MD 18 GLN QE2 6.00 (# 36939.1 Unique )
&rst
ixpk= 36939, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1207,1208,1209,
igr2= 297, 298,
&end
#
# 60 ILE MD 57 SER HA 3.50 (# 36945.1 Unique; orig = 2.90 )
&rst
ixpk= 36945, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 925, 926, 927,
&end
#
# 60 ILE MD 56 GLY QA 4.50 (# 36948.1 Unique; orig = 3.80 )
&rst
ixpk= 36948, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 925, 926, 927,
igr2= 859, 860,
&end
#
# 78 ILE MD 78 ILE HA 4.50 (# 36951.1 Unique; orig = 3.30 )
&rst
ixpk= 36951, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1207,1208,1209,
&end
#
# 78 ILE MD 28 ASN HA 6.00 (# 36957.1 Unique )
&rst
ixpk= 36957, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1207,1208,1209,
&end
#
# 60 ILE MD 55 LEU QB 2.80 (# 36963.1 Unique )
&rst
ixpk= 36963, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 925, 926, 927,
igr2= 842, 843,
&end
#
# 61 GLN HA 63 GLU HN 4.80 (# 36977.1 Unique )
&rst
ixpk= 36977, nxpk= 0, iat= 933, 970, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 61 GLN HA 61 GLN QE2 5.60 (# 36980.1 Unique )
&rst
ixpk= 36980, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 943, 944,
&end
#
# 61 GLN HA 60 ILE HN 6.00 (# 36983.1 Unique )
&rst
ixpk= 36983, nxpk= 0, iat= 933, 912, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 61 GLN HA 62 LYS HN 3.90 (# 36986.1 Unique )
&rst
ixpk= 36986, nxpk= 0, iat= 933, 948, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 61 GLN QB 63 GLU HN 6.00 (# 36993.1 Unique )
&rst
ixpk= 36993, nxpk= 0, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 935, 936,
&end
#
# 61 GLN QB 61 GLN HN 2.90 (# 37005.1 Unique )
&rst
ixpk= 37005, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 935, 936,
&end
#
# 61 GLN QB 61 GLN QE2 3.10 (# 37013.1 Unique )
&rst
ixpk= 37013, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 935, 936,
igr2= 943, 944,
&end
#
# 61 GLN QB 61 GLN QE2 5.10 (# 37017.1 Unique )
&rst
ixpk= 37017, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 935, 936,
igr2= 943, 944,
&end
#
# 61 GLN QB 60 ILE HN 6.00 (# 37021.1 Unique )
&rst
ixpk= 37021, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 935, 936,
&end
#
# 61 GLN QB 0 AMB m:37025 6.00 (# 37025.1 Single Ambig [HN 64 HN 65] )
&rst
ixpk= 37025, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 935, 936,
igr2= 985,1001,
&end
#
# 61 GLN QB 57 SER HA 4.90 (# 37031.1 Unique )
&rst
ixpk= 37031, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 935, 936,
&end
#
# 61 GLN QB 57 SER QB 4.70 (# 37035.1 Unique )
&rst
ixpk= 37035, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 935, 936,
igr2= 868, 869,
&end
#
# 61 GLN QB 58 GLU HA 4.10 (# 37039.1 Unique )
&rst
ixpk= 37039, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 935, 936,
&end
#
# 61 GLN QB 0 AMB m:37047 4.80 (# 37047.1 Single Ambig [MD1 36 MD2 36 QG1 60] )
&rst
ixpk= 37047, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,
igr1= 935, 936,
igr2= 575, 576, 577, 579, 580, 581, 922, 923,
&end
#
# 63 GLU QB 127 LEU HN 6.00 (# 37070.1 Unique )
&rst
ixpk= 37070, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 974, 975,
&end
#
# 63 GLU QG 62 LYS HN 6.00 (# 37086.1 Unique )
&rst
ixpk= 37086, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 977, 978,
&end
#
# 115 GLU QG 115 GLU QB 3.10 (# 37094.1 Unique )
&rst
ixpk= 37094, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1814,1815,
igr2=1811,1812,
&end
#
# 131 LEU MD2 114 ARG HN 3.90 (# 37112.1 Unique )
&rst
ixpk= 37112, nxpk= 0, iat= -1,1783, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=2040,2041,2042,
&end
#
# 64 VAL MG2 63 GLU HN 4.80 (# 37115.1 Unique )
&rst
ixpk= 37115, nxpk= 0, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 995, 996, 997,
&end
#
# 64 VAL MG2 61 GLN HA 3.90 (# 37118.1 Unique )
&rst
ixpk= 37118, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 995, 996, 997,
&end
#
# 64 VAL MG1 64 VAL HB 2.20 (# 37121.1 Unique )
&rst
ixpk= 37121, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr1= 991, 992, 993,
&end
#
# 66 SER QB 67 LEU HA 6.00 (# 37124.1 Unique )
&rst
ixpk= 37124, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1020,1021,
&end
#
# 66 SER HA 68 ILE HN 5.40 (# 37142.1 Unique )
&rst
ixpk= 37142, nxpk= 0, iat=1018,1046, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 66 SER HA 67 LEU HA 5.40 (# 37145.1 Unique )
&rst
ixpk= 37145, nxpk= 0, iat=1018,1029, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 68 ILE HA 67 LEU QB 5.40 (# 37158.1 Unique )
&rst
ixpk= 37158, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1031,1032,
&end
#
# 68 ILE HB 68 ILE QG1 2.90 (# 37184.1 Unique )
&rst
ixpk= 37184, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1056,1057,
&end
#
# 68 ILE HB 32 GLU QG 5.20 (# 37188.1 Unique )
&rst
ixpk= 37188, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 503, 504,
&end
#
# 68 ILE QG1 64 VAL HA 6.00 (# 37204.1 Unique )
&rst
ixpk= 37204, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1056,1057,
&end
#
# 68 ILE MG2 119 VAL HN 6.00 (# 37220.1 Unique )
&rst
ixpk= 37220, nxpk= 0, iat= -1,1851, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1052,1053,1054,
&end
#
# 68 ILE MG2 33 HIS HN 6.00 (# 37229.1 Unique )
&rst
ixpk= 37229, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1052,1053,1054,
&end
#
# 68 ILE MD 65 GLU HN 5.80 (# 37236.1 Unique )
&rst
ixpk= 37236, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1059,1060,1061,
&end
#
# 68 ILE MD 33 HIS HN 6.00 (# 37242.1 Unique )
&rst
ixpk= 37242, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1059,1060,1061,
&end
#
# 68 ILE MD 68 ILE HN 4.80 (# 37245.1 Unique )
&rst
ixpk= 37245, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1059,1060,1061,
&end
#
# 68 ILE MD 33 HIS HE1 3.10 (# 37248.1 Unique )
&rst
ixpk= 37248, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1=1059,1060,1061,
&end
#
# 68 ILE MD 64 VAL HA 5.80 (# 37251.1 Unique )
&rst
ixpk= 37251, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1059,1060,1061,
&end
#
# 68 ILE MD 65 GLU QG 5.80 (# 37254.1 Unique )
&rst
ixpk= 37254, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1059,1060,1061,
igr2=1008,1009,
&end
#
# 68 ILE MD 32 GLU QB 2.50 (# 37258.1 Unique )
&rst
ixpk= 37258, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1059,1060,1061,
igr2= 500, 501,
&end
#
# 70 ARG QB 70 ARG HE 5.60 (# 37291.1 Unique )
&rst
ixpk= 37291, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1076,1077,
&end
#
# 72 GLN QB 72 GLN QE2 3.00 (# 37311.1 Unique )
&rst
ixpk= 37311, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1107,1108,
igr2=1115,1116,
&end
#
# 72 GLN QB 72 GLN QE2 4.50 (# 37315.1 Unique )
&rst
ixpk= 37315, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1107,1108,
igr2=1115,1116,
&end
#
# 75 SER HA 75 SER HN 3.00 (# 37322.1 Unique )
&rst
ixpk= 37322, nxpk= 0, iat=1154,1152, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 75 SER QB 74 MET QB 6.00 (# 37329.1 Unique )
&rst
ixpk= 37329, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1156,1157,
igr2=1139,1140,
&end
#
# 77 THR HA 77 THR HN 3.10 (# 37341.1 Unique )
&rst
ixpk= 37341, nxpk= 0, iat=1182,1180, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 77 THR HA 78 ILE MD 4.50 (# 37347.1 Unique )
&rst
ixpk= 37347, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1207,1208,1209,
&end
#
# 77 THR MG2 18 GLN QE2 6.00 (# 37372.1 Unique )
&rst
ixpk= 37372, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1186,1187,1188,
igr2= 297, 298,
&end
#
# 78 ILE HA 78 ILE HB 2.90 (# 37398.1 Unique )
&rst
ixpk= 37398, nxpk= 0, iat=1196,1198, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 78 ILE HA 78 ILE QG1 3.50 (# 37401.1 Unique )
&rst
ixpk= 37401, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1204,1205,
&end
#
# 78 ILE HA 27 ASN QB 4.10 (# 37405.1 Unique )
&rst
ixpk= 37405, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 432, 433,
&end
#
# 78 ILE HB 29 ILE QG1 6.00 (# 37421.1 Unique )
&rst
ixpk= 37421, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 466, 467,
&end
#
# 78 ILE HB 21 ALA MB 6.00 (# 37425.1 Unique )
&rst
ixpk= 37425, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 336, 337, 338,
&end
#
# 78 ILE HB 18 GLN QB 6.00 (# 37428.1 Unique )
&rst
ixpk= 37428, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 289, 290,
&end
#
# 78 ILE MG2 29 ILE HN 3.90 (# 37435.1 Unique )
&rst
ixpk= 37435, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1200,1201,1202,
&end
#
# 78 ILE MG2 18 GLN QE2 6.00 (# 37447.1 Unique )
&rst
ixpk= 37447, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1200,1201,1202,
igr2= 297, 298,
&end
#
# 78 ILE MG2 18 GLN HN 6.00 (# 37456.1 Unique )
&rst
ixpk= 37456, nxpk= 0, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1200,1201,1202,
&end
#
# 78 ILE MG2 27 ASN HA 6.00 (# 37459.1 Unique )
&rst
ixpk= 37459, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1200,1201,1202,
&end
#
# 78 ILE MG2 78 ILE QG1 2.80 (# 37469.1 Unique )
&rst
ixpk= 37469, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1200,1201,1202,
igr2=1204,1205,
&end
#
# 78 ILE MG2 18 GLN QB 4.40 (# 37473.1 Unique )
&rst
ixpk= 37473, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1200,1201,1202,
igr2= 289, 290,
&end
#
# 78 ILE MD 18 GLN QE2 4.80 (# 37480.1 Unique )
&rst
ixpk= 37480, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1207,1208,1209,
igr2= 297, 298,
&end
#
# 79 HIS QB 28 ASN HA 6.00 (# 37486.1 Unique )
&rst
ixpk= 37486, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1217,1218,
&end
#
# 79 HIS QB 78 ILE HA 6.00 (# 37490.1 Unique )
&rst
ixpk= 37490, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1217,1218,
&end
#
# 79 HIS QB 78 ILE MG2 6.00 (# 37494.1 Unique )
&rst
ixpk= 37494, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1217,1218,
igr2=1200,1201,1202,
&end
#
# 79 HIS QB 28 ASN QD2 6.00 (# 37506.1 Unique )
&rst
ixpk= 37506, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1217,1218,
igr2= 451, 452,
&end
#
# 79 HIS QB 79 HIS HD2 4.60 (# 37510.1 Unique )
&rst
ixpk= 37510, nxpk= 0, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1217,1218,
&end
#
# 79 HIS QB 80 TYR HD 6.00 (# 37514.1 Unique )
&rst
ixpk= 37514, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1217,1218,
igr2=1238,1247,
&end
#
# 82 PRO HA 85 LYS QB 5.20 (# 37518.1 Unique )
&rst
ixpk= 37518, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1317,1318,
&end
#
# 82 PRO HA 83 ARG HN 5.00 (# 37545.1 Unique )
&rst
ixpk= 37545, nxpk= 0, iat=1275,1279, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 ARG QB 82 PRO QB 6.00 (# 37572.1 Unique; orig = 4.10 )
&rst
ixpk= 37572, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1283,1284,
igr2=1272,1273,
&end
#
# 83 ARG QB 83 ARG QB 4.10 (# 37575.1 Unique )
#This appears to be self-referential: ignoring
#
# 83 ARG QB 83 ARG QB 3.40 (# 37581.1 Unique )
#This appears to be self-referential: ignoring
#
# 83 ARG QB 31 THR HN 5.00 (# 37601.1 Unique )
&rst
ixpk= 37601, nxpk= 0, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1283,1284,
&end
#
# 10 ALA MB 105 THR HA 3.40 (# 37615.1 Unique )
&rst
ixpk= 37615, nxpk= 0, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 166, 167, 168,
&end
#
# 10 ALA MB 7 THR HB 6.00 (# 37625.1 Unique )
&rst
ixpk= 37625, nxpk= 0, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 166, 167, 168,
&end
#
# 10 ALA MB 0 AMB m:37631 4.30 (# 37631.1 Single Ambig [HG1 7 HG1 105] )
&rst
ixpk= 37631, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 166, 167, 168,
igr2= 119,1645,
&end
#
# 84 ALA MB 81 THR HB 4.50 (# 37635.1 Unique; orig = 3.40 )
&rst
ixpk= 37635, nxpk= 0, iat= -1,1255, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1307,1308,1309,
&end
#
# 84 ALA MB 88 ILE HN 5.60 (# 37647.1 Unique )
&rst
ixpk= 37647, nxpk= 0, iat= -1,1373, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1307,1308,1309,
&end
#
# 65 GLU HA 67 LEU HN 5.00 (# 37662.1 Unique )
&rst
ixpk= 37662, nxpk= 0, iat=1003,1027, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 GLU HA 68 ILE HN 5.00 (# 37665.1 Unique )
&rst
ixpk= 37665, nxpk= 0, iat=1003,1046, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 GLU HA 69 GLY QA 6.00 (# 37674.1 Unique )
&rst
ixpk= 37674, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1067,1068,
&end
#
# 65 GLU HA 68 ILE QG1 2.60 (# 37682.1 Unique )
&rst
ixpk= 37682, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2=1056,1057,
&end
#
# 90 LEU HA 92 MET HN 5.80 (# 37721.1 Unique )
&rst
ixpk= 37721, nxpk= 0, iat=1409,1437, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 90 LEU HA 89 GLU QB 5.20 (# 37731.1 Unique )
&rst
ixpk= 37731, nxpk= 0, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1396,1397,
&end
#
# 90 LEU QB 0 AMB m:37747 3.10 (# 37747.1 Single Ambig [MD2 90 MD1 90] )
&rst
ixpk= 37747, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1411,1412,
igr2=1420,1421,1422,1416,1417,1418,
&end
#
# 90 LEU MD2 90 LEU QB 3.10 (# 37766.1 Unique )
&rst
ixpk= 37766, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1420,1421,1422,
igr2=1411,1412,
&end
#
# 90 LEU MD2 90 LEU HG 2.50 (# 37770.1 Unique )
&rst
ixpk= 37770, nxpk= 0, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1420,1421,1422,
&end
#
# 90 LEU MD1 116 GLY HN 6.00 (# 37785.1 Unique )
&rst
ixpk= 37785, nxpk= 0, iat= -1,1822, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1416,1417,1418,
&end
#
# 95 ALA HA 107 HIS HD2 3.00 (# 37795.1 Unique )
&rst
ixpk= 37795, nxpk= 0, iat=1483,1677, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 95 ALA HA 94 GLU QB 6.00 (# 37804.1 Unique )
&rst
ixpk= 37804, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1470,1471,
&end
#
# 95 ALA HA 0 AMB m:37808 5.80 (# 37808.1 Single Ambig [HA 94 HA 92] )
&rst
ixpk= 37808, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1468,1439,
&end
#
# 95 ALA HA 0 AMB m:37812 6.00 (# 37812.1 Single Ambig [HA 96 QA 99] )
&rst
ixpk= 37812, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1493,1558,1559,
&end
#
# 0 AMB m:37821a 0 AMB m:37821b 5.10 (# 37821.1 Double Ambig [HA 21 HA 95] [MD1 24 MD1 98 MD2 98] )
&rst
ixpk= 37821, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.26, r4= 8.76,
igr1= 334,1483,
igr2= 394, 395, 396,1546,1547,1548,1550,1551,1552,
&end
#
# 95 ALA HA 103 VAL MG2 6.00 (# 37826.1 Unique )
&rst
ixpk= 37826, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1622,1623,1624,
&end
#
# 95 ALA HA 0 AMB m:37832 6.00 (# 37832.1 Single Ambig [QB 97 QB 96] )
&rst
ixpk= 37832, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1519,1520,1495,1496,
&end
#
# 95 ALA MB 107 HIS HN 6.00 (# 37841.1 Unique )
&rst
ixpk= 37841, nxpk= 0, iat= -1,1664, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1485,1486,1487,
&end
#
# 95 ALA MB 100 HIS HD2 6.00 (# 37844.1 Unique )
&rst
ixpk= 37844, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1485,1486,1487,
&end
#
# 95 ALA MB 0 AMB m:37847 5.80 (# 37847.1 Single Ambig [HE 3 HE 96] )
&rst
ixpk= 37847, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr1=1485,1486,1487,
igr2= 48, 52,1504,
&end
#
# 95 ALA MB 93 ASP HA 6.00 (# 37860.1 Unique )
&rst
ixpk= 37860, nxpk= 0, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1485,1486,1487,
&end
#
# 97 LYS QB 0 AMB m:37879 3.30 (# 37879.1 Single Ambig [HA 97 HA 94] )
&rst
ixpk= 37879, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1519,1520,
igr2=1517,1468,
&end
#
# 97 LYS QB 97 LYS QB 3.30 (# 37895.1 Unique )
#This appears to be self-referential: ignoring
#
# 97 LYS QB 97 LYS HN 3.90 (# 37901.1 Unique )
&rst
ixpk= 37901, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1519,1520,
&end
#
# 97 LYS QB 98 LEU HN 4.50 (# 37905.1 Unique; orig = 3.60 )
&rst
ixpk= 37905, nxpk= 0, iat= -1,1537, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1519,1520,
&end
#
# 97 LYS QB 97 LYS HN 5.60 (# 37919.1 Unique )
&rst
ixpk= 37919, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1519,1520,
&end
#
# 97 LYS QB 98 LEU HN 6.00 (# 37926.1 Unique; orig = 4.10 )
&rst
ixpk= 37926, nxpk= 0, iat= -1,1537, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1519,1520,
&end
#
# 97 LYS QB 0 AMB m:37934 4.50 (# 37934.1 Single Ambig [MD1 98 MD2 98]; orig = 3.10 )
&rst
ixpk= 37934, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1519,1520,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 97 LYS QB 96 ARG QB 6.00 (# 37945.1 Unique; orig = 3.10 )
&rst
ixpk= 37945, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1519,1520,
igr2=1495,1496,
&end
#
# 97 LYS QB 97 LYS QB 3.80 (# 37951.1 Unique )
#This appears to be self-referential: ignoring
#
# 109 LEU MD1 110 LEU HN 5.20 (# 37991.1 Unique )
&rst
ixpk= 37991, nxpk= 0, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1709,1710,1711,
&end
#
# 109 LEU MD1 109 LEU HN 5.40 (# 37994.1 Unique )
&rst
ixpk= 37994, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1709,1710,1711,
&end
#
# 0 AMB m:38001 97 LYS HN 4.50 (# 38001.1 Single Ambig [MD1 98 MD2 98]; orig = 3.60 )
&rst
ixpk= 38001, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1546,1547,1548,1550,1551,1552,
&end
#
# 101 SER HA 102 TYR HD 6.00 (# 38008.1 Unique )
&rst
ixpk= 38008, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1599,1608,
&end
#
# 101 SER HA 100 HIS QB 6.00 (# 38011.1 Unique )
&rst
ixpk= 38011, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1567,1568,
&end
#
# 102 TYR HA 102 TYR QB 3.10 (# 38015.1 Unique )
&rst
ixpk= 38015, nxpk= 0, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1595,1596,
&end
#
# 102 TYR HA 102 TYR HN 3.80 (# 38021.1 Unique )
&rst
ixpk= 38021, nxpk= 0, iat=1593,1591, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 106 GLU HA 46 ALA HN 4.40 (# 38024.1 Unique )
&rst
ixpk= 38024, nxpk= 0, iat=1651, 714, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 106 GLU HA 138 VAL MG1 2.60 (# 38036.1 Unique )
&rst
ixpk= 38036, nxpk= 0, iat=1651, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2=2156,2157,2158,
&end
#
# 106 GLU HA 138 VAL MG2 4.30 (# 38042.1 Unique )
&rst
ixpk= 38042, nxpk= 0, iat=1651, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2160,2161,2162,
&end
#
# 106 GLU HA 106 GLU QG 4.80 (# 38045.1 Unique )
&rst
ixpk= 38045, nxpk= 0, iat=1651, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1656,1657,
&end
#
# 106 GLU HA 138 VAL HB 6.00 (# 38049.1 Unique )
&rst
ixpk= 38049, nxpk= 0, iat=1651,2154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 LYS QB 48 LYS HA 3.80 (# 38074.1 Unique )
&rst
ixpk= 38074, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 738, 739,
&end
#
# 113 ILE HA 113 ILE HN 3.30 (# 38088.1 Unique )
&rst
ixpk= 38088, nxpk= 0, iat=1766,1764, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 113 ILE HA 114 ARG HN 4.50 (# 38094.1 Unique )
&rst
ixpk= 38094, nxpk= 0, iat=1766,1783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 113 ILE HB 134 ALA MB 6.00 (# 38103.1 Unique )
&rst
ixpk= 38103, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2086,2087,2088,
&end
#
# 113 ILE HB 121 ALA MB 6.00 (# 38106.1 Unique )
&rst
ixpk= 38106, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1881,1882,1883,
&end
#
# 113 ILE HB 112 LEU QB 6.00 (# 38109.1 Unique )
&rst
ixpk= 38109, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1749,1750,
&end
#
# 113 ILE HB 115 GLU HN 6.00 (# 38122.1 Unique )
&rst
ixpk= 38122, nxpk= 0, iat=1768,1807, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 113 ILE QG1 113 ILE MG2 3.80 (# 38143.1 Unique )
&rst
ixpk= 38143, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1774,1775,
igr2=1770,1771,1772,
&end
#
# 113 ILE QG1 114 ARG HN 6.00 (# 38147.1 Unique )
&rst
ixpk= 38147, nxpk= 0, iat= -1,1783, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1774,1775,
&end
#
# 113 ILE QG1 112 LEU HN 6.00 (# 38151.1 Unique )
&rst
ixpk= 38151, nxpk= 0, iat= -1,1745, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1774,1775,
&end
#
# 113 ILE MG2 112 LEU HN 6.00 (# 38164.1 Unique )
&rst
ixpk= 38164, nxpk= 0, iat= -1,1745, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1770,1771,1772,
&end
#
# 113 ILE MG2 116 GLY HN 6.00 (# 38180.1 Unique )
&rst
ixpk= 38180, nxpk= 0, iat= -1,1822, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1770,1771,1772,
&end
#
# 113 ILE MG2 130 SER QB 6.00 (# 38189.1 Unique )
&rst
ixpk= 38189, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1770,1771,1772,
igr2=2020,2021,
&end
#
# 113 ILE MG2 121 ALA HA 4.30 (# 38193.1 Unique )
&rst
ixpk= 38193, nxpk= 0, iat= -1,1879, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1770,1771,1772,
&end
#
# 113 ILE MD 112 LEU QB 4.80 (# 38206.1 Unique )
&rst
ixpk= 38206, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1777,1778,1779,
igr2=1749,1750,
&end
#
# 113 ILE MD 0 AMB m:38214 2.90 (# 38214.1 Single Ambig [HG 109 QB 109] )
&rst
ixpk= 38214, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1777,1778,1779,
igr2=1707,1704,1705,
&end
#
# 113 ILE MD 135 ARG HN 5.00 (# 38228.1 Unique )
&rst
ixpk= 38228, nxpk= 0, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1777,1778,1779,
&end
#
# 113 ILE MD 112 LEU HN 5.80 (# 38231.1 Unique )
&rst
ixpk= 38231, nxpk= 0, iat= -1,1745, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1777,1778,1779,
&end
#
# 113 ILE MD 113 ILE HN 4.50 (# 38237.1 Unique; orig = 3.30 )
&rst
ixpk= 38237, nxpk= 0, iat= -1,1764, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1777,1778,1779,
&end
#
# 121 ALA HA 124 LEU HN 4.70 (# 38261.1 Unique )
&rst
ixpk= 38261, nxpk= 0, iat=1879,1927, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 121 ALA HA 125 ASN QD2 5.80 (# 38264.1 Unique )
&rst
ixpk= 38264, nxpk= 0, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1955,1956,
&end
#
# 121 ALA MB 125 ASN QD2 5.30 (# 38277.1 Unique )
&rst
ixpk= 38277, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1881,1882,1883,
igr2=1955,1956,
&end
#
# 52 ALA MB 53 LEU HN 2.60 (# 38283.1 Unique )
&rst
ixpk= 38283, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr1= 806, 807, 808,
&end
#
# 125 ASN QB 123 VAL HN 6.00 (# 38296.1 Unique )
&rst
ixpk= 38296, nxpk= 0, iat= -1,1911, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1950,1951,
&end
#
# 125 ASN QB 124 LEU HN 6.00 (# 38300.1 Unique )
&rst
ixpk= 38300, nxpk= 0, iat= -1,1927, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1950,1951,
&end
#
# 125 ASN QB 128 GLY HN 6.00 (# 38304.1 Unique )
&rst
ixpk= 38304, nxpk= 0, iat= -1,1993, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1950,1951,
&end
#
# 0 AMB m:38308a 0 AMB m:38308b 6.00 (# 38308.1 Double Ambig [QB 125 QB 27] [HN 128 HN 22] )
&rst
ixpk= 38308, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1950,1951, 432, 433,
igr2=1993, 342,
&end
#
# 131 LEU QB 132 ASN HA 6.00 (# 38333.1 Unique )
&rst
ixpk= 38333, nxpk= 0, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2031,2032,
&end
#
# 131 LEU MD1 131 LEU HN 4.70 (# 38350.1 Unique )
&rst
ixpk= 38350, nxpk= 0, iat= -1,2027, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=2036,2037,2038,
&end
#
# 139 LEU HG 139 LEU HN 2.90 (# 38375.1 Unique )
&rst
ixpk= 38375, nxpk= 0, iat=2173,2166, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 139 LEU MD2 107 HIS HD2 6.00 (# 38396.1 Unique )
&rst
ixpk= 38396, nxpk= 0, iat= -1,1677, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2179,2180,2181,
&end
#
# 139 LEU MD2 135 ARG QB 5.80 (# 38399.1 Unique )
&rst
ixpk= 38399, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=2179,2180,2181,
igr2=2096,2097,
&end
#
# 142 LEU HA 142 LEU HN 2.90 (# 38405.1 Unique )
&rst
ixpk= 38405, nxpk= 0, iat=2223,2221, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 142 LEU HA 143 GLY HN 3.40 (# 38408.1 Unique )
&rst
ixpk= 38408, nxpk= 0, iat=2223,2240, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 114 ARG QB 114 ARG QB 4.30 (# 38469.1 Unique )
#This appears to be self-referential: ignoring
#
# 114 ARG QB 114 ARG QB 3.40 (# 38475.1 Unique )
#This appears to be self-referential: ignoring
#
# 114 ARG QB 114 ARG QB 3.10 (# 38486.1 Unique )
#This appears to be self-referential: ignoring
#
# 114 ARG QB 94 GLU QG 4.70 (# 38522.1 Unique )
&rst
ixpk= 38522, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1787,1788,
igr2=1473,1474,
&end
#
# 112 LEU HA 112 LEU HN 3.40 (# 38527.1 Unique )
&rst
ixpk= 38527, nxpk= 0, iat=1747,1745, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 112 LEU HA 0 AMB m:38533 4.90 (# 38533.1 Single Ambig [MB 120 MG2 31] )
&rst
ixpk= 38533, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1871,1872,1873, 488, 489, 490,
&end
#
# 112 LEU QB 0 AMB m:38561 4.80 (# 38561.1 Single Ambig [MD1 124 MD2 124] )
&rst
ixpk= 38561, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr1=1749,1750,
igr2=1936,1937,1938,1940,1941,1942,
&end
#
# 112 LEU QB 112 LEU HG 3.60 (# 38566.1 Unique )
&rst
ixpk= 38566, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1749,1750,
&end
#
# 112 LEU HG 113 ILE HN 6.00 (# 38573.1 Unique )
&rst
ixpk= 38573, nxpk= 0, iat=1752,1764, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 112 LEU HG 112 LEU MD2 2.90 (# 38579.1 Unique )
&rst
ixpk= 38579, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1758,1759,1760,
&end
#
# 112 LEU MD1 112 LEU HN 4.70 (# 38582.1 Unique )
&rst
ixpk= 38582, nxpk= 0, iat= -1,1745, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1754,1755,1756,
&end
#
# 112 LEU MD1 120 ALA HN 5.60 (# 38585.1 Unique )
&rst
ixpk= 38585, nxpk= 0, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1754,1755,1756,
&end
#
# 112 LEU MD1 121 ALA HN 6.00 (# 38588.1 Unique )
&rst
ixpk= 38588, nxpk= 0, iat= -1,1877, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1754,1755,1756,
&end
#
# 112 LEU MD1 113 ILE HN 5.80 (# 38591.1 Unique )
&rst
ixpk= 38591, nxpk= 0, iat= -1,1764, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1754,1755,1756,
&end
#
# 112 LEU MD2 112 LEU HN 4.70 (# 38594.1 Unique )
&rst
ixpk= 38594, nxpk= 0, iat= -1,1745, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1758,1759,1760,
&end
#
# 112 LEU MD2 119 VAL HN 6.00 (# 38607.1 Unique )
&rst
ixpk= 38607, nxpk= 0, iat= -1,1851, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1758,1759,1760,
&end
#
# 112 LEU MD2 31 THR HA 2.80 (# 38610.1 Unique )
&rst
ixpk= 38610, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1758,1759,1760,
&end
#
# 112 LEU MD2 32 GLU HA 4.70 (# 38613.1 Unique )
&rst
ixpk= 38613, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1758,1759,1760,
&end
#
# 112 LEU MD2 31 THR HB 2.80 (# 38616.1 Unique )
&rst
ixpk= 38616, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1758,1759,1760,
&end
#
# 110 LEU QB 110 LEU HA 3.00 (# 38639.1 Unique )
&rst
ixpk= 38639, nxpk= 0, iat= -1,1721, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1723,1724,
&end
#
# 110 LEU HG 111 GLY HN 6.00 (# 38651.1 Unique )
&rst
ixpk= 38651, nxpk= 0, iat=1726,1738, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 110 LEU MD2 94 GLU QG 6.00 (# 38674.1 Unique )
&rst
ixpk= 38674, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1732,1733,1734,
igr2=1473,1474,
&end
#
# 110 LEU MD1 107 HIS HN 6.00 (# 38678.1 Unique )
&rst
ixpk= 38678, nxpk= 0, iat= -1,1664, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1728,1729,1730,
&end
#
# 50 LEU HA 49 ALA HN 6.00 (# 38684.1 Unique )
&rst
ixpk= 38684, nxpk= 0, iat= 768, 756, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 LEU HG 110 LEU HN 5.00 (# 38707.1 Unique )
&rst
ixpk= 38707, nxpk= 0, iat=1707,1719, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 ARG QB 96 ARG QB 3.10 (# 38740.1 Unique )
#This appears to be self-referential: ignoring
#
# 96 ARG QB 96 ARG HA 4.00 (# 38749.1 Unique )
&rst
ixpk= 38749, nxpk= 0, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1495,1496,
&end
#
# 96 ARG QB 96 ARG HN 6.00 (# 38753.1 Unique )
&rst
ixpk= 38753, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1495,1496,
&end
#
# 96 ARG QB 96 ARG HA 4.30 (# 38757.1 Unique )
&rst
ixpk= 38757, nxpk= 0, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1495,1496,
&end
#
# 9 ARG QB 9 ARG QB 4.30 (# 38776.1 Unique )
#This appears to be self-referential: ignoring
#
# 34 ILE HA 17 ALA HN 6.00 (# 38796.1 Unique )
&rst
ixpk= 38796, nxpk= 0, iat= 530, 275, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 ILE HA 38 LEU HN 6.00 (# 38802.1 Unique )
&rst
ixpk= 38802, nxpk= 0, iat= 530, 592, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 ILE HA 0 AMB m:38818 5.00 (# 38818.1 Single Ambig [HA 14 HA 17] )
&rst
ixpk= 38818, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 229, 277,
&end
#
# 34 ILE HA 33 HIS QB 6.00 (# 38822.1 Unique )
&rst
ixpk= 38822, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 515, 516,
&end
#
# 34 ILE HA 33 HIS HA 6.00 (# 38826.1 Unique )
&rst
ixpk= 38826, nxpk= 0, iat= 530, 513, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 ILE HA 33 HIS HN 6.00 (# 38829.1 Unique )
&rst
ixpk= 38829, nxpk= 0, iat= 530, 511, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 ILE QG1 34 ILE HB 3.10 (# 38840.1 Unique )
&rst
ixpk= 38840, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1= 538, 539,
&end
#
# 34 ILE MG2 80 TYR HE 6.00 (# 38857.1 Unique )
&rst
ixpk= 38857, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 534, 535, 536,
igr2=1240,1245,
&end
#
# 34 ILE MG2 17 ALA MB 4.70 (# 38860.1 Unique )
&rst
ixpk= 38860, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 534, 535, 536,
igr2= 279, 280, 281,
&end
#
# 34 ILE MD 34 ILE HN 5.00 (# 38869.1 Unique )
&rst
ixpk= 38869, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 541, 542, 543,
&end
#
# 34 ILE MD 87 VAL HN 5.80 (# 38878.1 Unique )
&rst
ixpk= 38878, nxpk= 0, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 541, 542, 543,
&end
#
# 34 ILE MD 0 AMB m:38881 6.00 (# 38881.1 Single Ambig [HN 81 HN 80] )
&rst
ixpk= 38881, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 541, 542, 543,
igr2=1251,1230,
&end
#
# 34 ILE MD 30 GLY QA 6.00 (# 38885.1 Unique )
&rst
ixpk= 38885, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 541, 542, 543,
igr2= 477, 478,
&end
#
# 34 ILE MD 33 HIS QB 6.00 (# 38889.1 Unique )
&rst
ixpk= 38889, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 541, 542, 543,
igr2= 515, 516,
&end
#
# 34 ILE MD 29 ILE MD 6.00 (# 38896.1 Unique )
&rst
ixpk= 38896, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 541, 542, 543,
igr2= 469, 470, 471,
&end
#
# 35 LEU HA 38 LEU QB 3.10 (# 38899.1 Unique )
&rst
ixpk= 38899, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 596, 597,
&end
#
# 35 LEU QB 34 ILE HN 6.00 (# 38907.1 Unique )
&rst
ixpk= 38907, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 551, 552,
&end
#
# 35 LEU QB 35 LEU HA 3.40 (# 38915.1 Unique )
&rst
ixpk= 38915, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 551, 552,
&end
#
# 35 LEU MD1 35 LEU HA 2.30 (# 38929.1 Unique )
&rst
ixpk= 38929, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr1= 556, 557, 558,
&end
#
# 26 HIS QB 28 ASN HN 3.90 (# 38948.1 Unique )
&rst
ixpk= 38948, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 415, 416,
&end
#
# 26 HIS QB 22 LEU HN 6.00 (# 38952.1 Unique )
&rst
ixpk= 38952, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 415, 416,
&end
#
# 85 LYS QB 80 TYR HD 6.00 (# 38960.1 Unique )
&rst
ixpk= 38960, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1317,1318,
igr2=1238,1247,
&end
#
# 87 VAL MG1 90 LEU HN 6.00 (# 38968.1 Unique )
&rst
ixpk= 38968, nxpk= 0, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1363,1364,1365,
&end
#
# 16 LEU QB 0 AMB m:38980 6.00 (# 38980.1 Single Ambig [HN 15 HN 40] )
&rst
ixpk= 38980, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 260, 261,
igr2= 246, 627,
&end
#
# 16 LEU QB 37 GLY QA 4.10 (# 38985.1 Unique )
&rst
ixpk= 38985, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 260, 261,
igr2= 587, 588,
&end
#
# 17 ALA HA 20 GLU HN 4.70 (# 38994.1 Unique )
&rst
ixpk= 38994, nxpk= 0, iat= 277, 317, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 47 ALA HA 50 LEU HN 3.30 (# 39022.1 Unique )
&rst
ixpk= 39022, nxpk= 0, iat= 726, 766, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 47 ALA HA 49 ALA HN 6.00 (# 39025.1 Unique; orig = 4.10 )
&rst
ixpk= 39025, nxpk= 0, iat= 726, 756, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 ALA HA 50 LEU QB 3.50 (# 39028.1 Unique )
&rst
ixpk= 39028, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 770, 771,
&end
#
# 47 ALA HA 50 LEU HG 3.80 (# 39032.1 Unique )
&rst
ixpk= 39032, nxpk= 0, iat= 726, 773, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 59 LYS HA 61 GLN HN 5.80 (# 39042.1 Unique )
&rst
ixpk= 39042, nxpk= 0, iat= 892, 931, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 62 LYS HA 63 GLU HN 4.30 (# 39055.1 Unique )
&rst
ixpk= 39055, nxpk= 0, iat= 950, 970, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 74 MET QB 73 GLU HA 6.00 (# 39074.1 Unique )
&rst
ixpk= 39074, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1139,1140,
&end
#
# 85 LYS HA 0 AMB m:39087 4.80 (# 39087.1 Single Ambig [HN 87 HN 89] )
&rst
ixpk= 39087, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1357,1392,
&end
#
# 85 LYS HA 80 TYR HD 5.80 (# 39091.1 Unique )
&rst
ixpk= 39091, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1238,1247,
&end
#
# 89 GLU HA 90 LEU HN 4.40 (# 39108.1 Unique )
&rst
ixpk= 39108, nxpk= 0, iat=1394,1407, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 89 GLU HA 88 ILE HN 6.00 (# 39111.1 Unique )
&rst
ixpk= 39111, nxpk= 0, iat=1394,1373, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 89 GLU HA 93 ASP HN 5.00 (# 39114.1 Unique )
&rst
ixpk= 39114, nxpk= 0, iat=1394,1454, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 GLU HA 92 MET HN 4.50 (# 39117.1 Unique )
&rst
ixpk= 39117, nxpk= 0, iat=1394,1437, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 GLU HA 92 MET QB 4.50 (# 39120.1 Unique; orig = 2.60 )
&rst
ixpk= 39120, nxpk= 0, iat=1394, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1441,1442,
&end
#
# 91 SER HA 0 AMB m:39131 5.80 (# 39131.1 Single Ambig [HN 93 HN 95] )
&rst
ixpk= 39131, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1454,1481,
&end
#
# 91 SER HA 92 MET HN 4.10 (# 39135.1 Unique )
&rst
ixpk= 39135, nxpk= 0, iat=1428,1437, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 91 SER HA 0 AMB m:39154 5.80 (# 39154.1 Single Ambig [QB 90 HG 110] )
&rst
ixpk= 39154, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1411,1412,1726,
&end
#
# 91 SER QB 0 AMB m:39169 4.50 (# 39169.1 Single Ambig [HN 92 HN 108] )
&rst
ixpk= 39169, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1430,1431,
igr2=1437,1681,
&end
#
# 105 THR HA 108 ILE HB 3.10 (# 39193.1 Unique )
&rst
ixpk= 39193, nxpk= 0, iat=1637,1685, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 126 ASN HA 128 GLY HN 5.10 (# 39200.1 Unique )
&rst
ixpk= 39200, nxpk= 0, iat=1962,1993, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 135 ARG HA 138 VAL HB 3.10 (# 39203.1 Unique )
&rst
ixpk= 39203, nxpk= 0, iat=2094,2154, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 136 GLN HA 139 LEU QB 2.80 (# 39206.1 Unique )
&rst
ixpk= 39206, nxpk= 0, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2170,2171,
&end
#
# 136 GLN QB 136 GLN QB 2.50 (# 39210.1 Unique )
#This appears to be self-referential: ignoring
#
# 7 THR MG2 104 GLY HN 5.60 (# 39222.1 Unique )
&rst
ixpk= 39222, nxpk= 0, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 115, 116, 117,
&end
#
# 74 MET ME 75 SER HN 6.00 (# 39228.1 Unique; orig = 3.40 )
&rst
ixpk= 39228, nxpk= 0, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1146,1147,1148,
&end
#
# 2 MET ME 5 ARG HN 6.00 (# 39234.1 Unique )
&rst
ixpk= 39234, nxpk= 0, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 32, 33, 34,
&end
#
# 119 VAL MG2 32 GLU HN 5.40 (# 39246.1 Unique )
&rst
ixpk= 39246, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1861,1862,1863,
&end
#
# 119 VAL MG1 32 GLU HN 6.00 (# 39249.1 Unique )
&rst
ixpk= 39249, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1857,1858,1859,
&end
#
# 29 ILE QG1 18 GLN QB 6.00 (# 39272.1 Unique )
&rst
ixpk= 39272, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 466, 467,
igr2= 289, 290,
&end
#
# 78 ILE MD 22 LEU HN 4.50 (# 39296.1 Unique; orig = 3.10 )
&rst
ixpk= 39296, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1207,1208,1209,
&end
#
# 108 ILE MD 104 GLY QA 6.00 (# 39307.1 Unique )
&rst
ixpk= 39307, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1694,1695,1696,
igr2=1630,1631,
&end
#
# 21 ALA MB 28 ASN HA 6.00 (# 39310.1 Unique )
&rst
ixpk= 39310, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 336, 337, 338,
&end
#
# 31 THR MG2 118 GLY HN 6.00 (# 39317.1 Unique )
&rst
ixpk= 39317, nxpk= 0, iat= -1,1844, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 488, 489, 490,
&end
#
# 117 GLU QG 118 GLY HN 6.00 (# 39324.1 Unique )
&rst
ixpk= 39324, nxpk= 0, iat= -1,1844, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1836,1837,
&end
#
# 83 ARG QB 118 GLY HN 5.50 (# 39328.1 Unique )
&rst
ixpk= 39328, nxpk= 0, iat= -1,1844, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1283,1284,
&end
#
# 120 ALA MB 32 GLU HN 5.00 (# 39332.1 Unique )
&rst
ixpk= 39332, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1871,1872,1873,
&end
#
# 17 ALA MB 0 AMB m:39335 6.00 (# 39335.1 Single Ambig [HE 80 QE2 61] )
&rst
ixpk= 39335, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 279, 280, 281,
igr2=1240,1245, 943, 944,
&end
#
# 106 GLU QG 108 ILE HN 6.00 (# 39347.1 Unique )
&rst
ixpk= 39347, nxpk= 0, iat= -1,1681, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1656,1657,
&end
#
# 65 GLU QG 61 GLN HA 6.00 (# 39354.1 Unique; orig = 4.80 )
&rst
ixpk= 39354, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1008,1009,
&end
#
# 65 GLU QG 0 AMB m:39361 3.60 (# 39361.1 Single Ambig [MD1 24 MD2 36] )
&rst
ixpk= 39361, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1008,1009,
igr2= 394, 395, 396, 579, 580, 581,
&end
#
# 82 PRO HA 84 ALA HN 6.00 (# 39370.1 Unique )
&rst
ixpk= 39370, nxpk= 0, iat=1275,1303, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 123 VAL MG1 126 ASN QB 6.00 (# 39377.1 Unique )
&rst
ixpk= 39377, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1917,1918,1919,
igr2=1964,1965,
&end
#
# 124 LEU MD2 124 LEU HN 4.60 (# 39381.1 Unique )
&rst
ixpk= 39381, nxpk= 0, iat= -1,1927, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1940,1941,1942,
&end
#
# 124 LEU MD2 123 VAL HB 6.00 (# 39399.1 Unique )
&rst
ixpk= 39399, nxpk= 0, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1940,1941,1942,
&end
#
# 124 LEU MD2 55 LEU QB 6.00 (# 39402.1 Unique )
&rst
ixpk= 39402, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1940,1941,1942,
igr2= 842, 843,
&end
#
# 30 GLY QA 0 AMB m:39412 3.90 (# 39412.1 Single Ambig [HN 30 MG2 29] )
&rst
ixpk= 39412, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 477, 478,
igr2= 475, 462, 463, 464,
&end
#
# 30 GLY QA 83 ARG QB 4.30 (# 39421.1 Unique )
&rst
ixpk= 39421, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 477, 478,
igr2=1283,1284,
&end
#
# 0 AMB m:39447 26 HIS HD2 6.00 (# 39447.1 Single Ambig [MD2 24 MD1 24] )
&rst
ixpk= 39447, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 398, 399, 400, 394, 395, 396,
&end
#
# 24 LEU MD1 65 GLU QG 4.70 (# 39456.1 Unique )
&rst
ixpk= 39456, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 394, 395, 396,
igr2=1008,1009,
&end
#
# 0 AMB m:39460 33 HIS HD2 3.80 (# 39460.1 Single Ambig [MD1 24 MD2 24] )
&rst
ixpk= 39460, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 394, 395, 396, 398, 399, 400,
&end
#
# 83 ARG QB 84 ALA HN 5.60 (# 39508.1 Unique )
&rst
ixpk= 39508, nxpk= 0, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1283,1284,
&end
#
# 94 GLU QG 92 MET HN 6.00 (# 39512.1 Unique )
&rst
ixpk= 39512, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1473,1474,
&end
#
# 19 GLU QG 20 GLU HN 4.30 (# 39516.1 Unique )
&rst
ixpk= 39516, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 309, 310,
&end
#
# 11 GLN QB 14 LEU HN 6.00 (# 39527.1 Unique )
&rst
ixpk= 39527, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 176, 177,
&end
#
# 11 GLN QB 14 LEU MD1 5.60 (# 39531.1 Unique )
&rst
ixpk= 39531, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 176, 177,
igr2= 236, 237, 238,
&end
#
# 11 GLN QB 13 VAL MG2 6.00 (# 39535.1 Unique )
&rst
ixpk= 39535, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 176, 177,
igr2= 221, 222, 223,
&end
#
# 11 GLN QB 12 LYS HA 6.00 (# 39543.1 Unique )
&rst
ixpk= 39543, nxpk= 0, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 176, 177,
&end
#
# 85 LYS QB 0 AMB m:39555 6.00 (# 39555.1 Single Ambig [HN 87 HN 89] )
&rst
ixpk= 39555, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1317,1318,
igr2=1357,1392,
&end
#
# 133 LYS QB 130 SER HN 6.00 (# 39560.1 Unique )
&rst
ixpk= 39560, nxpk= 0, iat= -1,2016, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2064,2065,
&end
#
# 11 GLN QB 7 THR HN 6.00 (# 39579.1 Unique )
&rst
ixpk= 39579, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 176, 177,
&end
#
# 55 LEU HG 53 LEU HN 6.00 (# 39597.1 Unique )
&rst
ixpk= 39597, nxpk= 0, iat= 845, 812, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 63 GLU QG 126 ASN QD2 6.00 (# 39600.1 Unique )
&rst
ixpk= 39600, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 977, 978,
igr2=1969,1970,
&end
#
# 9 ARG QB 44 GLY HN 6.00 (# 39615.1 Unique )
&rst
ixpk= 39615, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 142, 143,
&end
#
# 2 MET QB 3 PHE HD 6.00 (# 39627.1 Unique )
&rst
ixpk= 39627, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 25, 26,
igr2= 46, 54,
&end
#
# 3 PHE HA 3 PHE HE 6.00 (# 39634.1 Unique )
&rst
ixpk= 39634, nxpk= 0, iat= 40, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 48, 52,
&end
#
# 3 PHE HA 5 ARG HN 5.80 (# 39640.1 Unique )
&rst
ixpk= 39640, nxpk= 0, iat= 40, 65, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 5 ARG HA 5 ARG HE 6.00 (# 39647.1 Unique )
&rst
ixpk= 39647, nxpk= 0, iat= 67, 78, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 5 ARG QB 102 TYR HE 6.00 (# 39654.1 Unique )
&rst
ixpk= 39654, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 69, 70,
igr2=1601,1606,
&end
#
# 108 ILE HB 105 THR HN 6.00 (# 39658.1 Unique )
&rst
ixpk= 39658, nxpk= 0, iat=1685,1635, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 LEU HA 23 ARG HN 6.00 (# 39679.1 Unique )
&rst
ixpk= 39679, nxpk= 0, iat= 387, 361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 GLY QA 39 VAL HN 6.00 (# 39682.1 Unique )
&rst
ixpk= 39682, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 587, 588,
&end
#
# 42 GLY QA 41 GLU HN 6.00 (# 39691.1 Unique )
&rst
ixpk= 39691, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 668, 669,
&end
#
# 11 GLN QB 6 PHE QB 6.00 (# 39704.1 Unique )
&rst
ixpk= 39704, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 176, 177,
igr2= 93, 94,
&end
#
# 105 THR HA 46 ALA HN 6.00 (# 39712.1 Unique )
&rst
ixpk= 39712, nxpk= 0, iat=1637, 714, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 106 GLU QG 106 GLU QB 3.40 (# 39715.1 Unique )
&rst
ixpk= 39715, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1656,1657,
igr2=1653,1654,
&end
#
# 50 LEU MD2 53 LEU HN 6.00 (# 39734.1 Unique )
&rst
ixpk= 39734, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 779, 780, 781,
&end
#
# 67 LEU MD1 122 ARG QB 4.10 (# 39740.1 Unique )
&rst
ixpk= 39740, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1036,1037,1038,
igr2=1891,1892,
&end
#
# 106 GLU QB 138 VAL MG2 5.60 (# 39760.1 Unique )
&rst
ixpk= 39760, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1653,1654,
igr2=2160,2161,2162,
&end
#
# 67 LEU MD2 0 AMB m:39794 2.50 (# 39794.1 Single Ambig [HG 67 QB 67] )
&rst
ixpk= 39794, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=1040,1041,1042,
igr2=1034,1031,1032,
&end
#
# 133 LYS QB 133 LYS HN 6.00 (# 39799.1 Unique )
&rst
ixpk= 39799, nxpk= 0, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2064,2065,
&end
#
# 118 GLY QA 0 AMB m:39813 4.30 (# 39813.1 Single Ambig [QB 83 HA 119] )
&rst
ixpk= 39813, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1846,1847,
igr2=1283,1284,1853,
&end
#
# 87 VAL MG1 108 ILE HA 5.00 (# 39819.1 Unique )
&rst
ixpk= 39819, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1363,1364,1365,
&end
#
# 87 VAL MG1 0 AMB m:39822 6.00 (# 39822.1 Single Ambig [HN 121 HN 34] )
&rst
ixpk= 39822, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1363,1364,1365,
igr2=1877, 528,
&end
#
# 85 LYS QB 80 TYR HD 6.00 (# 39836.1 Unique )
&rst
ixpk= 39836, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1317,1318,
igr2=1238,1247,
&end
#
# 89 GLU QG 86 LYS HA 4.50 (# 39850.1 Unique )
&rst
ixpk= 39850, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1399,1400,
&end
#
# 112 LEU MD1 31 THR HA 5.00 (# 39858.1 Unique )
&rst
ixpk= 39858, nxpk= 0, iat= -1, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1754,1755,1756,
&end
#
# 141 LEU QB 49 ALA HA 6.00 (# 39868.1 Unique )
&rst
ixpk= 39868, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2206,2207,
&end
#
# 0 AMB m:39904a 0 AMB m:39904b 2.80 (# 39904.1 Double Ambig [MD2 112 MD1 22] [HA 112 HA 19] )
&rst
ixpk= 39904, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1758,1759,1760, 351, 352, 353,
igr2=1747, 304,
&end
#
# 50 LEU MD1 0 AMB m:39908 3.30 (# 39908.1 Single Ambig [HA 47 HA 50 HA 39] )
&rst
ixpk= 39908, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 775, 776, 777,
igr2= 726, 768, 613,
&end
#
# 112 LEU MD2 0 AMB m:39916 2.60 (# 39916.1 Single Ambig [HB 34 QB 35] )
&rst
ixpk= 39916, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1758,1759,1760,
igr2= 532, 551, 552,
&end
#
# 0 AMB m:39923a 0 AMB m:39923b 3.10 (# 39923.1 Double Ambig [MD1 110 MD2 98] [QB 110 HG 139 QB 139 QB 135] )
&rst
ixpk= 39923, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1728,1729,1730,1550,1551,1552,
igr2=1723,1724,2173,2170,2171,2096,2097,
&end
#
# 131 LEU MD1 0 AMB m:39931 3.40 (# 39931.1 Single Ambig [QB 131 HB 113] )
&rst
ixpk= 39931, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=2036,2037,2038,
igr2=2031,2032,1768,
&end
#
# 55 LEU MD2 127 LEU QB 3.30 (# 39939.1 Unique )
&rst
ixpk= 39939, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 851, 852, 853,
igr2=1978,1979,
&end
#
# 53 LEU MD1 0 AMB m:39942 6.00 (# 39942.1 Single Ambig [QB 50 HG 109 MB 46] )
&rst
ixpk= 39942, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 821, 822, 823,
igr2= 770, 771,1707, 718, 719, 720,
&end
#
# 90 LEU MD1 114 ARG QB 6.00 (# 39947.1 Unique )
&rst
ixpk= 39947, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1416,1417,1418,
igr2=1787,1788,
&end
#
# 0 AMB m:39954a 0 AMB m:39954b 3.10 (# 39954.1 Double Ambig [MD1 50 MD1 124] [QB 50 HG 35 HG 109 MB 46] )
&rst
ixpk= 39954, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 775, 776, 777,1936,1937,1938,
igr2= 770, 771, 554,1707, 718, 719, 720,
&end
#
# 53 LEU MD1 0 AMB m:39960 6.00 (# 39960.1 Single Ambig [MB 134 MB 49] )
&rst
ixpk= 39960, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 821, 822, 823,
igr2=2086,2087,2088, 760, 761, 762,
&end
#
# 120 ALA HA 0 AMB m:39968 3.00 (# 39968.1 Single Ambig [MD2 35 MG1 119 MG1 123 MD1 112] )
&rst
ixpk= 39968, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 560, 561, 562,1857,1858,1859,1917,1918,1919,1754,
1755,1756,
&end
#
# 0 AMB m:39974a 0 AMB m:39974b 3.30 (# 39974.1 Double Ambig [QB 59 QB 62] [MD2 127 MD2 55 MD1 55] )
&rst
ixpk= 39974, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 894, 895, 952, 953,
igr2=1987,1988,1989, 851, 852, 853, 847, 848, 849,
&end
#
# 64 VAL MG2 0 AMB m:39980 6.00 (# 39980.1 Single Ambig [HG 36 HG 127] )
&rst
ixpk= 39980, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 995, 996, 997,
igr2= 573,1981,
&end
#
# 123 VAL MG2 0 AMB m:39984 3.60 (# 39984.1 Single Ambig [QB 122 HG 67 HB 119] )
&rst
ixpk= 39984, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1921,1922,1923,
igr2=1891,1892,1034,1855,
&end
#
# 0 AMB m:39995a 0 AMB m:39995b 4.10 (# 39995.1 Double Ambig [MG2 138 MD1 141 MD2 142] [HA 49 QB 144] )
&rst
ixpk= 39995, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1=2160,2161,2162,2211,2212,2213,2234,2235,2236,
igr2= 758,2251,2252,
&end
#
# 0 AMB m:40001a 0 AMB m:40001b 4.00 (# 40001.1 Double Ambig [MG2 138 MD2 53 MD1 141] [HA 49 HA 134] )
&rst
ixpk= 40001, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=2160,2161,2162, 825, 826, 827,2211,2212,2213,
igr2= 758,2084,
&end
#
# 138 VAL MG2 0 AMB m:40008 6.00 (# 40008.1 Single Ambig [HA 46 HA 135 HA 106] )
&rst
ixpk= 40008, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2160,2161,2162,
igr2= 716,2094,1651,
&end
#
# 0 AMB m:40013a 0 AMB m:40013b 2.30 (# 40013.1 Double Ambig [MD1 36 MD1 24] [HA 36 QA 69] )
&rst
ixpk= 40013, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 575, 576, 577, 394, 395, 396,
igr2= 568,1067,1068,
&end
#
# 0 AMB m:40020a 0 AMB m:40020b 3.60 (# 40020.1 Double Ambig [MG2 31 MG2 105] [QB 83 QB 9 HB 108] )
&rst
ixpk= 40020, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 488, 489, 490,1641,1642,1643,
igr2=1283,1284, 142, 143,1685,
&end
#
# 0 AMB m:40026 137 GLN QB 2.90 (# 40026.1 Single Ambig [MD2 53 MG2 138] )
&rst
ixpk= 40026, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 825, 826, 827,2160,2161,2162,
igr2=2137,2138,
&end
#
# 0 AMB m:40032a 0 AMB m:40032b 2.70 (# 40032.1 Double Ambig [MD1 36 MD1 24 MD2 16] [HB 64 QG 65 QB 61 QG 19 QB 19] )
&rst
ixpk= 40032, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 575, 576, 577, 394, 395, 396, 269, 270, 271,
igr2= 989,1008,1009, 935, 936, 309, 310, 306, 307,
&end
#
# 0 AMB m:40041a 0 AMB m:40041b 2.50 (# 40041.1 Double Ambig [MD2 53 MD1 141] [HG 53 QB 53 QB 48] )
&rst
ixpk= 40041, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 825, 826, 827,2211,2212,2213,
igr2= 819, 816, 817, 738, 739,
&end
#
# 0 AMB m:40046a 0 AMB m:40046b 2.50 (# 40046.1 Double Ambig [MD1 141 MG2 138] [HG 141 QB 48 QB 106] )
&rst
ixpk= 40046, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2211,2212,2213,2160,2161,2162,
igr2=2209, 738, 739,1653,1654,
&end
#
# 0 AMB m:40051a 0 AMB m:40051b 2.20 (# 40051.1 Double Ambig [MD2 16 MD1 36] [HG 16 HG 36 QB 36] )
&rst
ixpk= 40051, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 269, 270, 271, 575, 576, 577,
igr2= 263, 573, 570, 571,
&end
#
# 129 VAL MG2 0 AMB m:40056 3.10 (# 40056.1 Single Ambig [QB 53 QB 127] )
&rst
ixpk= 40056, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=2010,2011,2012,
igr2= 816, 817,1978,1979,
&end
#
# 0 AMB m:40065a 0 AMB m:40065b 6.00 (# 40065.1 Double Ambig [MD1 141 MD2 142 MD2 53 MG2 138] [QB 141 QB 139 MB 52 QB 106] )
&rst
ixpk= 40065, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
igr1=2211,2212,2213,2234,2235,2236, 825, 826, 827,2160,
2161,2162,
igr2=2206,2207,2170,2171, 806, 807, 808,1653,1654,
&end
#
# 138 VAL MG2 0 AMB m:40071 6.00 (# 40071.1 Single Ambig [HG 109 QB 109] )
&rst
ixpk= 40071, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2160,2161,2162,
igr2=1707,1704,1705,
&end
#
# 119 VAL MG1 32 GLU QB 6.00 (# 40079.1 Unique )
&rst
ixpk= 40079, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1857,1858,1859,
igr2= 500, 501,
&end
#
# 0 AMB m:40082a 0 AMB m:40082b 3.60 (# 40082.1 Double Ambig [MG2 105 MG2 31] [MD2 38 MD2 112 MG1 87 MD 108 MG2 13 MD 34 MD1 90] )
&rst
ixpk= 40082, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
igr1=1641,1642,1643, 488, 489, 490,
igr2= 605, 606, 607,1758,1759,1760,1363,1364,1365,1694,
1695,1696, 221, 222, 223, 541, 542, 543,1416,1417,
1418,
&end
#
# 39 VAL MG1 0 AMB m:40091 6.00 (# 40091.1 Single Ambig [HA 39 HA 47] )
&rst
ixpk= 40091, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 617, 618, 619,
igr2= 613, 726,
&end
#
# 39 VAL MG2 0 AMB m:40099 6.00 (# 40099.1 Single Ambig [HA 36 HA 35] )
&rst
ixpk= 40099, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 621, 622, 623,
igr2= 568, 549,
&end
#
# 39 VAL MG2 0 AMB m:40107 6.00 (# 40107.1 Single Ambig [HB 60 HG 50] )
&rst
ixpk= 40107, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 621, 622, 623,
igr2= 916, 773,
&end
#
# 0 AMB m:40111a 0 AMB m:40111b 3.10 (# 40111.1 Double Ambig [MG1 138 MG2 129] [QB 106 HG 55] )
&rst
ixpk= 40111, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=2156,2157,2158,2010,2011,2012,
igr2=1653,1654, 845,
&end
#
# 0 AMB m:40115a 0 AMB m:40115b 4.10 (# 40115.1 Double Ambig [MG1 138 MG2 129] [MB 49 QG 106 MB 134] )
&rst
ixpk= 40115, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=2156,2157,2158,2010,2011,2012,
igr2= 760, 761, 762,1656,1657,2086,2087,2088,
&end
#
# 39 VAL MG2 0 AMB m:40120 3.10 (# 40120.1 Single Ambig [MD1 35 QG1 60 MD1 36 MG1 123 MD1 109] )
&rst
ixpk= 40120, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 621, 622, 623,
igr2= 556, 557, 558, 922, 923, 575, 576, 577,1917,1918,
1919,1709,1710,1711,
&end
#
# 0 AMB m:40134a 0 AMB m:40134b 6.00 (# 40134.1 Double Ambig [MB 10 MB 84] [MD 108 MD 34 MG2 29 MD2 38 QG1 34] )
&rst
ixpk= 40134, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.56, r4=13.06,
igr1= 166, 167, 168,1307,1308,1309,
igr2=1694,1695,1696, 541, 542, 543, 462, 463, 464, 605,
606, 607, 538, 539,
&end
#
# 134 ALA MB 0 AMB m:40152 6.00 (# 40152.1 Single Ambig [HA 131 HA 110] )
&rst
ixpk= 40152, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2086,2087,2088,
igr2=2029,1721,
&end
#
# 0 AMB m:40162a 0 AMB m:40162b 6.00 (# 40162.1 Double Ambig [MB 52 MB 121] [QB 137 HB 123] )
&rst
ixpk= 40162, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 806, 807, 808,1881,1882,1883,
igr2=2137,2138,1915,
&end
#
# 34 ILE MG2 0 AMB m:40167 2.50 (# 40167.1 Single Ambig [HB 34 HB 108] )
&rst
ixpk= 40167, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 534, 535, 536,
igr2= 532,1685,
&end
#
# 0 AMB m:40171a 0 AMB m:40171b 4.00 (# 40171.1 Double Ambig [MB 52 MB 47 MB 121] [HG 53 QB 53 QB 48 QB 122] )
&rst
ixpk= 40171, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1= 806, 807, 808, 728, 729, 730,1881,1882,1883,
igr2= 819, 816, 817, 738, 739,1891,1892,
&end
#
# 113 ILE MG2 0 AMB m:40178 6.00 (# 40178.1 Single Ambig [HG 131 QB 131] )
&rst
ixpk= 40178, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1770,1771,1772,
igr2=2034,2031,2032,
&end
#
# 0 AMB m:40182a 0 AMB m:40182b 6.00 (# 40182.1 Double Ambig [MB 52 MB 121 MB 47] [MD2 141 MG2 113 MD1 141 MG2 138 MD1 35] )
&rst
ixpk= 40182, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
igr1= 806, 807, 808,1881,1882,1883, 728, 729, 730,
igr2=2215,2216,2217,1770,1771,1772,2211,2212,2213,2160,
2161,2162, 556, 557, 558,
&end
#
# 49 ALA MB 0 AMB m:40190 6.00 (# 40190.1 Single Ambig [MD2 141 MG2 45 MD1 109] )
&rst
ixpk= 40190, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.39, r4=10.89,
igr1= 760, 761, 762,
igr2=2215,2216,2217, 701, 702, 703,1709,1710,1711,
&end
#
# 38 LEU QB 0 AMB m:40209 3.30 (# 40209.1 Single Ambig [MD1 38 MD2 38 MD1 35 MG2 13] )
&rst
ixpk= 40209, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 596, 597,
igr2= 601, 602, 603, 605, 606, 607, 556, 557, 558, 221,
222, 223,
&end
#
# 0 AMB m:40218a 0 AMB m:40218b 3.00 (# 40218.1 Double Ambig [QB 48 QB 86] [QB 48 QB 86] )
#This appears to be self-referential: ignoring
#
# 0 AMB m:40223a 0 AMB m:40223b 6.00 (# 40223.1 Double Ambig [QB 59 QB 86] [QB 62 QB 83]; orig = 4.30 )
&rst
ixpk= 40223, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 894, 895,1339,1340,
igr2= 952, 953,1283,1284,
&end
#
# 85 LYS QB 85 LYS QB 3.50 (# 40227.1 Unique; orig = 2.90 )
#This appears to be self-referential: ignoring
#
# 85 LYS QB 85 LYS QB 3.10 (# 40230.1 Unique )
#This appears to be self-referential: ignoring
#
# 0 AMB m:40233a 0 AMB m:40233b 2.80 (# 40233.1 Double Ambig [QB 86 QB 48 QB 59 QB 62] [QB 86 QB 48 QB 59 QB 62] )
#This appears to be self-referential: ignoring
#
# 86 LYS QB 0 AMB m:40245 6.00 (# 40245.1 Single Ambig [MD1 90 MD2 90 MG1 87] )
&rst
ixpk= 40245, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1339,1340,
igr2=1416,1417,1418,1420,1421,1422,1363,1364,1365,
&end
#
# 88 ILE MD 0 AMB m:40250 6.00 (# 40250.1 Single Ambig [MD 34 MG2 34 MD2 14 QG1 34] )
&rst
ixpk= 40250, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.75, r4=11.25,
igr1=1386,1387,1388,
igr2= 541, 542, 543, 534, 535, 536, 240, 241, 242, 538,
539,
&end
#
# 139 LEU QB 0 AMB m:40256 3.90 (# 40256.1 Single Ambig [MD1 139 MD2 139 MD2 142] )
&rst
ixpk= 40256, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=2170,2171,
igr2=2175,2176,2177,2179,2180,2181,2234,2235,2236,
&end
#
# 0 AMB m:40267a 0 AMB m:40267b 2.60 (# 40267.1 Double Ambig [QB 35 QB 109] [MD1 112 MD2 109 MD2 35 MD1 109 MG1 138 MD2 110] )
&rst
ixpk= 40267, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 551, 552,1704,1705,
igr2=1754,1755,1756,1713,1714,1715, 560, 561, 562,1709,
1710,1711,2156,2157,2158,1732,1733,1734,
&end
#
# 0 AMB m:40277a 0 AMB m:40277b 2.70 (# 40277.1 Double Ambig [HB 105 HB 31] [HA 105 HA 31 QA 42] )
&rst
ixpk= 40277, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1639, 486,
igr2=1637, 484, 668, 669,
&end
#
# 0 AMB m:40282a 0 AMB m:40282b 2.80 (# 40282.1 Double Ambig [HB 105 HB 31] [MD2 38 MD2 112 MG1 87 MD 108 MD1 38 MD1 112] )
&rst
ixpk= 40282, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1639, 486,
igr2= 605, 606, 607,1758,1759,1760,1363,1364,1365,1694,
1695,1696, 601, 602, 603,1754,1755,1756,
&end
#
# 0 AMB m:40290a 0 AMB m:40290b 2.30 (# 40290.1 Double Ambig [HA 64 HA 87 HA 13] [MG1 119 MD1 90 MG1 87 MD1 67 MG1 64 MD1 16 MG1 123 MD 68] )
&rst
ixpk= 40290, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 987,1359, 213,
igr2=1857,1858,1859,1416,1417,1418,1363,1364,1365,1036,
1037,1038, 991, 992, 993, 265, 266, 267,1917,1918,
1919,1059,1060,1061,
&end
#
# 0 AMB m:40300a 0 AMB m:40300b 3.00 (# 40300.1 Double Ambig [HB 34 HB 108] [MD 34 MD 108 MD1 38 QG1 34 MG2 29 MG1 87 MD2 38 MD1 112] )
&rst
ixpk= 40300, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 532,1685,
igr2= 541, 542, 543,1694,1695,1696, 601, 602, 603, 538,
539, 462, 463, 464,1363,1364,1365, 605, 606, 607,
1754,1755,1756,
&end
#
# 0 AMB m:40311a 0 AMB m:40311b 2.80 (# 40311.1 Double Ambig [HB 108 HB 34] [MG2 108 MG2 34 MD 34 QG1 34 MG2 29 MD1 112] )
&rst
ixpk= 40311, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1685, 532,
igr2=1687,1688,1689, 534, 535, 536, 541, 542, 543, 538,
539, 462, 463, 464,1754,1755,1756,
&end
#
# 34 ILE HA 0 AMB m:40320 4.90 (# 40320.1 Single Ambig [MG2 13 MD1 38 MD2 112 MG1 87 MD 108 MD2 38] )
&rst
ixpk= 40320, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2= 221, 222, 223, 601, 602, 603,1758,1759,1760,1363,
1364,1365,1694,1695,1696, 605, 606, 607,
&end
#
# 63 GLU QG 0 AMB m:40328 3.80 (# 40328.1 Single Ambig [MD2 127 MG1 123] )
&rst
ixpk= 40328, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 977, 978,
igr2=1987,1988,1989,1917,1918,1919,
&end
#
# 63 GLU QG 0 AMB m:40332 6.00 (# 40332.1 Single Ambig [MD2 127 MG1 123 MD1 67] )
&rst
ixpk= 40332, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 977, 978,
igr2=1987,1988,1989,1917,1918,1919,1036,1037,1038,
&end
#
# 60 ILE HA 0 AMB m:40337 3.00 (# 40337.1 Single Ambig [QG1 60 MG1 123 MD2 127 MD1 55 MD2 55] )
&rst
ixpk= 40337, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 922, 923,1917,1918,1919,1987,1988,1989, 847, 848,
849, 851, 852, 853,
&end
#
# 57 SER HA 39 VAL MG1 2.20 (# 40344.1 Unique )
&rst
ixpk= 40344, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,
igr2= 617, 618, 619,
&end
#
# 64 VAL HB 0 AMB m:40347 2.70 (# 40347.1 Single Ambig [MG1 64 MD 68 MG1 119 MG1 123] )
&rst
ixpk= 40347, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 991, 992, 993,1059,1060,1061,1857,1858,1859,1917,
1918,1919,
&end
#
# 0 AMB m:40353a 0 AMB m:40353b 2.70 (# 40353.1 Double Ambig [HB 13 HB 87] [MG2 13 MG1 87 MD2 38 MD2 112 MD2 14 MD 34] )
&rst
ixpk= 40353, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 215,1361,
igr2= 221, 222, 223,1363,1364,1365, 605, 606, 607,1758,
1759,1760, 240, 241, 242, 541, 542, 543,
&end
#
# 73 GLU QB 73 GLU QG 3.00 (# 40361.1 Unique )
&rst
ixpk= 40361, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1124,1125,
igr2=1127,1128,
&end
#
# 73 GLU QB 73 GLU QB 3.50 (# 40367.1 Unique; orig = 2.20 )
#This appears to be self-referential: ignoring
#
# 0 AMB m:40373a 0 AMB m:40373b 6.00 (# 40373.1 Double Ambig [QB 40 QB 73] [MD1 16 MD2 16 MD2 22] )
&rst
ixpk= 40373, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 631, 632,1124,1125,
igr2= 265, 266, 267, 269, 270, 271, 355, 356, 357,
&end
#
# 0 AMB m:40382a 0 AMB m:40382b 2.20 (# 40382.1 Double Ambig [QB 41 QB 115] [QB 41 QB 115 QB 40] )
#This appears to be self-referential: ignoring
#
# 0 AMB m:40390a 0 AMB m:40390b 2.70 (# 40390.1 Double Ambig [QB 63 QB 65] [MG1 123 MD1 24 MD2 127 MD1 67 MG1 64 MD 68 MD1 36] )
&rst
ixpk= 40390, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 974, 975,1005,1006,
igr2=1917,1918,1919, 394, 395, 396,1987,1988,1989,1036,
1037,1038, 991, 992, 993,1059,1060,1061, 575, 576,
577,
&end
#
# 34 ILE QG1 0 AMB m:40399 2.20 (# 40399.1 Single Ambig [MG2 29 MD 34 QG1 34 MG2 34] )
#This appears to be self-referential: ignoring
#
# 51 GLN QB 0 AMB m:40405 3.00 (# 40405.1 Single Ambig [HA 51 HA 48] )
&rst
ixpk= 40405, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 789, 790,
igr2= 787, 736,
&end
#
# 0 AMB m:40409a 0 AMB m:40409b 3.10 (# 40409.1 Double Ambig [HA 86 HA 20] [QB 86 QB 20 QB 89 QG 89] )
&rst
ixpk= 40409, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1337, 319,
igr2=1339,1340, 321, 322,1396,1397,1399,1400,
&end
#
# 0 AMB m:40415a 0 AMB m:40415b 2.90 (# 40415.1 Double Ambig [HA 40 HA 139] [QB 40 QB 139 HG 142 QB 142] )
&rst
ixpk= 40415, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 629,2168,
igr2= 631, 632,2170,2171,2228,2225,2226,
&end
#
# 0 AMB m:40422a 0 AMB m:40422b 2.70 (# 40422.1 Double Ambig [HA 114 HA 50 HA 110] [QB 114 QB 50 QB 110] )
&rst
ixpk= 40422, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1785, 768,1721,
igr2=1787,1788, 770, 771,1723,1724,
&end
#
# 0 AMB m:40429a 0 AMB m:40429b 2.50 (# 40429.1 Double Ambig [HA 131 HA 136] [MG2 113 MD1 131 MD1 139] )
&rst
ixpk= 40429, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=2029,2118,
igr2=1770,1771,1772,2036,2037,2038,2175,2176,2177,
&end
#
# 0 AMB m:40434a 0 AMB m:40434b 2.30 (# 40434.1 Double Ambig [HA 36 HA 35] [MD1 36 MD1 38 MD1 35 MD2 36 MD2 38] )
&rst
ixpk= 40434, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 568, 549,
igr2= 575, 576, 577, 601, 602, 603, 556, 557, 558, 579,
580, 581, 605, 606, 607,
&end
#
# 0 AMB m:40441a 0 AMB m:40441b 2.20 (# 40441.1 Double Ambig [HA 109 HA 114] [MD1 112 MD1 109 MD1 38 MD2 109 MD1 90] )
&rst
ixpk= 40441, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1702,1785,
igr2=1754,1755,1756,1709,1710,1711, 601, 602, 603,1713,
1714,1715,1416,1417,1418,
&end
#
# 32 GLU HA 0 AMB m:40456 3.40 (# 40456.1 Single Ambig [MG1 64 MG1 119 MD 68 MD2 35 MD1 112] )
&rst
ixpk= 40456, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 991, 992, 993,1857,1858,1859,1059,1060,1061, 560,
561, 562,1754,1755,1756,
&end
#
# 0 AMB m:40468a 0 AMB m:40468b 4.60 (# 40468.1 Double Ambig [HG 55 QB 96] [QB 127 QB 97] )
&rst
ixpk= 40468, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 845,1495,1496,
igr2=1978,1979,1519,1520,
&end
#
# 0 AMB m:40472a 0 AMB m:40472b 2.80 (# 40472.1 Double Ambig [HA 22 HA 14] [QB 22 QB 14] )
&rst
ixpk= 40472, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 344, 229,
igr2= 346, 347, 231, 232,
&end
#
# 38 LEU MD1 0 AMB m:40476 3.60 (# 40476.1 Single Ambig [QB 35 MB 46 QB 109 HG 35 MB 120] )
&rst
ixpk= 40476, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 601, 602, 603,
igr2= 551, 552, 718, 719, 720,1704,1705, 554,1871,1872,
1873,
&end
#
# 0 AMB m:40483a 0 AMB m:40483b 2.50 (# 40483.1 Double Ambig [HG 98 HG 67] [MD1 98 MD2 67 MD1 67] )
&rst
ixpk= 40483, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1544,1034,
igr2=1546,1547,1548,1040,1041,1042,1036,1037,1038,
&end
#
# 55 LEU HG 0 AMB m:40488 2.70 (# 40488.1 Single Ambig [MD1 55 MD2 55 MG2 129] )
&rst
ixpk= 40488, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 847, 848, 849, 851, 852, 853,2010,2011,2012,
&end
#
# 35 LEU HG 0 AMB m:40493 2.80 (# 40493.1 Single Ambig [MD2 35 MG2 60 MD1 112] )
&rst
ixpk= 40493, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 560, 561, 562, 918, 919, 920,1754,1755,1756,
&end
#
# 67 LEU MD1 0 AMB m:40527 2.30 (# 40527.1 Single Ambig [HG 67 QB 67] )
&rst
ixpk= 40527, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1=1036,1037,1038,
igr2=1034,1031,1032,
&end
#
# 35 LEU MD2 0 AMB m:40531 6.00 (# 40531.1 Single Ambig [MB 120 QB 124] )
&rst
ixpk= 40531, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 560, 561, 562,
igr2=1871,1872,1873,1931,1932,
&end
#
# 67 LEU MD1 67 LEU QB 6.00 (# 40535.1 Unique )
&rst
ixpk= 40535, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1036,1037,1038,
igr2=1031,1032,
&end
#
# 0 AMB m:40543a 0 AMB m:40543b 2.50 (# 40543.1 Double Ambig [HG 53 HG 142 HG 36] [MD2 53 MD1 142 MD2 142 MD2 36] )
&rst
ixpk= 40543, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 819,2228, 573,
igr2= 825, 826, 827,2230,2231,2232,2234,2235,2236, 579,
580, 581,
&end
#
# 0 AMB m:40557a 0 AMB m:40557b 2.40 (# 40557.1 Double Ambig [HG 16 HG 142 HG 36 HG 127] [MD2 16 MD2 142 MD1 16 MD1 36 MD2 127 MD2 55] )
&rst
ixpk= 40557, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 263,2228, 573,1981,
igr2= 269, 270, 271,2234,2235,2236, 265, 266, 267, 575,
576, 577,1987,1988,1989, 851, 852, 853,
&end
#
# 0 AMB m:40565a 0 AMB m:40565b 2.70 (# 40565.1 Double Ambig [HG 53 HG 127 HG 36] [MD1 53 MD1 127 MD1 55 MG1 64 MG1 129 MG2 129] )
&rst
ixpk= 40565, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 819,1981, 573,
igr2= 821, 822, 823,1983,1984,1985, 847, 848, 849, 991,
992, 993,2006,2007,2008,2010,2011,2012,
&end
#
# 38 LEU HG 0 AMB m:40573 2.80 (# 40573.1 Single Ambig [MD2 38 MD1 38 MG2 13 MD1 112] )
&rst
ixpk= 40573, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 605, 606, 607, 601, 602, 603, 221, 222, 223,1754,
1755,1756,
&end
#
# 4 GLY QA 0 AMB m:40579 6.00 (# 40579.1 Single Ambig [HD 6 HE 3] )
&rst
ixpk= 40579, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 60, 61,
igr2= 97, 105, 48, 52,
&end
#
# 15 ALA MB 0 AMB m:40598 6.00 (# 40598.1 Single Ambig [QG 19 QG 41 HB 13] )
&rst
ixpk= 40598, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 250, 251, 252,
igr2= 309, 310, 658, 659, 215,
&end
#
# 17 ALA HA 0 AMB m:40603 6.00 (# 40603.1 Single Ambig [MG2 29 MB 21 HN 30 MD2 14 QG1 34 MG2 34 MD1 16 MD 34] )
&rst
ixpk= 40603, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
igr2= 462, 463, 464, 336, 337, 338, 475, 240, 241, 242,
538, 539, 534, 535, 536, 265, 266, 267, 541, 542,
543,
&end
#
# 17 ALA HA 0 AMB m:40613 6.00 (# 40613.1 Single Ambig [MD2 36 MD1 36 MD2 16 MD1 16 MG2 13] )
&rst
ixpk= 40613, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr2= 579, 580, 581, 575, 576, 577, 269, 270, 271, 265,
266, 267, 221, 222, 223,
&end
#
# 17 ALA HA 0 AMB m:40620 6.00 (# 40620.1 Single Ambig [QB 36 HG 36 QG1 34 HG 16] )
&rst
ixpk= 40620, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 570, 571, 573, 538, 539, 263,
&end
#
# 17 ALA HA 20 GLU QG 5.50 (# 40626.1 Unique )
&rst
ixpk= 40626, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 324, 325,
&end
#
# 17 ALA MB 0 AMB m:40639 4.10 (# 40639.1 Single Ambig [QA 37 HA 18] )
&rst
ixpk= 40639, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 279, 280, 281,
igr2= 587, 588, 287,
&end
#
# 17 ALA MB 0 AMB m:40643 6.00 (# 40643.1 Single Ambig [HN 36 HN 21] )
&rst
ixpk= 40643, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 279, 280, 281,
igr2= 566, 332,
&end
#
# 120 ALA HA 0 AMB m:40651 5.20 (# 40651.1 Single Ambig [MD1 124 MD2 124] )
&rst
ixpk= 40651, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2=1936,1937,1938,1940,1941,1942,
&end
#
# 120 ALA HA 112 LEU QB 5.80 (# 40655.1 Unique )
&rst
ixpk= 40655, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1749,1750,
&end
#
# 120 ALA HA 0 AMB m:40663 5.20 (# 40663.1 Single Ambig [HG 124 QB 122] )
&rst
ixpk= 40663, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1934,1891,1892,
&end
#
# 120 ALA HA 0 AMB m:40667 6.00 (# 40667.1 Single Ambig [MB 121 QB 32] )
&rst
ixpk= 40667, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=1881,1882,1883, 500, 501,
&end
#
# 120 ALA MB 113 ILE HN 6.00 (# 40675.1 Unique )
&rst
ixpk= 40675, nxpk= 0, iat= -1,1764, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1871,1872,1873,
&end
#
# 81 THR MG2 83 ARG QB 6.00 (# 40682.1 Unique )
&rst
ixpk= 40682, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1257,1258,1259,
igr2=1283,1284,
&end
#
# 81 THR MG2 29 ILE HN 4.30 (# 40699.1 Unique )
&rst
ixpk= 40699, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1257,1258,1259,
&end
#
# 80 TYR QB 0 AMB m:40702 6.00 (# 40702.1 Single Ambig [HB 29 MG2 81 QB 85] )
&rst
ixpk= 40702, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1234,1235,
igr2= 460,1257,1258,1259,1317,1318,
&end
#
# 80 TYR QB 0 AMB m:40707 6.00 (# 40707.1 Single Ambig [HB 29 QB 85 MG2 81] )
&rst
ixpk= 40707, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1234,1235,
igr2= 460,1317,1318,1257,1258,1259,
&end
#
# 80 TYR QB 85 LYS QB 6.00 (# 40712.1 Unique )
&rst
ixpk= 40712, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1234,1235,
igr2=1317,1318,
&end
#
# 80 TYR QB 0 AMB m:40715 6.00 (# 40715.1 Single Ambig [QB 85 QG1 34] )
&rst
ixpk= 40715, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1234,1235,
igr2=1317,1318, 538, 539,
&end
#
# 80 TYR QB 85 LYS QB 4.70 (# 40719.1 Unique )
&rst
ixpk= 40719, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1234,1235,
igr2=1317,1318,
&end
#
# 80 TYR QB 85 LYS QB 4.70 (# 40722.1 Unique )
&rst
ixpk= 40722, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1234,1235,
igr2=1317,1318,
&end
#
# 80 TYR QB 85 LYS HA 6.00 (# 40725.1 Unique )
&rst
ixpk= 40725, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1234,1235,
&end
#
# 80 TYR QB 85 LYS HA 6.00 (# 40728.1 Unique )
&rst
ixpk= 40728, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1234,1235,
&end
#
# 103 VAL HA 107 HIS QB 5.30 (# 40734.1 Unique )
&rst
ixpk= 40734, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=1668,1669,
&end
#
# 103 VAL MG2 0 AMB m:40753 6.00 (# 40753.1 Single Ambig [HA 7 HA 5] )
&rst
ixpk= 40753, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1622,1623,1624,
igr2= 111, 67,
&end
#
# 103 VAL MG1 0 AMB m:40768 5.80 (# 40768.1 Single Ambig [HN 95 HE1 107] )
&rst
ixpk= 40768, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1618,1619,1620,
igr2=1481,1673,
&end
#
# 103 VAL MG1 0 AMB m:40772 5.40 (# 40772.1 Single Ambig [HN 107 HD 102] )
&rst
ixpk= 40772, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1=1618,1619,1620,
igr2=1664,1599,1608,
&end
#
# 102 TYR QB 103 VAL MG2 6.00 (# 40782.1 Unique )
&rst
ixpk= 40782, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1595,1596,
igr2=1622,1623,1624,
&end
#
# 119 VAL HA 0 AMB m:40789 6.00 (# 40789.1 Single Ambig [QB 32 MB 121] )
&rst
ixpk= 40789, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2= 500, 501,1881,1882,1883,
&end
#
# 119 VAL HA 0 AMB m:40793 6.00 (# 40793.1 Single Ambig [MB 120 MG2 31] )
&rst
ixpk= 40793, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1871,1872,1873, 488, 489, 490,
&end
#
# 119 VAL HB 0 AMB m:40797 3.90 (# 40797.1 Single Ambig [HA 119 HA 64] )
&rst
ixpk= 40797, nxpk= 0, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1853, 987,
&end
#
# 119 VAL MG2 0 AMB m:40808 6.00 (# 40808.1 Single Ambig [HA 120 HA 31] )
&rst
ixpk= 40808, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1861,1862,1863,
igr2=1869, 484,
&end
#
# 119 VAL MG2 122 ARG HN 5.40 (# 40815.1 Unique )
&rst
ixpk= 40815, nxpk= 0, iat= -1,1887, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1861,1862,1863,
&end
#
# 119 VAL MG2 122 ARG QB 6.00 (# 40818.1 Unique; orig = 4.10 )
&rst
ixpk= 40818, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1861,1862,1863,
igr2=1891,1892,
&end
#
# 119 VAL MG1 67 LEU QB 3.60 (# 40821.1 Unique )
&rst
ixpk= 40821, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1857,1858,1859,
igr2=1031,1032,
&end
#
# 119 VAL MG1 0 AMB m:40831 4.50 (# 40831.1 Single Ambig [HB 123 QB 63] )
&rst
ixpk= 40831, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1857,1858,1859,
igr2=1915, 974, 975,
&end
#
# 119 VAL MG1 67 LEU HN 5.80 (# 40835.1 Unique )
&rst
ixpk= 40835, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1857,1858,1859,
&end
#
# 119 VAL MG1 0 AMB m:40838 6.00 (# 40838.1 Single Ambig [QD2 126 HN 124] )
&rst
ixpk= 40838, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1857,1858,1859,
igr2=1969,1970,1927,
&end
#
# 37 GLY QA 0 AMB m:40851 4.90 (# 40851.1 Single Ambig [MD1 16 MG2 13 MD2 16 MD2 38 MD2 36] )
&rst
ixpk= 40851, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 587, 588,
igr2= 265, 266, 267, 221, 222, 223, 269, 270, 271, 605,
606, 607, 579, 580, 581,
&end
#
# 37 GLY QA 0 AMB m:40858 4.70 (# 40858.1 Single Ambig [MD1 16 MD2 16 MG2 13 MD2 38] )
&rst
ixpk= 40858, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1= 587, 588,
igr2= 265, 266, 267, 269, 270, 271, 221, 222, 223, 605,
606, 607,
&end
#
# 37 GLY QA 0 AMB m:40864 5.80 (# 40864.1 Single Ambig [QB 40 QB 41 QB 36] )
&rst
ixpk= 40864, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr1= 587, 588,
igr2= 631, 632, 655, 656, 570, 571,
&end
#
# 37 GLY QA 0 AMB m:40874 5.80 (# 40874.1 Single Ambig [QB 38 QG 20 QB 12] )
&rst
ixpk= 40874, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr1= 587, 588,
igr2= 596, 597, 324, 325, 193, 194,
&end
#
# 56 GLY QA 55 LEU HA 6.00 (# 40887.1 Unique )
&rst
ixpk= 40887, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 859, 860,
&end
#
# 56 GLY QA 59 LYS QB 5.60 (# 40890.1 Unique )
&rst
ixpk= 40890, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 859, 860,
igr2= 894, 895,
&end
#
# 54 GLY QA 53 LEU HN 6.00 (# 40894.1 Unique )
&rst
ixpk= 40894, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 833, 834,
&end
#
# 54 GLY QA 55 LEU HG 6.00 (# 40897.1 Unique )
&rst
ixpk= 40897, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 833, 834,
&end
#
# 54 GLY QA 0 AMB m:40900 5.60 (# 40900.1 Single Ambig [MD2 55 MD1 55 MG2 129] )
&rst
ixpk= 40900, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.07, r4= 9.57,
igr1= 833, 834,
igr2= 851, 852, 853, 847, 848, 849,2010,2011,2012,
&end
#
# 25 GLY QA 24 LEU HN 6.00 (# 40905.1 Unique )
&rst
ixpk= 40905, nxpk= 0, iat= -1, 385, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 406, 407,
&end
#
# 71 GLY QA 26 HIS HD2 6.00 (# 40908.1 Unique; orig = 4.50 )
&rst
ixpk= 40908, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1098,1099,
&end
#
# 33 HIS HA 0 AMB m:40914 4.80 (# 40914.1 Single Ambig [MG1 64 MD 68 HN 30 MG2 29 MG1 119 MB 21 QG1 34 MG2 34 MD 34] )
&rst
ixpk= 40914, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,
igr2= 991, 992, 993,1059,1060,1061, 475, 462, 463, 464,
1857,1858,1859, 336, 337, 338, 538, 539, 534, 535,
536, 541, 542, 543,
&end
#
# 0 AMB m:40925a 0 AMB m:40925b 5.00 (# 40925.1 Double Ambig [QB 33 QB 107] [HA 17 HA 103 QB 91] )
&rst
ixpk= 40925, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 515, 516,1668,1669,
igr2= 277,1614,1430,1431,
&end
#
# 0 AMB m:40930a 0 AMB m:40930b 6.00 (# 40930.1 Double Ambig [QB 107 QB 33] [MD1 110 MD2 36 MG2 68 MD2 139] )
&rst
ixpk= 40930, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1668,1669, 515, 516,
igr2=1728,1729,1730, 579, 580, 581,1052,1053,1054,2179,
2180,2181,
&end
#
# 0 AMB m:40936a 0 AMB m:40936b 6.00 (# 40936.1 Double Ambig [QB 107 QB 33] [MD1 110 MD2 36 MD2 139 MG2 68] )
&rst
ixpk= 40936, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1668,1669, 515, 516,
igr2=1728,1729,1730, 579, 580, 581,2179,2180,2181,1052,
1053,1054,
&end
#
# 0 AMB m:40942a 0 AMB m:40942b 6.00 (# 40942.1 Double Ambig [QB 33 QB 107] [QG1 34 QB 36 QG1 108 QB 110] )
&rst
ixpk= 40942, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1= 515, 516,1668,1669,
igr2= 538, 539, 570, 571,1691,1692,1723,1724,
&end
#
# 33 HIS QB 0 AMB m:40951 4.30 (# 40951.1 Single Ambig [QG1 29 HN 32] )
&rst
ixpk= 40951, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 515, 516,
igr2= 466, 467, 496,
&end
#
# 107 HIS QB 0 AMB m:40955 6.00 (# 40955.1 Single Ambig [HN 94 HN 91] )
&rst
ixpk= 40955, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1668,1669,
igr2=1466,1426,
&end
#
# 33 HIS HA 17 ALA MB 5.60 (# 40959.1 Unique )
&rst
ixpk= 40959, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 279, 280, 281,
&end
#
# 33 HIS HA 0 AMB m:40962 5.40 (# 40962.1 Single Ambig [QG 32 QB 32 HB 119] )
&rst
ixpk= 40962, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2= 503, 504, 500, 501,1855,
&end
#
# 33 HIS HA 32 GLU QG 6.00 (# 40967.1 Unique )
&rst
ixpk= 40967, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 503, 504,
&end
#
# 145 ASN QB 0 AMB m:40970 6.00 (# 40970.1 Single Ambig [MD1 141 MD2 141 MD1 142] )
&rst
ixpk= 40970, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=2262,2263,
igr2=2211,2212,2213,2215,2216,2217,2230,2231,2232,
&end
#
# 52 ALA HA 0 AMB m:40975 5.80 (# 40975.1 Single Ambig [HA 51 HA 48] )
&rst
ixpk= 40975, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 787, 736,
&end
#
# 52 ALA HA 0 AMB m:40979 6.00 (# 40979.1 Single Ambig [HA 49 HA 50] )
&rst
ixpk= 40979, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 758, 768,
&end
#
# 0 AMB m:40988a 0 AMB m:40988b 3.60 (# 40988.1 Double Ambig [MB 52 MB 47] [QB 137 QB 51] )
&rst
ixpk= 40988, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 806, 807, 808, 728, 729, 730,
igr2=2137,2138, 789, 790,
&end
#
# 0 AMB m:40993a 0 AMB m:40993b 4.70 (# 40993.1 Double Ambig [MB 121 MB 47] [QG 117 HB 39 QB 112] )
&rst
ixpk= 40993, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
igr1=1881,1882,1883, 728, 729, 730,
igr2=1836,1837, 615,1749,1750,
&end
#
# 0 AMB m:40998a 0 AMB m:40998b 6.00 (# 40998.1 Double Ambig [MB 121 MB 52] [HA 119 HA 138] )
&rst
ixpk= 40998, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1881,1882,1883, 806, 807, 808,
igr2=1853,2152,
&end
#
# 0 AMB m:41005a 0 AMB m:41005b 4.50 (# 41005.1 Double Ambig [MB 47 MB 121 MB 52] [QB 48 QB 124 QB 122 HG 50] )
&rst
ixpk= 41005, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
igr1= 728, 729, 730,1881,1882,1883, 806, 807, 808,
igr2= 738, 739,1931,1932,1891,1892, 773,
&end
#
# 0 AMB m:41015a 0 AMB m:41015b 4.80 (# 41015.1 Double Ambig [MB 121 MB 52] [QB 122 QB 53 HG 124] )
&rst
ixpk= 41015, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.46, r4= 8.96,
igr1=1881,1882,1883, 806, 807, 808,
igr2=1891,1892, 816, 817,1934,
&end
#
# 0 AMB m:41020a 0 AMB m:41020b 5.40 (# 41020.1 Double Ambig [MB 121 MB 47] [QG 117 QB 51] )
&rst
ixpk= 41020, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.17, r4= 9.67,
igr1=1881,1882,1883, 728, 729, 730,
igr2=1836,1837, 789, 790,
&end
#
# 0 AMB m:41024a 0 AMB m:41024b 4.00 (# 41024.1 Double Ambig [MB 47 MB 121] [HA 43 HA 117] )
&rst
ixpk= 41024, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 728, 729, 730,1881,1882,1883,
igr2= 675,1831,
&end
#
# 44 GLY QA 0 AMB m:41028 4.80 (# 41028.1 Single Ambig [QG1 45 QB 106] )
&rst
ixpk= 41028, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 690, 691,
igr2= 705, 706,1653,1654,
&end
#
# 44 GLY QA 0 AMB m:41032 6.00 (# 41032.1 Single Ambig [MD2 38 MD 45 MG2 45 MD 108] )
&rst
ixpk= 41032, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 690, 691,
igr2= 605, 606, 607, 708, 709, 710, 701, 702, 703,1694,
1695,1696,
&end
#
# 44 GLY QA 0 AMB m:41038 5.20 (# 41038.1 Single Ambig [QG1 45 MB 47 QB 106] )
&rst
ixpk= 41038, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 690, 691,
igr2= 705, 706, 728, 729, 730,1653,1654,
&end
#
# 44 GLY QA 105 THR MG2 6.00 (# 41047.1 Unique )
&rst
ixpk= 41047, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 690, 691,
igr2=1641,1642,1643,
&end
#
# 44 GLY QA 9 ARG QB 4.10 (# 41050.1 Unique )
&rst
ixpk= 41050, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 690, 691,
igr2= 142, 143,
&end
#
# 118 GLY QA 117 GLU HN 6.00 (# 41053.1 Unique )
&rst
ixpk= 41053, nxpk= 0, iat= -1,1829, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1846,1847,
&end
#
# 0 AMB m:41062a 0 AMB m:41062b 3.50 (# 41062.1 Double Ambig [HA 138 HA 13] [HB 138 QB 12 QB 137] )
&rst
ixpk= 41062, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=2152, 213,
igr2=2154, 193, 194,2137,2138,
&end
#
# 0 AMB m:41067a 0 AMB m:41067b 4.10 (# 41067.1 Double Ambig [HA 13 HA 87 HA 138] [QB 41 HG 90 QB 115 HG 16 QB 40 HB 45 QB 142 QB 114] )
&rst
ixpk= 41067, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 213,1359,2152,
igr2= 655, 656,1414,1811,1812, 263, 631, 632, 699,2225,
2226,1787,1788,
&end
#
# 0 AMB m:41077a 0 AMB m:41077b 5.20 (# 41077.1 Double Ambig [HA 64 HA 13 HA 87] [QB 32 HB 119 HG 67 HG 14 QG 32 QB 122 QB 114] )
&rst
ixpk= 41077, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1= 987, 213,1359,
igr2= 500, 501,1855,1034, 234, 503, 504,1891,1892,1787,
1788,
&end
#
# 0 AMB m:41086a 0 AMB m:41086b 3.60 (# 41086.1 Double Ambig [HA 64 HA 13 HA 87] [HB 64 QG 41 QB 16 QB 12 QG 115 QB 86 QG 63] )
&rst
ixpk= 41086, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 987, 213,1359,
igr2= 989, 658, 659, 260, 261, 193, 194,1814,1815,1339,
1340, 977, 978,
&end
#
# 0 AMB m:41095a 0 AMB m:41095b 2.80 (# 41095.1 Double Ambig [HA 87 HA 64] [QB 90 QB 63 HB 123] )
&rst
ixpk= 41095, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1359, 987,
igr2=1411,1412, 974, 975,1915,
&end
#
# 0 AMB m:41100a 0 AMB m:41100b 5.10 (# 41100.1 Double Ambig [HA 13 HA 138 HA 87] [HA 38 HA 16 HA 137 HA 14 QB 91 HA 17] )
&rst
ixpk= 41100, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1= 213,2152,1359,
igr2= 594, 258,2135, 229,1430,1431, 277,
&end
#
# 0 AMB m:41108a 0 AMB m:41108b 6.00 (# 41108.1 Double Ambig [HA 87 HA 13 HA 138] [HA 84 HA 10 HA 41 HA 49] )
&rst
ixpk= 41108, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1359, 213,2152,
igr2=1305, 164, 653, 758,
&end
#
# 0 AMB m:41114a 0 AMB m:41114b 4.00 (# 41114.1 Double Ambig [HA 13 HA 138 HA 87 HA 64] [QA 37 HA 106 QA 42 HA 115 HA 61] )
&rst
ixpk= 41114, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 213,2152,1359, 987,
igr2= 587, 588,1651, 668, 669,1809, 933,
&end
#
# 0 AMB m:41122a 0 AMB m:41122b 4.90 (# 41122.1 Double Ambig [QB 86 HB 138] [QB 86 QB 106 QB 139] )
#This appears to be self-referential: ignoring
#
# 0 AMB m:41127a 0 AMB m:41127b 3.60 (# 41127.1 Double Ambig [QB 86 HB 138] [QB 86 QB 106] )
#This appears to be self-referential: ignoring
#
# 0 AMB m:41131a 0 AMB m:41131b 6.00 (# 41131.1 Double Ambig [HB 138 QB 12 QB 86] [MB 49 MG1 13 MG2 87] )
&rst
ixpk= 41131, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.32, r4=11.82,
igr1=2154, 193, 194,1339,1340,
igr2= 760, 761, 762, 217, 218, 219,1367,1368,1369,
&end
#
# 0 AMB m:41136 137 GLN QB 4.30 (# 41136.1 Single Ambig [MD2 53 MG2 138] )
&rst
ixpk= 41136, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 825, 826, 827,2160,2161,2162,
igr2=2137,2138,
&end
#
# 0 AMB m:41160a 0 AMB m:41160b 5.40 (# 41160.1 Double Ambig [MD1 141 MG2 138 MD2 53] [HN 144 HN 140 HN 145 HN 55] )
&rst
ixpk= 41160, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.81, r4=10.31,
igr1=2211,2212,2213,2160,2161,2162, 825, 826, 827,
igr2=2247,2185,2258, 838,
&end
#
# 138 VAL MG1 0 AMB m:41170 4.10 (# 41170.1 Single Ambig [QB 109 QB 137 HG 110] )
&rst
ixpk= 41170, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=2156,2157,2158,
igr2=1704,1705,2137,2138,1726,
&end
#
# 138 VAL MG1 0 AMB m:41175 4.30 (# 41175.1 Single Ambig [MB 46 QB 109] )
&rst
ixpk= 41175, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=2156,2157,2158,
igr2= 718, 719, 720,1704,1705,
&end
#
# 138 VAL MG1 0 AMB m:41179 3.00 (# 41179.1 Single Ambig [HA 106 HA 46] )
&rst
ixpk= 41179, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2156,2157,2158,
igr2=1651, 716,
&end
#
# 138 VAL MG1 0 AMB m:41189 6.00 (# 41189.1 Single Ambig [HA 142 HA 107] )
&rst
ixpk= 41189, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2156,2157,2158,
igr2=2223,1666,
&end
#
# 138 VAL MG1 0 AMB m:41193 4.70 (# 41193.1 Single Ambig [HN 46 HN 142 HN 137] )
&rst
ixpk= 41193, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1=2156,2157,2158,
igr2= 714,2221,2133,
&end
#
# 138 VAL MG1 0 AMB m:41198 6.00 (# 41198.1 Single Ambig [HN 140 HN 144] )
&rst
ixpk= 41198, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2156,2157,2158,
igr2=2185,2247,
&end
#
# 137 GLN HA 0 AMB m:41202 4.10 (# 41202.1 Single Ambig [QB 140 QB 137] )
&rst
ixpk= 41202, nxpk= 0, iat=2135, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=2189,2190,2137,2138,
&end
#
# 137 GLN HA 140 GLN QB 6.00 (# 41206.1 Unique )
&rst
ixpk= 41206, nxpk= 0, iat=2135, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2189,2190,
&end
#
# 40 ARG HA 39 VAL HN 6.00 (# 41209.1 Unique )
&rst
ixpk= 41209, nxpk= 0, iat= 629, 611, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 137 GLN QB 0 AMB m:41216 5.10 (# 41216.1 Single Ambig [MB 52 QB 141] )
&rst
ixpk= 41216, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1=2137,2138,
igr2= 806, 807, 808,2206,2207,
&end
#
# 137 GLN QB 137 GLN HN 2.80 (# 41225.1 Unique )
&rst
ixpk= 41225, nxpk= 0, iat= -1,2133, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2137,2138,
&end
#
# 0 AMB m:41228a 0 AMB m:41228b 5.40 (# 41228.1 Double Ambig [QB 41 QB 115] [HA 13 HA 87] )
&rst
ixpk= 41228, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 655, 656,1811,1812,
igr2= 213,1359,
&end
#
# 0 AMB m:41232a 0 AMB m:41232b 6.00 (# 41232.1 Double Ambig [QB 115 QB 41] [MB 121 MB 47] )
&rst
ixpk= 41232, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1811,1812, 655, 656,
igr2=1881,1882,1883, 728, 729, 730,
&end
#
# 0 AMB m:41236a 0 AMB m:41236b 6.00 (# 41236.1 Double Ambig [QB 115 QB 41] [MG2 31 MG2 105] )
&rst
ixpk= 41236, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1811,1812, 655, 656,
igr2= 488, 489, 490,1641,1642,1643,
&end
#
# 0 AMB m:41240a 0 AMB m:41240b 6.00 (# 41240.1 Double Ambig [QB 115 QB 41] [MG2 87 MG1 13] )
&rst
ixpk= 41240, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1811,1812, 655, 656,
igr2=1367,1368,1369, 217, 218, 219,
&end
#
# 137 GLN QB 53 LEU MD1 3.80 (# 41252.1 Unique )
&rst
ixpk= 41252, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=2137,2138,
igr2= 821, 822, 823,
&end
#
# 137 GLN QB 49 ALA MB 5.60 (# 41255.1 Unique )
&rst
ixpk= 41255, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=2137,2138,
igr2= 760, 761, 762,
&end
#
# 137 GLN QB 0 AMB m:41258 4.40 (# 41258.1 Single Ambig [MD2 53 MG2 138] )
&rst
ixpk= 41258, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=2137,2138,
igr2= 825, 826, 827,2160,2161,2162,
&end
#
# 137 GLN QB 0 AMB m:41262 6.00 (# 41262.1 Single Ambig [MB 52 QB 141] )
&rst
ixpk= 41262, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=2137,2138,
igr2= 806, 807, 808,2206,2207,
&end
#
# 137 GLN QB 0 AMB m:41266 5.60 (# 41266.1 Single Ambig [HG 53 QB 53] )
&rst
ixpk= 41266, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=2137,2138,
igr2= 819, 816, 817,
&end
#
# 137 GLN QB 137 GLN QB 3.00 (# 41270.1 Unique )
#This appears to be self-referential: ignoring
#
# 137 GLN QB 0 AMB m:41273 6.00 (# 41273.1 Single Ambig [MD2 53 MG2 138] )
&rst
ixpk= 41273, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2137,2138,
igr2= 825, 826, 827,2160,2161,2162,
&end
#
# 137 GLN QB 0 AMB m:41277 6.00 (# 41277.1 Single Ambig [MB 49 MB 134] )
&rst
ixpk= 41277, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2137,2138,
igr2= 760, 761, 762,2086,2087,2088,
&end
#
# 137 GLN QB 137 GLN QB 2.90 (# 41281.1 Unique )
#This appears to be self-referential: ignoring
#
# 23 ARG QB 0 AMB m:41287 5.00 (# 41287.1 Single Ambig [HA 20 HA 24] )
&rst
ixpk= 41287, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 365, 366,
igr2= 319, 387,
&end
#
# 135 ARG QB 110 LEU MD2 6.00 (# 41291.1 Unique )
&rst
ixpk= 41291, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2096,2097,
igr2=1732,1733,1734,
&end
#
# 135 ARG QB 0 AMB m:41294 5.20 (# 41294.1 Single Ambig [MD1 139 MD1 110 MD2 139] )
&rst
ixpk= 41294, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1=2096,2097,
igr2=2175,2176,2177,1728,1729,1730,2179,2180,2181,
&end
#
# 130 SER HA 0 AMB m:41299 6.00 (# 41299.1 Single Ambig [MG2 113 MD1 131]; orig = 4.30 )
&rst
ixpk= 41299, nxpk= 0, iat=2018, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1770,1771,1772,2036,2037,2038,
&end
#
# 130 SER HA 0 AMB m:41303 5.00 (# 41303.1 Single Ambig [MG1 129 MG2 129] )
&rst
ixpk= 41303, nxpk= 0, iat=2018, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=2006,2007,2008,2010,2011,2012,
&end
#
# 130 SER HA 0 AMB m:41307 6.00 (# 41307.1 Single Ambig [QB 124 QB 131] )
&rst
ixpk= 41307, nxpk= 0, iat=2018, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1931,1932,2031,2032,
&end
#
# 130 SER QB 0 AMB m:41311 6.00 (# 41311.1 Single Ambig [MD1 131 MG2 113] )
&rst
ixpk= 41311, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2020,2021,
igr2=2036,2037,2038,1770,1771,1772,
&end
#
# 130 SER QB 0 AMB m:41315 6.00 (# 41315.1 Single Ambig [MG1 129 MG2 129] )
&rst
ixpk= 41315, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2020,2021,
igr2=2006,2007,2008,2010,2011,2012,
&end
#
# 130 SER QB 0 AMB m:41319 6.00 (# 41319.1 Single Ambig [MD1 131 MG2 113] )
&rst
ixpk= 41319, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=2020,2021,
igr2=2036,2037,2038,1770,1771,1772,
&end
#
# 130 SER QB 0 AMB m:41323 6.00 (# 41323.1 Single Ambig [QB 131 HG 131 QB 133] )
&rst
ixpk= 41323, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=2020,2021,
igr2=2031,2032,2034,2064,2065,
&end
#
# 129 VAL HA 134 ALA HN 6.00 (# 41332.1 Unique )
&rst
ixpk= 41332, nxpk= 0, iat=2002,2082, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 129 VAL HA 133 LYS QB 4.00 (# 41335.1 Unique )
&rst
ixpk= 41335, nxpk= 0, iat=2002, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2064,2065,
&end
#
# 0 AMB m:41339a 0 AMB m:41339b 5.60 (# 41339.1 Double Ambig [MG2 129 MG1 119] [HA 125 HB 31] )
&rst
ixpk= 41339, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1=2010,2011,2012,1857,1858,1859,
igr2=1948, 486,
&end
#
# 0 AMB m:41343a 0 AMB m:41343b 3.90 (# 41343.1 Double Ambig [MG1 119 MG2 129] [HA 32 HA 124 QA 128] )
&rst
ixpk= 41343, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1857,1858,1859,2010,2011,2012,
igr2= 498,1929,1995,1996,
&end
#
# 129 VAL MG2 0 AMB m:41348 6.00 (# 41348.1 Single Ambig [HN 133 QD2 125] )
&rst
ixpk= 41348, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2010,2011,2012,
igr2=2060,1955,1956,
&end
#
# 129 VAL MG1 0 AMB m:41355 4.30 (# 41355.1 Single Ambig [QB 133 QB 124 QB 127] )
&rst
ixpk= 41355, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=2006,2007,2008,
igr2=2064,2065,1931,1932,1978,1979,
&end
#
# 129 VAL MG1 124 LEU QB 6.00 (# 41360.1 Unique )
&rst
ixpk= 41360, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2006,2007,2008,
igr2=1931,1932,
&end
#
# 129 VAL MG1 0 AMB m:41367 6.00 (# 41367.1 Single Ambig [QB 130 HA 125] )
&rst
ixpk= 41367, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2006,2007,2008,
igr2=2020,2021,1948,
&end
#
# 36 LEU MD1 0 AMB m:41371 4.90 (# 41371.1 Single Ambig [HN 65 HN 64] )
&rst
ixpk= 41371, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 575, 576, 577,
igr2=1001, 985,
&end
#
# 128 GLY QA 0 AMB m:41375 6.00 (# 41375.1 Single Ambig [MG2 129 MD2 55 MD1 55] )
&rst
ixpk= 41375, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1995,1996,
igr2=2010,2011,2012, 851, 852, 853, 847, 848, 849,
&end
#
# 128 GLY QA 0 AMB m:41380 5.60 (# 41380.1 Single Ambig [MG2 129 MD2 55 MD1 55] )
&rst
ixpk= 41380, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.07, r4= 9.57,
igr1=1995,1996,
igr2=2010,2011,2012, 851, 852, 853, 847, 848, 849,
&end
#
# 132 ASN HA 0 AMB m:41385 5.20 (# 41385.1 Single Ambig [QB 135 QB 131] )
&rst
ixpk= 41385, nxpk= 0, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=2096,2097,2031,2032,
&end
#
# 132 ASN HA 0 AMB m:41390 6.00 (# 41390.1 Single Ambig [MD1 131 MD2 131 MD1 139 MD1 110] )
&rst
ixpk= 41390, nxpk= 0, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr2=2036,2037,2038,2040,2041,2042,2175,2176,2177,1728,
1729,1730,
&end
#
# 132 ASN QB 0 AMB m:41396 5.80 (# 41396.1 Single Ambig [QB 133 QB 135] )
&rst
ixpk= 41396, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1=2050,2051,
igr2=2064,2065,2096,2097,
&end
#
# 123 VAL HA 0 AMB m:41407 5.60 (# 41407.1 Single Ambig [QB 122 HG 67 QB 127] )
&rst
ixpk= 41407, nxpk= 0, iat=1913, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr2=1891,1892,1034,1978,1979,
&end
#
# 123 VAL HA 0 AMB m:41412 6.00 (# 41412.1 Single Ambig [HG 124 QB 67] )
&rst
ixpk= 41412, nxpk= 0, iat=1913, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1934,1031,1032,
&end
#
# 123 VAL HB 0 AMB m:41420 6.00 (# 41420.1 Single Ambig [QB 124 QB 122 HG 67] )
&rst
ixpk= 41420, nxpk= 0, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=1931,1932,1891,1892,1034,
&end
#
# 123 VAL MG2 121 ALA HN 6.00 (# 41435.1 Unique )
&rst
ixpk= 41435, nxpk= 0, iat= -1,1877, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1921,1922,1923,
&end
#
# 123 VAL MG2 126 ASN QB 6.00 (# 41446.1 Unique )
&rst
ixpk= 41446, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1921,1922,1923,
igr2=1964,1965,
&end
#
# 123 VAL MG2 122 ARG QB 6.00 (# 41449.1 Unique )
&rst
ixpk= 41449, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1921,1922,1923,
igr2=1891,1892,
&end
#
# 123 VAL MG2 122 ARG HA 6.00 (# 41452.1 Unique )
&rst
ixpk= 41452, nxpk= 0, iat= -1,1889, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1921,1922,1923,
&end
#
# 123 VAL MG2 63 GLU QG 6.00 (# 41455.1 Unique )
&rst
ixpk= 41455, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1921,1922,1923,
igr2= 977, 978,
&end
#
# 123 VAL MG1 63 GLU HN 5.30 (# 41458.1 Unique )
&rst
ixpk= 41458, nxpk= 0, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1917,1918,1919,
&end
#
# 123 VAL MG1 127 LEU HN 5.10 (# 41461.1 Unique )
&rst
ixpk= 41461, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1917,1918,1919,
&end
#
# 87 VAL MG1 0 AMB m:41464 6.00 (# 41464.1 Single Ambig [HA 112 QB 91] )
&rst
ixpk= 41464, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1363,1364,1365,
igr2=1747,1430,1431,
&end
#
# 100 HIS QB 95 ALA MB 6.00 (# 41474.1 Unique )
&rst
ixpk= 41474, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1567,1568,
igr2=1485,1486,1487,
&end
#
# 100 HIS QB 0 AMB m:41477 6.00 (# 41477.1 Single Ambig [HN 104 MD2 98 MD1 110] )
&rst
ixpk= 41477, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1=1567,1568,
igr2=1628,1550,1551,1552,1728,1729,1730,
&end
#
# 100 HIS QB 102 TYR HD 6.00 (# 41488.1 Unique )
&rst
ixpk= 41488, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1567,1568,
igr2=1599,1608,
&end
#
# 100 HIS QB 0 AMB m:41491 6.00 (# 41491.1 Single Ambig [HN 99 HN 95] )
&rst
ixpk= 41491, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1567,1568,
igr2=1556,1481,
&end
#
# 88 ILE MD 0 AMB m:41508 5.60 (# 41508.1 Single Ambig [HG 14 HG 112] )
&rst
ixpk= 41508, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1386,1387,1388,
igr2= 234,1752,
&end
#
# 88 ILE MD 0 AMB m:41512 5.70 (# 41512.1 Single Ambig [QG1 34 HB 34] )
&rst
ixpk= 41512, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
igr1=1386,1387,1388,
igr2= 538, 539, 532,
&end
#
# 88 ILE MG2 0 AMB m:41520 6.00 (# 41520.1 Single Ambig [ME 2 QG1 108 QG1 34] )
&rst
ixpk= 41520, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
igr1=1379,1380,1381,
igr2= 32, 33, 34,1691,1692, 538, 539,
&end
#
# 88 ILE MG2 0 AMB m:41529 6.00 (# 41529.1 Single Ambig [QA 4 HA 92 HA 84] )
&rst
ixpk= 41529, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1379,1380,1381,
igr2= 60, 61,1439,1305,
&end
#
# 88 ILE QG1 85 LYS HA 5.20 (# 41546.1 Unique )
&rst
ixpk= 41546, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1383,1384,
&end
#
# 0 AMB m:41549a 0 AMB m:41549b 4.10 (# 41549.1 Double Ambig [QG1 88 QB 86] [MD 34 MG1 87 MD1 90 MG2 34 MD2 14] )
&rst
ixpk= 41549, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61,
igr1=1383,1384,1339,1340,
igr2= 541, 542, 543,1363,1364,1365,1416,1417,1418, 534,
535, 536, 240, 241, 242,
&end
#
# 66 SER QB 0 AMB m:41556 6.00 (# 41556.1 Single Ambig [MD2 67 MD1 67 MD1 24 MG1 119] )
&rst
ixpk= 41556, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1020,1021,
igr2=1040,1041,1042,1036,1037,1038, 394, 395, 396,1857,
1858,1859,
&end
#
# 66 SER QB 0 AMB m:41562 6.00 (# 41562.1 Single Ambig [QB 67 QB 62] )
&rst
ixpk= 41562, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1020,1021,
igr2=1031,1032, 952, 953,
&end
#
# 66 SER QB 68 ILE HN 6.00 (# 41566.1 Unique )
&rst
ixpk= 41566, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1020,1021,
&end
#
# 93 ASP QB 90 LEU QB 6.00 (# 41569.1 Unique )
&rst
ixpk= 41569, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1458,1459,
igr2=1411,1412,
&end
#
# 93 ASP QB 90 LEU QB 6.00 (# 41572.1 Unique )
&rst
ixpk= 41572, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1458,1459,
igr2=1411,1412,
&end
#
# 93 ASP QB 97 LYS QB 6.00 (# 41579.1 Unique )
&rst
ixpk= 41579, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1458,1459,
igr2=1519,1520,
&end
#
# 93 ASP QB 0 AMB m:41583 6.00 (# 41583.1 Single Ambig [QB 96 HG 90 QB 97] )
&rst
ixpk= 41583, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1458,1459,
igr2=1495,1496,1414,1519,1520,
&end
#
# 93 ASP QB 0 AMB m:41588 6.00 (# 41588.1 Single Ambig [QB 96 QB 97 HG 90] )
&rst
ixpk= 41588, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1458,1459,
igr2=1495,1496,1519,1520,1414,
&end
#
# 93 ASP QB 0 AMB m:41593 6.00 (# 41593.1 Single Ambig [QB 92 QB 90] )
&rst
ixpk= 41593, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1458,1459,
igr2=1441,1442,1411,1412,
&end
#
# 93 ASP QB 0 AMB m:41597 6.00 (# 41597.1 Single Ambig [QB 92 QB 90] )
&rst
ixpk= 41597, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1458,1459,
igr2=1441,1442,1411,1412,
&end
#
# 93 ASP QB 0 AMB m:41607 6.00 (# 41607.1 Single Ambig [HA 94 HA 92 HA 97] )
&rst
ixpk= 41607, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1458,1459,
igr2=1468,1439,1517,
&end
#
# 93 ASP QB 0 AMB m:41612 6.00 (# 41612.1 Single Ambig [HA 94 HA 92 HA 97] )
&rst
ixpk= 41612, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1458,1459,
igr2=1468,1439,1517,
&end
#
# 105 THR HA 0 AMB m:41617 6.00 (# 41617.1 Single Ambig [HG 38 QG 106 QB 9 QB 106] )
&rst
ixpk= 41617, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2= 599,1656,1657, 142, 143,1653,1654,
&end
#
# 31 THR HA 0 AMB m:41623 6.00 (# 41623.1 Single Ambig [HG 112 HB 119 QG 32 QB 83] )
&rst
ixpk= 41623, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1752,1855, 503, 504,1283,1284,
&end
#
# 105 THR HA 0 AMB m:41629 6.00 (# 41629.1 Single Ambig [QB 106 QG1 45] )
&rst
ixpk= 41629, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1653,1654, 705, 706,
&end
#
# 0 AMB m:41633a 0 AMB m:41633b 4.50 (# 41633.1 Double Ambig [MG2 31 MG2 105] [QB 115 QB 9 QG1 108] )
&rst
ixpk= 41633, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 488, 489, 490,1641,1642,1643,
igr2=1811,1812, 142, 143,1691,1692,
&end
#
# 105 THR MG2 0 AMB m:41638 6.00 (# 41638.1 Single Ambig [QB 9 QG 106] )
&rst
ixpk= 41638, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1641,1642,1643,
igr2= 142, 143,1656,1657,
&end
#
# 31 THR MG2 0 AMB m:41642 4.60 (# 41642.1 Single Ambig [HB 87 QG 115] )
&rst
ixpk= 41642, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 488, 489, 490,
igr2=1361,1814,1815,
&end
#
# 31 THR MG2 0 AMB m:41646 4.60 (# 41646.1 Single Ambig [QG 115 QB 112] )
&rst
ixpk= 41646, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 488, 489, 490,
igr2=1814,1815,1749,1750,
&end
#
# 0 AMB m:41657a 0 AMB m:41657b 4.30 (# 41657.1 Double Ambig [MG2 31 MG2 105] [QB 83 QB 9] )
&rst
ixpk= 41657, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 488, 489, 490,1641,1642,1643,
igr2=1283,1284, 142, 143,
&end
#
# 105 THR MG2 9 ARG QB 4.50 (# 41661.1 Unique )
&rst
ixpk= 41661, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1641,1642,1643,
igr2= 142, 143,
&end
#
# 0 AMB m:41664a 0 AMB m:41664b 4.70 (# 41664.1 Double Ambig [MG2 105 MG2 31] [QA 44 QA 118 HA 9] )
&rst
ixpk= 41664, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.28, r4= 8.78,
igr1=1641,1642,1643, 488, 489, 490,
igr2= 690, 691,1846,1847, 140,
&end
#
# 105 THR MG2 0 AMB m:41669 6.00 (# 41669.1 Single Ambig [HN 9 HN 11 HN 112] )
&rst
ixpk= 41669, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1641,1642,1643,
igr2= 138, 172,1745,
&end
#
# 94 GLU HA 107 HIS HD2 6.00 (# 41678.1 Unique )
&rst
ixpk= 41678, nxpk= 0, iat=1468,1677, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB m:41685a 0 AMB m:41685b 5.80 (# 41685.1 Double Ambig [HA 94 HA 92] [MD1 110 MD2 139 HN 104 MD2 98] )
&rst
ixpk= 41685, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.56, r4=10.06,
igr1=1468,1439,
igr2=1728,1729,1730,2179,2180,2181,1628,1550,1551,1552,
&end
#
# 0 AMB m:41691a 0 AMB m:41691b 6.00 (# 41691.1 Double Ambig [HA 94 HA 92] [QB 110 QB 98 QB 96] )
&rst
ixpk= 41691, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1468,1439,
igr2=1723,1724,1541,1542,1495,1496,
&end
#
# 94 GLU HA 97 LYS QB 5.40 (# 41700.1 Unique )
&rst
ixpk= 41700, nxpk= 0, iat=1468, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1519,1520,
&end
#
# 92 MET QB 103 VAL MG2 6.00 (# 41703.1 Unique )
&rst
ixpk= 41703, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1441,1442,
igr2=1622,1623,1624,
&end
#
# 92 MET QB 89 GLU HA 5.80 (# 41706.1 Unique )
&rst
ixpk= 41706, nxpk= 0, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1441,1442,
&end
#
# 92 MET ME 5 ARG HN 4.80 (# 41709.1 Unique )
&rst
ixpk= 41709, nxpk= 0, iat= -1, 65, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1448,1449,1450,
&end
#
# 67 LEU HA 0 AMB m:41712 6.00 (# 41712.1 Single Ambig [MG2 123 MG2 68 MG2 64] )
&rst
ixpk= 41712, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2=1921,1922,1923,1052,1053,1054, 995, 996, 997,
&end
#
# 67 LEU MD1 122 ARG QB 6.00 (# 41732.1 Unique )
&rst
ixpk= 41732, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1036,1037,1038,
igr2=1891,1892,
&end
#
# 67 LEU MD1 122 ARG HA 6.00 (# 41738.1 Unique )
&rst
ixpk= 41738, nxpk= 0, iat= -1,1889, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1036,1037,1038,
&end
#
# 0 AMB m:41741a 0 AMB m:41741b 4.10 (# 41741.1 Double Ambig [HB 34 HB 108] [HA 31 HA 34 QB 91] )
&rst
ixpk= 41741, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 532,1685,
igr2= 484, 530,1430,1431,
&end
#
# 0 AMB m:41746a 0 AMB m:41746b 6.00 (# 41746.1 Double Ambig [HB 34 HB 108] [HB 31 HB 105 HA 33] )
&rst
ixpk= 41746, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 532,1685,
igr2= 486,1639, 513,
&end
#
# 108 ILE QG1 0 AMB m:41751 5.00 (# 41751.1 Single Ambig [MG2 108 MG2 34] )
&rst
ixpk= 41751, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1691,1692,
igr2=1687,1688,1689, 534, 535, 536,
&end
#
# 108 ILE QG1 0 AMB m:41755 5.60 (# 41755.1 Single Ambig [QB 91 HA 103] )
&rst
ixpk= 41755, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1691,1692,
igr2=1430,1431,1614,
&end
#
# 108 ILE QG1 0 AMB m:41759 5.10 (# 41759.1 Single Ambig [HA 105 HA 88] )
&rst
ixpk= 41759, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1691,1692,
igr2=1637,1375,
&end
#
# 108 ILE QG1 0 AMB m:41763 6.00 (# 41763.1 Single Ambig [QB 107 HA 10 HA 109] )
&rst
ixpk= 41763, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1691,1692,
igr2=1668,1669, 164,1702,
&end
#
# 108 ILE QG1 107 HIS HN 6.00 (# 41768.1 Unique )
&rst
ixpk= 41768, nxpk= 0, iat= -1,1664, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1691,1692,
&end
#
# 108 ILE MG2 0 AMB m:41771 3.30 (# 41771.1 Single Ambig [QG1 108 HG 112] )
&rst
ixpk= 41771, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1687,1688,1689,
igr2=1691,1692,1752,
&end
#
# 108 ILE MD 11 GLN HN 6.00 (# 41778.1 Unique )
&rst
ixpk= 41778, nxpk= 0, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1694,1695,1696,
&end
#
# 108 ILE MD 0 AMB m:41781 6.00 (# 41781.1 Single Ambig [HN 107 HD 102 QE2 11] )
&rst
ixpk= 41781, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1694,1695,1696,
igr2=1664,1599,1608, 184, 185,
&end
#
# 0 AMB m:41792a 0 AMB m:41792b 2.90 (# 41792.1 Double Ambig [MD 34 MD 108] [HB 34 HB 108] )
&rst
ixpk= 41792, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 541, 542, 543,1694,1695,1696,
igr2= 532,1685,
&end
#
# 0 AMB m:41799a 0 AMB m:41799b 4.80 (# 41799.1 Double Ambig [MD 108 MD 34] [MG2 105 MG2 31 HB 103 HB 29] )
&rst
ixpk= 41799, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1=1694,1695,1696, 541, 542, 543,
igr2=1641,1642,1643, 488, 489, 490,1616, 460,
&end
#
# 108 ILE MD 38 LEU HG 6.00 (# 41805.1 Unique )
&rst
ixpk= 41805, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1694,1695,1696,
&end
#
# 34 ILE MD 31 THR HB 5.80 (# 41814.1 Unique )
&rst
ixpk= 41814, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 541, 542, 543,
&end
#
# 0 AMB m:41825a 0 AMB m:41825b 3.80 (# 41825.1 Double Ambig [QB 9 QB 83] [QB 9 QB 83] )
#This appears to be self-referential: ignoring
#
# 0 AMB m:41833a 0 AMB m:41833b 3.10 (# 41833.1 Double Ambig [QB 83 QB 9] [MG2 31 MG2 105] )
&rst
ixpk= 41833, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1283,1284, 142, 143,
igr2= 488, 489, 490,1641,1642,1643,
&end
#
# 0 AMB m:41843a 0 AMB m:41843b 6.00 (# 41843.1 Double Ambig [QB 83 QB 9] [QG 115 QB 8 QG 43 QB 86] )
&rst
ixpk= 41843, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=1283,1284, 142, 143,
igr2=1814,1815, 127, 128, 680, 681,1339,1340,
&end
#
# 9 ARG HA 0 AMB m:41849 5.60 (# 41849.1 Single Ambig [QB 12 MB 47 MB 15 QG1 45] )
&rst
ixpk= 41849, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
igr2= 193, 194, 728, 729, 730, 250, 251, 252, 705, 706,
&end
#
# 9 ARG HA 13 VAL MG1 5.80 (# 41855.1 Unique )
&rst
ixpk= 41855, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 217, 218, 219,
&end
#
# 141 LEU HA 140 GLN QB 6.00 (# 41861.1 Unique )
&rst
ixpk= 41861, nxpk= 0, iat=2204, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2189,2190,
&end
#
# 86 LYS QB 86 LYS QB 4.80 (# 41864.1 Unique )
#This appears to be self-referential: ignoring
#
# 0 AMB m:41877 140 GLN QB 6.00 (# 41877.1 Single Ambig [MD1 141 MD2 142 MG2 138] )
&rst
ixpk= 41877, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=2211,2212,2213,2234,2235,2236,2160,2161,2162,
igr2=2189,2190,
&end
#
# 140 GLN QB 0 AMB m:41882 6.00 (# 41882.1 Single Ambig [MD1 141 MD2 141 MD2 142 MD1 142] )
&rst
ixpk= 41882, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=2189,2190,
igr2=2211,2212,2213,2215,2216,2217,2234,2235,2236,2230,
2231,2232,
&end
#
# 0 AMB m:41888a 0 AMB m:41888b 4.30 (# 41888.1 Double Ambig [QB 140 QB 51] [QB 141 MB 47 MB 52] )
&rst
ixpk= 41888, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
igr1=2189,2190, 789, 790,
igr2=2206,2207, 728, 729, 730, 806, 807, 808,
&end
#
# 0 AMB m:41893a 0 AMB m:41893b 5.80 (# 41893.1 Double Ambig [QB 140 QB 51] [QB 141 MB 47 MB 52] )
&rst
ixpk= 41893, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.33, r4=10.83,
igr1=2189,2190, 789, 790,
igr2=2206,2207, 728, 729, 730, 806, 807, 808,
&end
#
# 0 AMB m:41898a 0 AMB m:41898b 6.00 (# 41898.1 Double Ambig [QB 51 QB 140] [MD1 55 MD 45 MG1 138 MG2 60 MD1 53] )
&rst
ixpk= 41898, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.87, r4=12.37,
igr1= 789, 790,2189,2190,
igr2= 847, 848, 849, 708, 709, 710,2156,2157,2158, 918,
919, 920, 821, 822, 823,
&end
#
# 0 AMB m:41905a 0 AMB m:41905b 4.90 (# 41905.1 Double Ambig [QB 51 QB 140] [QB 50 HG 142 QB 139 QB 142] )
&rst
ixpk= 41905, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 789, 790,2189,2190,
igr2= 770, 771,2228,2170,2171,2225,2226,
&end
#
# 0 AMB m:41911a 0 AMB m:41911b 5.40 (# 41911.1 Double Ambig [QB 51 QB 140] [QB 50 HG 142 QB 139 QB 142] )
&rst
ixpk= 41911, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.41, r4= 9.91,
igr1= 789, 790,2189,2190,
igr2= 770, 771,2228,2170,2171,2225,2226,
&end
#
# 0 AMB m:41917a 0 AMB m:41917b 6.00 (# 41917.1 Double Ambig [QB 51 QB 140] [QA 56 HA 47 QB 57 HA 50 HA 39 QB 144] )
&rst
ixpk= 41917, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 789, 790,2189,2190,
igr2= 859, 860, 726, 868, 869, 768, 613,2251,2252,
&end
#
# 0 AMB m:41925a 0 AMB m:41925b 6.00 (# 41925.1 Double Ambig [QB 51 QB 140] [QA 56 QB 57 HA 47 HA 50 HA 39 QB 144] )
&rst
ixpk= 41925, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 789, 790,2189,2190,
igr2= 859, 860, 868, 869, 726, 768, 613,2251,2252,
&end
#
# 0 AMB m:41933a 0 AMB m:41933b 5.60 (# 41933.1 Double Ambig [QB 11 QB 140 QB 136] [MG2 13 MD2 142 MD1 139 MD1 141 MG2 138 MD2 141 MD2 53] )
&rst
ixpk= 41933, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.54, r4=13.04,
igr1= 176, 177,2189,2190,2120,2121,
igr2= 221, 222, 223,2234,2235,2236,2175,2176,2177,2211,
2212,2213,2160,2161,2162,2215,2216,2217, 825, 826,
827,
&end
#
# 0 AMB m:41945a 0 AMB m:41945b 5.60 (# 41945.1 Double Ambig [HA 138 HA 13 HA 87] [HA 142 HA 141 HA 12 HA 86] )
&rst
ixpk= 41945, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1=2152, 213,1359,
igr2=2223,2204, 191,1337,
&end
#
# 18 GLN QB 0 AMB m:41951 4.30 (# 41951.1 Single Ambig [MG2 78 MD 78 MG2 29] )
&rst
ixpk= 41951, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 289, 290,
igr2=1200,1201,1202,1207,1208,1209, 462, 463, 464,
&end
#
# 11 GLN QB 8 GLU HA 4.30 (# 41956.1 Unique )
&rst
ixpk= 41956, nxpk= 0, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 176, 177,
&end
#
# 0 AMB m:41959a 0 AMB m:41959b 6.00 (# 41959.1 Double Ambig [QB 18 QB 11 QB 140] [HA 15 HA 12 HA 141] )
&rst
ixpk= 41959, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 289, 290, 176, 177,2189,2190,
igr2= 248, 191,2204,
&end
#
# 0 AMB m:41972a 0 AMB m:41972b 5.00 (# 41972.1 Double Ambig [QB 140 QB 51] [HA 141 QA 56] )
&rst
ixpk= 41972, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=2189,2190, 789, 790,
igr2=2204, 859, 860,
&end
#
# 135 ARG QB 110 LEU MD2 5.60 (# 41982.1 Unique )
&rst
ixpk= 41982, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=2096,2097,
igr2=1732,1733,1734,
&end
#
# 135 ARG QB 0 AMB m:41985 4.00 (# 41985.1 Single Ambig [MD1 110 MD1 139 MD2 139] )
&rst
ixpk= 41985, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=2096,2097,
igr2=1728,1729,1730,2175,2176,2177,2179,2180,2181,
&end
#
# 135 ARG QB 0 AMB m:41990 5.80 (# 41990.1 Single Ambig [HA 136 HA 131] )
&rst
ixpk= 41990, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1=2096,2097,
igr2=2118,2029,
&end
#
# 134 ALA MB 0 AMB m:42001 5.60 (# 42001.1 Single Ambig [QB 135 QB 131] )
&rst
ixpk= 42001, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1=2086,2087,2088,
igr2=2096,2097,2031,2032,
&end
#
# 134 ALA MB 0 AMB m:42006 4.90 (# 42006.1 Single Ambig [QB 133 QB 135 HG 53] )
&rst
ixpk= 42006, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1=2086,2087,2088,
igr2=2064,2065,2096,2097, 819,
&end
#
# 129 VAL MG2 124 LEU QB 6.00 (# 42027.1 Unique )
&rst
ixpk= 42027, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2010,2011,2012,
igr2=1931,1932,
&end
#
# 0 AMB m:42043a 0 AMB m:42043b 5.80 (# 42043.1 Double Ambig [HG 142 HG 53 HG 127] [HN 145 HN 140 HN 55 HN 124] )
&rst
ixpk= 42043, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr1=2228, 819,1981,
igr2=2258,2185, 838,1927,
&end
#
# 127 LEU MD1 60 ILE QG1 4.50 (# 42049.1 Unique )
&rst
ixpk= 42049, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1983,1984,1985,
igr2= 922, 923,
&end
#
# 127 LEU MD1 0 AMB m:42052 3.90 (# 42052.1 Single Ambig [HG 55 QB 59] )
&rst
ixpk= 42052, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1983,1984,1985,
igr2= 845, 894, 895,
&end
#
# 127 LEU MD1 0 AMB m:42056 6.00 (# 42056.1 Single Ambig [QB 50 HG 35] )
&rst
ixpk= 42056, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1983,1984,1985,
igr2= 770, 771, 554,
&end
#
# 127 LEU MD1 124 LEU QB 6.00 (# 42060.1 Unique )
&rst
ixpk= 42060, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1983,1984,1985,
igr2=1931,1932,
&end
#
# 127 LEU MD1 55 LEU QB 4.50 (# 42063.1 Unique )
&rst
ixpk= 42063, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1983,1984,1985,
igr2= 842, 843,
&end
#
# 127 LEU MD1 0 AMB m:42066 6.00 (# 42066.1 Single Ambig [QB 59 QB 62] )
&rst
ixpk= 42066, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1983,1984,1985,
igr2= 894, 895, 952, 953,
&end
#
# 127 LEU MD1 0 AMB m:42076 6.00 (# 42076.1 Single Ambig [HA 50 QA 56 HA 129 HA 134] )
&rst
ixpk= 42076, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1983,1984,1985,
igr2= 768, 859, 860,2002,2084,
&end
#
# 127 LEU MD1 55 LEU HA 6.00 (# 42082.1 Unique )
&rst
ixpk= 42082, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1983,1984,1985,
&end
#
# 127 LEU MD1 124 LEU HN 4.90 (# 42085.1 Unique )
&rst
ixpk= 42085, nxpk= 0, iat= -1,1927, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1983,1984,1985,
&end
#
# 127 LEU MD1 126 ASN HN 6.00 (# 42088.1 Unique )
&rst
ixpk= 42088, nxpk= 0, iat= -1,1960, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1983,1984,1985,
&end
#
# 125 ASN HA 0 AMB m:42091 6.00 (# 42091.1 Single Ambig [QA 128 HA 124] )
&rst
ixpk= 42091, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1995,1996,1929,
&end
#
# 125 ASN HA 0 AMB m:42095 6.00 (# 42095.1 Single Ambig [HA 129 HA 122 QB 130] )
&rst
ixpk= 42095, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=2002,1889,2020,2021,
&end
#
# 125 ASN HA 0 AMB m:42109 6.00 (# 42109.1 Single Ambig [QB 124 QB 127] )
&rst
ixpk= 42109, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1931,1932,1978,1979,
&end
#
# 125 ASN HA 0 AMB m:42113 5.20 (# 42113.1 Single Ambig [HB 129 HG 127] )
&rst
ixpk= 42113, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=2004,1981,
&end
#
# 125 ASN HA 124 LEU HN 6.00 (# 42117.1 Unique )
&rst
ixpk= 42117, nxpk= 0, iat=1948,1927, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 125 ASN QB 0 AMB m:42120 6.00 (# 42120.1 Single Ambig [MG2 129 MG1 129 MG1 123 MD2 127 MD1 55 MD2 55] )
&rst
ixpk= 42120, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1950,1951,
igr2=2010,2011,2012,2006,2007,2008,1917,1918,1919,1987,
1988,1989, 847, 848, 849, 851, 852, 853,
&end
#
# 0 AMB m:42128a 0 AMB m:42128b 6.00 (# 42128.1 Double Ambig [QB 27 QB 125] [MD2 22 MB 21 MG2 129 MG2 113 MG1 123 MD1 22 MD2 127] )
&rst
ixpk= 42128, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.56, r4=13.06,
igr1= 432, 433,1950,1951,
igr2= 355, 356, 357, 336, 337, 338,2010,2011,2012,1770,
1771,1772,1917,1918,1919, 351, 352, 353,1987,1988,
1989,
&end
#
# 0 AMB m:42137a 0 AMB m:42137b 5.60 (# 42137.1 Double Ambig [QB 125 QB 3] [QB 124 QB 5] )
&rst
ixpk= 42137, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
igr1=1950,1951, 42, 43,
igr2=1931,1932, 69, 70,
&end
#
# 0 AMB m:42149a 0 AMB m:42149b 6.00 (# 42149.1 Double Ambig [QB 3 QB 125 QB 27] [QB 5 HG 124 HG 22] )
&rst
ixpk= 42149, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 42, 43,1950,1951, 432, 433,
igr2= 69, 70,1934, 349,
&end
#
# 0 AMB m:42154a 0 AMB m:42154b 6.00 (# 42154.1 Double Ambig [QB 3 QB 27 QB 125] [ME 2 QB 74 QB 73 HG 127] )
&rst
ixpk= 42154, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 42, 43, 432, 433,1950,1951,
igr2= 32, 33, 34,1139,1140,1124,1125,1981,
&end
#
# 0 AMB m:42160a 0 AMB m:42160b 6.00 (# 42160.1 Double Ambig [QB 125 QB 27 QB 3] [HA 124 HA 121 QA 128 QB 75 QB 101] )
&rst
ixpk= 42160, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1950,1951, 432, 433, 42, 43,
igr2=1929,1879,1995,1996,1156,1157,1584,1585,
&end
#
# 125 ASN QB 0 AMB m:42167 6.00 (# 42167.1 Single Ambig [HA 124 QA 128 HA 121] )
&rst
ixpk= 42167, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1950,1951,
igr2=1929,1995,1996,1879,
&end
#
# 0 AMB m:42175a 0 AMB m:42175b 6.00 (# 42175.1 Double Ambig [QB 3 QB 125] [QA 4 QA 128] )
&rst
ixpk= 42175, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 42, 43,1950,1951,
igr2= 60, 61,1995,1996,
&end
#
# 124 LEU QB 0 AMB m:42190 6.00 (# 42190.1 Single Ambig [HA 129 HA 131 HA 50] )
&rst
ixpk= 42190, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1931,1932,
igr2=2002,2029, 768,
&end
#
# 124 LEU QB 0 AMB m:42195 6.00 (# 42195.1 Single Ambig [HA 113 HA 123] )
&rst
ixpk= 42195, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1931,1932,
igr2=1766,1913,
&end
#
# 0 AMB m:42199a 0 AMB m:42199b 4.90 (# 42199.1 Double Ambig [HG 124 HG 24] [HB 123 QB 65 HB 68] )
&rst
ixpk= 42199, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1934, 392,
igr2=1915,1005,1006,1050,
&end
#
# 0 AMB m:42204a 0 AMB m:42204b 4.20 (# 42204.1 Double Ambig [MD1 124 MD1 50] [MB 134 QB 112 MB 49] )
&rst
ixpk= 42204, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1=1936,1937,1938, 775, 776, 777,
igr2=2086,2087,2088,1749,1750, 760, 761, 762,
&end
#
# 0 AMB m:42213a 0 AMB m:42213b 4.10 (# 42213.1 Double Ambig [MD1 50 MD1 124] [QG1 60 QB 38 HG 131] )
&rst
ixpk= 42213, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 775, 776, 777,1936,1937,1938,
igr2= 922, 923, 596, 597,2034,
&end
#
# 120 ALA MB 0 AMB m:42234 4.10 (# 42234.1 Single Ambig [HB 119 QB 124 QG1 113] )
&rst
ixpk= 42234, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1871,1872,1873,
igr2=1855,1931,1932,1774,1775,
&end
#
# 107 HIS HA 0 AMB m:42239 3.30 (# 42239.1 Single Ambig [HG 110 QG 94] )
&rst
ixpk= 42239, nxpk= 0, iat=1666, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1726,1473,1474,
&end
#
# 107 HIS HA 94 GLU QB 4.70 (# 42243.1 Unique )
&rst
ixpk= 42243, nxpk= 0, iat=1666, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1470,1471,
&end
#
# 107 HIS HA 0 AMB m:42246 3.30 (# 42246.1 Single Ambig [MD1 110 MD2 139] )
&rst
ixpk= 42246, nxpk= 0, iat=1666, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2=1728,1729,1730,2179,2180,2181,
&end
#
# 25 GLY QA 0 AMB m:42250 6.00 (# 42250.1 Single Ambig [HN 72 HN 74] )
&rst
ixpk= 42250, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 406, 407,
igr2=1103,1135,
&end
#
# 2 MET QB 0 AMB m:42254 6.00 (# 42254.1 Single Ambig [HE 96 HE 3]; orig = 5.40 )
&rst
ixpk= 42254, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 25, 26,
igr2=1504, 48, 52,
&end
#
# 11 GLN QB 14 LEU MD1 6.00 (# 42258.1 Unique )
&rst
ixpk= 42258, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 176, 177,
igr2= 236, 237, 238,
&end
#
# 0 AMB m:42261a 0 AMB m:42261b 6.00 (# 42261.1 Double Ambig [QB 11 QB 136 QB 140] [MD2 14 MD2 110 MD1 53 MG1 138 MD 45] )
&rst
ixpk= 42261, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
igr1= 176, 177,2120,2121,2189,2190,
igr2= 240, 241, 242,1732,1733,1734, 821, 822, 823,2156,
2157,2158, 708, 709, 710,
&end
#
# 140 GLN QB 141 LEU HN 5.40 (# 42269.1 Unique )
&rst
ixpk= 42269, nxpk= 0, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=2189,2190,
&end
#
# 0 AMB m:42276a 0 AMB m:42276b 5.00 (# 42276.1 Double Ambig [HB 87 HB 13] [MB 84 QB 38 MB 10 QB 40] )
&rst
ixpk= 42276, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
igr1=1361, 215,
igr2=1307,1308,1309, 596, 597, 166, 167, 168, 631, 632,
&end
#
# 0 AMB m:42282a 0 AMB m:42282b 6.00 (# 42282.1 Double Ambig [HB 87 HB 13] [QG1 88 MB 47] )
&rst
ixpk= 42282, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1361, 215,
igr2=1383,1384, 728, 729, 730,
&end
#
# 0 AMB m:42286a 0 AMB m:42286b 6.00 (# 42286.1 Double Ambig [HB 87 HB 13] [QB 115 HG 14 HG 112] )
&rst
ixpk= 42286, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1361, 215,
igr2=1811,1812, 234,1752,
&end
#
# 0 AMB m:42298a 0 AMB m:42298b 6.00 (# 42298.1 Double Ambig [HB 13 HB 87] [QG 41 QG 115 HB 88 QB 16 QB 112] )
&rst
ixpk= 42298, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 215,1361,
igr2= 658, 659,1814,1815,1377, 260, 261,1749,1750,
&end
#
# 13 VAL HB 0 AMB m:42305 3.80 (# 42305.1 Single Ambig [HA 38 HA 14] )
&rst
ixpk= 42305, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 594, 229,
&end
#
# 87 VAL HB 0 AMB m:42309 6.00 (# 42309.1 Single Ambig [QA 111 HA 85] )
&rst
ixpk= 42309, nxpk= 0, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1740,1741,1315,
&end
#
# 0 AMB m:42313a 0 AMB m:42313b 5.00 (# 42313.1 Double Ambig [HB 13 HB 87] [QA 42 QA 37 HA 31 HA 88] )
&rst
ixpk= 42313, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 215,1361,
igr2= 668, 669, 587, 588, 484,1375,
&end
#
# 13 VAL HB 37 GLY HN 6.00 (# 42320.1 Unique )
&rst
ixpk= 42320, nxpk= 0, iat= 215, 585, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB m:42323a 0 AMB m:42323b 5.40 (# 42323.1 Double Ambig [MG1 13 MG2 87] [QB 12 QG1 88 MB 121 MB 47] )
&rst
ixpk= 42323, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
igr1= 217, 218, 219,1367,1368,1369,
igr2= 193, 194,1383,1384,1881,1882,1883, 728, 729, 730,
&end
#
# 0 AMB m:42329a 0 AMB m:42329b 4.80 (# 42329.1 Double Ambig [MG1 13 MG2 87] [MB 10 MB 84 QB 38 QB 9 QB 12] )
&rst
ixpk= 42329, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
igr1= 217, 218, 219,1367,1368,1369,
igr2= 166, 167, 168,1307,1308,1309, 596, 597, 142, 143,
193, 194,
&end
#
# 0 AMB m:42336a 0 AMB m:42336b 4.00 (# 42336.1 Double Ambig [MG1 13 MG2 87] [QB 12 QB 83 QB 86 QB 38 HB 34] )
&rst
ixpk= 42336, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 217, 218, 219,1367,1368,1369,
igr2= 193, 194,1283,1284,1339,1340, 596, 597, 532,
&end
#
# 0 AMB m:42343a 0 AMB m:42343b 6.00 (# 42343.1 Double Ambig [MG2 87 MG1 13] [QB 86 QB 40 QB 114] )
&rst
ixpk= 42343, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1367,1368,1369, 217, 218, 219,
igr2=1339,1340, 631, 632,1787,1788,
&end
#
# 0 AMB m:42348a 0 AMB m:42348b 6.00 (# 42348.1 Double Ambig [MG2 87 MG1 13] [QB 83 QB 9] )
&rst
ixpk= 42348, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1367,1368,1369, 217, 218, 219,
igr2=1283,1284, 142, 143,
&end
#
# 87 VAL MG2 0 AMB m:42352 6.00 (# 42352.1 Single Ambig [QA 111 QA 116 QB 91] )
&rst
ixpk= 42352, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1367,1368,1369,
igr2=1740,1741,1824,1825,1430,1431,
&end
#
# 13 VAL MG2 0 AMB m:42357 6.00 (# 42357.1 Single Ambig [HN 15 HN 12] )
&rst
ixpk= 42357, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 221, 222, 223,
igr2= 246, 189,
&end
#
# 13 VAL MG2 0 AMB m:42361 6.00 (# 42361.1 Single Ambig [HB 105 HA 12 HA 15] )
&rst
ixpk= 42361, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 221, 222, 223,
igr2=1639, 191, 248,
&end
#
# 13 VAL MG2 0 AMB m:42366 6.00 (# 42366.1 Single Ambig [HA 12 HA 15] )
&rst
ixpk= 42366, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 221, 222, 223,
igr2= 191, 248,
&end
#
# 13 VAL MG2 0 AMB m:42387 4.60 (# 42387.1 Single Ambig [QB 14 MB 10 QB 38] )
&rst
ixpk= 42387, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 221, 222, 223,
igr2= 231, 232, 166, 167, 168, 596, 597,
&end
#
# 13 VAL MG2 0 AMB m:42392 2.80 (# 42392.1 Single Ambig [HG 14 HG 38] )
&rst
ixpk= 42392, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 221, 222, 223,
igr2= 234, 599,
&end
#
# 13 VAL MG2 0 AMB m:42396 5.80 (# 42396.1 Single Ambig [QB 14 QB 41 QG1 34] )
&rst
ixpk= 42396, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.39, r4= 9.89,
igr1= 221, 222, 223,
igr2= 231, 232, 655, 656, 538, 539,
&end
#
# 13 VAL MG2 41 GLU QG 6.00 (# 42414.1 Unique )
&rst
ixpk= 42414, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 221, 222, 223,
igr2= 658, 659,
&end
#
# 0 AMB m:42420a 0 AMB m:42420b 6.00 (# 42420.1 Double Ambig [HA 16 HA 14] [QG 19 HB 13]; orig = 4.50 )
&rst
ixpk= 42420, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 258, 229,
igr2= 309, 310, 215,
&end
#
# 0 AMB m:42424a 0 AMB m:42424b 4.10 (# 42424.1 Double Ambig [HA 14 HA 16] [QB 14 HG 16] )
&rst
ixpk= 42424, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 229, 258,
igr2= 231, 232, 263,
&end
#
# 14 LEU QB 0 AMB m:42431 3.90 (# 42431.1 Single Ambig [MD2 14 MG2 34 MD 108] )
&rst
ixpk= 42431, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 231, 232,
igr2= 240, 241, 242, 534, 535, 536,1694,1695,1696,
&end
#
# 50 LEU HG 0 AMB m:42440 4.50 (# 42440.1 Single Ambig [QB 50 MB 46 HG 109] )
&rst
ixpk= 42440, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 770, 771, 718, 719, 720,1707,
&end
#
# 0 AMB m:42445a 0 AMB m:42445b 3.60 (# 42445.1 Double Ambig [HG 50 HG 14] [HA 50 HA 11 HA 47 HA 10] )
&rst
ixpk= 42445, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 773, 234,
igr2= 768, 174, 726, 164,
&end
#
# 0 AMB m:42451a 0 AMB m:42451b 6.00 (# 42451.1 Double Ambig [HG 50 HG 14] [HA 46 QA 37 HA 105 HA 124] )
&rst
ixpk= 42451, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 773, 234,
igr2= 716, 587, 588,1637,1929,
&end
#
# 14 LEU MD2 0 AMB m:42457 4.90 (# 42457.1 Single Ambig [HA 34 HA 31 HA 88] )
&rst
ixpk= 42457, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 240, 241, 242,
igr2= 530, 484,1375,
&end
#
# 14 LEU MD2 0 AMB m:42462 6.00 (# 42462.1 Single Ambig [HB 34 HB 108 QB 38] )
&rst
ixpk= 42462, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 240, 241, 242,
igr2= 532,1685, 596, 597,
&end
#
# 14 LEU MD1 0 AMB m:42478 6.00 (# 42478.1 Single Ambig [HB 88 QB 18 QB 16 QB 11] )
&rst
ixpk= 42478, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
igr1= 236, 237, 238,
igr2=1377, 289, 290, 260, 261, 176, 177,
&end
#
# 14 LEU MD1 6 PHE QB 6.00 (# 42484.1 Unique )
&rst
ixpk= 42484, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 236, 237, 238,
igr2= 93, 94,
&end
#
# 14 LEU MD1 6 PHE QB 6.00 (# 42487.1 Unique )
&rst
ixpk= 42487, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 236, 237, 238,
igr2= 93, 94,
&end
#
# 0 AMB m:42490a 0 AMB m:42490b 4.40 (# 42490.1 Double Ambig [MD1 36 MD1 24 MD2 16] [HN 36 HN 66 HN 41 HN 63] )
&rst
ixpk= 42490, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1= 575, 576, 577, 394, 395, 396, 269, 270, 271,
igr2= 566,1016, 651, 970,
&end
#
# 16 LEU QB 37 GLY QA 3.90 (# 42506.1 Unique )
&rst
ixpk= 42506, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 260, 261,
igr2= 587, 588,
&end
#
# 0 AMB m:42510a 0 AMB m:42510b 6.00 (# 42510.1 Double Ambig [HG 53 HG 16] [QE2 140 HN 18] )
&rst
ixpk= 42510, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 819, 263,
igr2=2197,2198, 285,
&end
#
# 16 LEU MD1 0 AMB m:42514 6.00 (# 42514.1 Single Ambig [HN 40 HN 15] )
&rst
ixpk= 42514, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 265, 266, 267,
igr2= 627, 246,
&end
#
# 16 LEU MD1 40 ARG QB 6.00 (# 42521.1 Unique )
&rst
ixpk= 42521, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 265, 266, 267,
igr2= 631, 632,
&end
#
# 16 LEU MD1 40 ARG QB 4.80 (# 42524.1 Unique )
&rst
ixpk= 42524, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 265, 266, 267,
igr2= 631, 632,
&end
#
# 16 LEU MD1 41 GLU QB 4.10 (# 42527.1 Unique )
&rst
ixpk= 42527, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 265, 266, 267,
igr2= 655, 656,
&end
#
# 16 LEU MD1 41 GLU QG 6.00 (# 42530.1 Unique )
&rst
ixpk= 42530, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 265, 266, 267,
igr2= 658, 659,
&end
#
# 0 AMB m:42533a 0 AMB m:42533b 4.70 (# 42533.1 Double Ambig [MD2 16 MD1 24] [QB 40 QB 70] )
&rst
ixpk= 42533, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1= 269, 270, 271, 394, 395, 396,
igr2= 631, 632,1076,1077,
&end
#
# 0 AMB m:42540a 0 AMB m:42540b 3.90 (# 42540.1 Double Ambig [MD2 127 MD2 16] [QG 63 QG 19] )
&rst
ixpk= 42540, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1987,1988,1989, 269, 270, 271,
igr2= 977, 978, 309, 310,
&end
#
# 17 ALA HA 0 AMB m:42544 6.00 (# 42544.1 Single Ambig [QB 16 QG 32] )
&rst
ixpk= 42544, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 260, 261, 503, 504,
&end
#
# 17 ALA HA 0 AMB m:42548 5.40 (# 42548.1 Single Ambig [QB 36 QB 40] )
&rst
ixpk= 42548, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2= 570, 571, 631, 632,
&end
#
# 0 AMB m:42552a 0 AMB m:42552b 6.00 (# 42552.1 Double Ambig [QB 18 QB 11] [QG1 29 MD1 14] )
&rst
ixpk= 42552, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 289, 290, 176, 177,
igr2= 466, 467, 236, 237, 238,
&end
#
# 18 GLN QB 29 ILE QG1 6.00 (# 42556.1 Unique )
&rst
ixpk= 42556, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 289, 290,
igr2= 466, 467,
&end
#
# 18 GLN QB 0 AMB m:42559 5.40 (# 42559.1 Single Ambig [MG2 78 MD 78] )
&rst
ixpk= 42559, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1= 289, 290,
igr2=1200,1201,1202,1207,1208,1209,
&end
#
# 18 GLN QB 0 AMB m:42563 6.00 (# 42563.1 Single Ambig [MD2 22 MD1 22] )
&rst
ixpk= 42563, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 289, 290,
igr2= 355, 356, 357, 351, 352, 353,
&end
#
# 0 AMB m:42567a 0 AMB m:42567b 4.60 (# 42567.1 Double Ambig [QB 61 QB 18] [MD1 36 MD2 22 MD2 36 MD1 22] )
&rst
ixpk= 42567, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
igr1= 935, 936, 289, 290,
igr2= 575, 576, 577, 355, 356, 357, 579, 580, 581, 351,
352, 353,
&end
#
# 82 PRO QB 82 PRO QB 4.30 (# 42573.1 Unique )
#This appears to be self-referential: ignoring
#
# 82 PRO QB 82 PRO QB 3.50 (# 42576.1 Unique )
#This appears to be self-referential: ignoring
#
# 0 AMB m:42588a 0 AMB m:42588b 3.30 (# 42588.1 Double Ambig [HA 19 HA 96] [HG 22 QB 96] )
&rst
ixpk= 42588, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 304,1493,
igr2= 349,1495,1496,
&end
#
# 94 GLU QB 0 AMB m:42603 4.30 (# 42603.1 Single Ambig [MD1 110 MD2 139] )
&rst
ixpk= 42603, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1470,1471,
igr2=1728,1729,1730,2179,2180,2181,
&end
#
# 94 GLU QB 107 HIS HD2 3.60 (# 42607.1 Unique )
&rst
ixpk= 42607, nxpk= 0, iat= -1,1677, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1470,1471,
&end
#
# 0 AMB m:42610a 0 AMB m:42610b 6.00 (# 42610.1 Double Ambig [HA 21 HA 95] [MD 78 MG1 103 MG2 78] )
&rst
ixpk= 42610, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 334,1483,
igr2=1207,1208,1209,1618,1619,1620,1200,1201,1202,
&end
#
# 21 ALA MB 0 AMB m:42615 6.00 (# 42615.1 Single Ambig [HA 20 HA 33 HA 24] )
&rst
ixpk= 42615, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 336, 337, 338,
igr2= 319, 513, 387,
&end
#
# 21 ALA MB 0 AMB m:42620 6.00 (# 42620.1 Single Ambig [HA 29 HA 19] )
&rst
ixpk= 42620, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 336, 337, 338,
igr2= 458, 304,
&end
#
# 21 ALA MB 33 HIS QB 6.00 (# 42624.1 Unique )
&rst
ixpk= 42624, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 336, 337, 338,
igr2= 515, 516,
&end
#
# 21 ALA MB 0 AMB m:42634 5.80 (# 42634.1 Single Ambig [HG 22 QB 24] )
&rst
ixpk= 42634, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr1= 336, 337, 338,
igr2= 349, 389, 390,
&end
#
# 21 ALA MB 0 AMB m:42638 6.00 (# 42638.1 Single Ambig [QB 22 QG 32] )
&rst
ixpk= 42638, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 336, 337, 338,
igr2= 346, 347, 503, 504,
&end
#
# 21 ALA MB 0 AMB m:42642 6.00 (# 42642.1 Single Ambig [QG 20 QB 23 HB 68] )
&rst
ixpk= 42642, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 336, 337, 338,
igr2= 324, 325, 365, 366,1050,
&end
#
# 21 ALA MB 0 AMB m:42650 6.00 (# 42650.1 Single Ambig [QB 24 HB 29] )
&rst
ixpk= 42650, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 336, 337, 338,
igr2= 389, 390, 460,
&end
#
# 21 ALA MB 29 ILE QG1 3.90 (# 42654.1 Unique )
&rst
ixpk= 42654, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 336, 337, 338,
igr2= 466, 467,
&end
#
# 22 LEU QB 0 AMB m:42657 6.00 (# 42657.1 Single Ambig [HN 25 HN 28] )
&rst
ixpk= 42657, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 346, 347,
igr2= 404, 442,
&end
#
# 22 LEU QB 0 AMB m:42675 6.00 (# 42675.1 Single Ambig [QB 23 QB 18] )
&rst
ixpk= 42675, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 346, 347,
igr2= 365, 366, 289, 290,
&end
#
# 22 LEU QB 21 ALA MB 6.00 (# 42679.1 Unique )
&rst
ixpk= 42679, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 346, 347,
igr2= 336, 337, 338,
&end
#
# 0 AMB m:42688a 0 AMB m:42688b 5.40 (# 42688.1 Double Ambig [HG 22 HG 24] [QB 18 QB 20 HB 64] )
&rst
ixpk= 42688, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 349, 392,
igr2= 289, 290, 321, 322, 989,
&end
#
# 22 LEU MD1 0 AMB m:42694 6.00 (# 42694.1 Single Ambig [HN 19 HN 28 HN 25] )
&rst
ixpk= 42694, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 351, 352, 353,
igr2= 302, 442, 404,
&end
#
# 23 ARG QB 0 AMB m:42703 5.30 (# 42703.1 Single Ambig [HA 20 HA 24] )
&rst
ixpk= 42703, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 365, 366,
igr2= 319, 387,
&end
#
# 23 ARG QB 0 AMB m:42712 6.00 (# 42712.1 Single Ambig [QB 24 HG 22 HG 24] )
&rst
ixpk= 42712, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 365, 366,
igr2= 389, 390, 349, 392,
&end
#
# 23 ARG QB 0 AMB m:42717 6.00 (# 42717.1 Single Ambig [MD1 22 MD2 22 MD1 24 MD2 16] )
&rst
ixpk= 42717, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 365, 366,
igr2= 351, 352, 353, 355, 356, 357, 394, 395, 396, 269,
270, 271,
&end
#
# 0 AMB m:42723a 0 AMB m:42723b 5.40 (# 42723.1 Double Ambig [QB 142 QB 24] [QB 106 QB 139 QB 23] )
&rst
ixpk= 42723, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.17, r4= 9.67,
igr1=2225,2226, 389, 390,
igr2=1653,1654,2170,2171, 365, 366,
&end
#
# 0 AMB m:42728a 0 AMB m:42728b 6.00 (# 42728.1 Double Ambig [MD1 24 MD1 36] [HN 70 HN 38 HN 23] )
&rst
ixpk= 42728, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 394, 395, 396, 575, 576, 577,
igr2=1072, 592, 361,
&end
#
# 0 AMB m:42733a 0 AMB m:42733b 6.00 (# 42733.1 Double Ambig [MD1 24 MD1 36] [HD2 26 HN 33] )
&rst
ixpk= 42733, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 394, 395, 396, 575, 576, 577,
igr2= 424, 511,
&end
#
# 0 AMB m:42737 65 GLU HA 4.50 (# 42737.1 Single Ambig [MD1 24 MD1 36]; orig = 3.10 )
&rst
ixpk= 42737, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 394, 395, 396, 575, 576, 577,
&end
#
# 24 LEU MD1 0 AMB m:42741 3.10 (# 42741.1 Single Ambig [QB 24 QG1 68] )
&rst
ixpk= 42741, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 394, 395, 396,
igr2= 389, 390,1056,1057,
&end
#
# 0 AMB m:42745a 0 AMB m:42745b 2.70 (# 42745.1 Double Ambig [MD1 98 MD1 36 MD1 24] [HG 98 QB 32 QG 32] )
&rst
ixpk= 42745, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1546,1547,1548, 575, 576, 577, 394, 395, 396,
igr2=1544, 500, 501, 503, 504,
&end
#
# 110 LEU MD1 135 ARG QB 4.60 (# 42751.1 Unique )
&rst
ixpk= 42751, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1728,1729,1730,
igr2=2096,2097,
&end
#
# 0 AMB m:42760 139 LEU HN 6.00 (# 42760.1 Single Ambig [MD1 110 MD2 98] )
&rst
ixpk= 42760, nxpk= 0, iat= -1,2166, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1728,1729,1730,1550,1551,1552,
&end
#
# 110 LEU MD1 0 AMB m:42767 3.60 (# 42767.1 Single Ambig [QB 94 HB 138] )
&rst
ixpk= 42767, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1728,1729,1730,
igr2=1470,1471,2154,
&end
#
# 27 ASN QB 0 AMB m:42778 6.00 (# 42778.1 Single Ambig [HA 75 HA 74] )
&rst
ixpk= 42778, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 432, 433,
igr2=1154,1137,
&end
#
# 28 ASN QB 0 AMB m:42786 6.00 (# 42786.1 Single Ambig [MB 21 MG2 29 HN 30] )
&rst
ixpk= 42786, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1= 446, 447,
igr2= 336, 337, 338, 462, 463, 464, 475,
&end
#
# 29 ILE QG1 0 AMB m:42791 6.00 (# 42791.1 Single Ambig [HN 81 HN 80] )
&rst
ixpk= 42791, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 466, 467,
igr2=1251,1230,
&end
#
# 29 ILE MD 0 AMB m:42795 6.00 (# 42795.1 Single Ambig [HN 81 HN 80] )
&rst
ixpk= 42795, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 469, 470, 471,
igr2=1251,1230,
&end
#
# 29 ILE MG2 0 AMB m:42799 6.00 (# 42799.1 Single Ambig [HN 81 HN 80] )
&rst
ixpk= 42799, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 462, 463, 464,
igr2=1251,1230,
&end
#
# 29 ILE MG2 0 AMB m:42803 6.00 (# 42803.1 Single Ambig [HN 79 HN 84] )
&rst
ixpk= 42803, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 462, 463, 464,
igr2=1213,1303,
&end
#
# 29 ILE MG2 0 AMB m:42807 6.00 (# 42807.1 Single Ambig [HE1 33 HN 21 HN 88 HN 22] )
&rst
ixpk= 42807, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 462, 463, 464,
igr2= 520, 332,1373, 342,
&end
#
# 29 ILE MG2 0 AMB m:42813 6.00 (# 42813.1 Single Ambig [HA 33 HA 15 HB 31] )
&rst
ixpk= 42813, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 462, 463, 464,
igr2= 513, 248, 486,
&end
#
# 29 ILE MG2 80 TYR QB 6.00 (# 42825.1 Unique )
&rst
ixpk= 42825, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 462, 463, 464,
igr2=1234,1235,
&end
#
# 29 ILE MG2 34 ILE HB 6.00 (# 42836.1 Unique )
&rst
ixpk= 42836, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 462, 463, 464,
&end
#
# 29 ILE MG2 34 ILE QG1 3.00 (# 42839.1 Unique )
&rst
ixpk= 42839, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 462, 463, 464,
igr2= 538, 539,
&end
#
# 29 ILE MG2 0 AMB m:42842 6.00 (# 42842.1 Single Ambig [QG 32 QB 14 HG 14 QB 32 HG 112] )
&rst
ixpk= 42842, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 462, 463, 464,
igr2= 503, 504, 231, 232, 234, 500, 501,1752,
&end
#
# 29 ILE MG2 0 AMB m:42849 6.00 (# 42849.1 Single Ambig [MB 84 HB 78] )
&rst
ixpk= 42849, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 462, 463, 464,
igr2=1307,1308,1309,1198,
&end
#
# 0 AMB m:42859a 0 AMB m:42859b 2.80 (# 42859.1 Double Ambig [HG 141 QB 32] [MD2 141 MG2 45 MG1 119] )
&rst
ixpk= 42859, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=2209, 500, 501,
igr2=2215,2216,2217, 701, 702, 703,1857,1858,1859,
&end
#
# 0 AMB m:42864a 0 AMB m:42864b 3.60 (# 42864.1 Double Ambig [QB 32 HG 141] [QG 32 MB 49] )
&rst
ixpk= 42864, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 500, 501,2209,
igr2= 503, 504, 760, 761, 762,
&end
#
# 0 AMB m:42868a 0 AMB m:42868b 6.00 (# 42868.1 Double Ambig [QB 106 QB 32 HG 141] [HA 138 HA 64] )
&rst
ixpk= 42868, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1653,1654, 500, 501,2209,
igr2=2152, 987,
&end
#
# 0 AMB m:42877 45 ILE HA 6.00 (# 42877.1 Single Ambig [HG 141 QB 106] )
&rst
ixpk= 42877, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2209,1653,1654,
&end
#
# 0 AMB m:42881a 0 AMB m:42881b 6.00 (# 42881.1 Double Ambig [QB 106 HG 141 QB 32] [QA 104 QA 143 HA 103 HA 140 HA 17 HA 63] )
&rst
ixpk= 42881, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.10, r4=11.60,
igr1=1653,1654,2209, 500, 501,
igr2=1630,1631,2242,2243,1614,2187, 277, 972,
&end
#
# 0 AMB m:42889a 0 AMB m:42889b 4.30 (# 42889.1 Double Ambig [HG 141 QB 106] [HA 141 HA 142] )
&rst
ixpk= 42889, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=2209,1653,1654,
igr2=2204,2223,
&end
#
# 0 AMB m:42897a 0 AMB m:42897b 4.30 (# 42897.1 Double Ambig [HG 141 QB 32] [QE2 137 HN 33] )
&rst
ixpk= 42897, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=2209, 500, 501,
igr2=2145,2146, 511,
&end
#
# 0 AMB m:42906a 0 AMB m:42906b 5.80 (# 42906.1 Double Ambig [QB 32 HG 141 QB 106] [HN 120 HN 142 HN 46] )
&rst
ixpk= 42906, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.11, r4= 9.61,
igr1= 500, 501,2209,1653,1654,
igr2=1867,2221, 714,
&end
#
# 32 GLU QG 119 VAL MG2 6.00 (# 42915.1 Unique )
&rst
ixpk= 42915, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 503, 504,
igr2=1861,1862,1863,
&end
#
# 32 GLU QG 0 AMB m:42918 5.20 (# 42918.1 Single Ambig [QG1 68 MG2 81 QB 24] )
&rst
ixpk= 42918, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 503, 504,
igr2=1056,1057,1257,1258,1259, 389, 390,
&end
#
# 32 GLU QG 0 AMB m:42927 5.80 (# 42927.1 Single Ambig [QB 33 HA 65] )
&rst
ixpk= 42927, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 503, 504,
igr2= 515, 516,1003,
&end
#
# 32 GLU QG 31 THR HN 5.60 (# 42931.1 Unique )
&rst
ixpk= 42931, nxpk= 0, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 503, 504,
&end
#
# 35 LEU HG 0 AMB m:42934 6.00 (# 42934.1 Single Ambig [HA 32 HA 124 HA 121] )
&rst
ixpk= 42934, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 498,1929,1879,
&end
#
# 35 LEU HG 0 AMB m:42939 3.40 (# 42939.1 Single Ambig [QB 35 QB 38] )
&rst
ixpk= 42939, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 551, 552, 596, 597,
&end
#
# 35 LEU HG 0 AMB m:42943 4.90 (# 42943.1 Single Ambig [MG2 64 MG1 39] )
&rst
ixpk= 42943, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 995, 996, 997, 617, 618, 619,
&end
#
# 0 AMB m:42951a 0 AMB m:42951b 5.40 (# 42951.1 Double Ambig [HA 36 HA 35] [HB 39 QB 61 QB 112 QG 65 QB 20] )
&rst
ixpk= 42951, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.74, r4= 9.24,
igr1= 568, 549,
igr2= 615, 935, 936,1749,1750,1008,1009, 321, 322,
&end
#
# 0 AMB m:42958 40 ARG HN 6.00 (# 42958.1 Single Ambig [HA 36 HA 35] )
&rst
ixpk= 42958, nxpk= 0, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 568, 549,
&end
#
# 36 LEU QB 0 AMB m:42962 6.00 (# 42962.1 Single Ambig [MG2 64 MG2 39] )
&rst
ixpk= 42962, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 570, 571,
igr2= 995, 996, 997, 621, 622, 623,
&end
#
# 0 AMB m:42966a 0 AMB m:42966b 3.50 (# 42966.1 Double Ambig [HG 109 HG 35] [MD 113 MD1 50 MD2 124] )
&rst
ixpk= 42966, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1707, 554,
igr2=1777,1778,1779, 775, 776, 777,1940,1941,1942,
&end
#
# 0 AMB m:42976a 0 AMB m:42976b 5.60 (# 42976.1 Double Ambig [MD1 24 MD1 98] [HA 21 HA 95] )
&rst
ixpk= 42976, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1= 394, 395, 396,1546,1547,1548,
igr2= 334,1483,
&end
#
# 36 LEU MD2 0 AMB m:42988 3.30 (# 42988.1 Single Ambig [QB 20 QG 65 HB 64] )
&rst
ixpk= 42988, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 579, 580, 581,
igr2= 321, 322,1008,1009, 989,
&end
#
# 36 LEU MD2 0 AMB m:42993 3.90 (# 42993.1 Single Ambig [QG 20 QB 65] )
&rst
ixpk= 42993, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 579, 580, 581,
igr2= 324, 325,1005,1006,
&end
#
# 36 LEU MD2 20 GLU QG 6.00 (# 42997.1 Unique )
&rst
ixpk= 42997, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 579, 580, 581,
igr2= 324, 325,
&end
#
# 36 LEU MD2 0 AMB m:43000 5.60 (# 43000.1 Single Ambig [QG1 68 QB 24 QB 35] )
&rst
ixpk= 43000, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.07, r4= 9.57,
igr1= 579, 580, 581,
igr2=1056,1057, 389, 390, 551, 552,
&end
#
# 0 AMB m:43012a 0 AMB m:43012b 3.30 (# 43012.1 Double Ambig [HA 22 HA 38] [QB 22 HG 38] )
&rst
ixpk= 43012, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 344, 594,
igr2= 346, 347, 599,
&end
#
# 0 AMB m:43016a 0 AMB m:43016b 6.00 (# 43016.1 Double Ambig [HA 38 HA 22] [MD2 38 MD2 22 MD1 22 MD1 38] )
&rst
ixpk= 43016, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 594, 344,
igr2= 605, 606, 607, 355, 356, 357, 351, 352, 353, 601,
602, 603,
&end
#
# 0 AMB m:43022a 0 AMB m:43022b 3.70 (# 43022.1 Double Ambig [HA 38 HA 22] [QB 38 QB 73 HB 108] )
&rst
ixpk= 43022, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 594, 344,
igr2= 596, 597,1124,1125,1685,
&end
#
# 0 AMB m:43027a 0 AMB m:43027b 6.00 (# 43027.1 Double Ambig [HA 38 HA 22] [MG2 105 MB 46 QB 24] )
&rst
ixpk= 43027, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 594, 344,
igr2=1641,1642,1643, 718, 719, 720, 389, 390,
&end
#
# 0 AMB m:43032a 0 AMB m:43032b 3.50 (# 43032.1 Double Ambig [HA 22 HA 38] [HN 26 HN 38 HN 23] )
&rst
ixpk= 43032, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 344, 594,
igr2= 411, 592, 361,
&end
#
# 38 LEU QB 0 AMB m:43037 6.00 (# 43037.1 Single Ambig [HA 109 HA 39 HA 10 HA 47] )
&rst
ixpk= 43037, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 596, 597,
igr2=1702, 613, 164, 726,
&end
#
# 38 LEU QB 0 AMB m:43043 6.00 (# 43043.1 Single Ambig [QA 42 HA 105 QA 37] )
&rst
ixpk= 43043, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 596, 597,
igr2= 668, 669,1637, 587, 588,
&end
#
# 38 LEU QB 0 AMB m:43048 6.00 (# 43048.1 Single Ambig [QA 42 QA 37] )
&rst
ixpk= 43048, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 596, 597,
igr2= 668, 669, 587, 588,
&end
#
# 38 LEU QB 0 AMB m:43053 5.80 (# 43053.1 Single Ambig [MD1 50 MD2 50 MD2 124 MD 60] )
&rst
ixpk= 43053, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
igr1= 596, 597,
igr2= 775, 776, 777, 779, 780, 781,1940,1941,1942, 925,
926, 927,
&end
#
# 38 LEU QB 0 AMB m:43059 6.00 (# 43059.1 Single Ambig [MG2 39 QG1 108] )
&rst
ixpk= 43059, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 596, 597,
igr2= 621, 622, 623,1691,1692,
&end
#
# 38 LEU QB 0 AMB m:43067 5.60 (# 43067.1 Single Ambig [MB 46 QB 35 HG 35 MG2 105] )
&rst
ixpk= 43067, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.07, r4= 9.57,
igr1= 596, 597,
igr2= 718, 719, 720, 551, 552, 554,1641,1642,1643,
&end
#
# 38 LEU QB 0 AMB m:43073 6.00 (# 43073.1 Single Ambig [QB 35 HG 35 MB 46 MG2 105] )
&rst
ixpk= 43073, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 596, 597,
igr2= 551, 552, 554, 718, 719, 720,1641,1642,1643,
&end
#
# 38 LEU QB 0 AMB m:43079 6.00 (# 43079.1 Single Ambig [MG1 13 QB 112] )
&rst
ixpk= 43079, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 596, 597,
igr2= 217, 218, 219,1749,1750,
&end
#
# 38 LEU QB 0 AMB m:43083 6.00 (# 43083.1 Single Ambig [MG2 39 MG1 39] )
&rst
ixpk= 43083, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 596, 597,
igr2= 621, 622, 623, 617, 618, 619,
&end
#
# 38 LEU QB 0 AMB m:43087 6.00 (# 43087.1 Single Ambig [MD1 50 MD2 50 MD2 124 MD 60] )
&rst
ixpk= 43087, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 596, 597,
igr2= 775, 776, 777, 779, 780, 781,1940,1941,1942, 925,
926, 927,
&end
#
# 38 LEU HG 0 AMB m:43093 6.00 (# 43093.1 Single Ambig [HA 10 HA 109 HA 39] )
&rst
ixpk= 43093, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 164,1702, 613,
&end
#
# 38 LEU HG 0 AMB m:43098 6.00 (# 43098.1 Single Ambig [HA 105 QA 37] )
&rst
ixpk= 43098, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1637, 587, 588,
&end
#
# 38 LEU HG 0 AMB m:43102 6.00 (# 43102.1 Single Ambig [QA 42 HA 34] )
&rst
ixpk= 43102, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 668, 669, 530,
&end
#
# 38 LEU HG 0 AMB m:43106 6.00 (# 43106.1 Single Ambig [MB 46 MG2 105 QB 35] )
&rst
ixpk= 43106, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr2= 718, 719, 720,1641,1642,1643, 551, 552,
&end
#
# 38 LEU HG 0 AMB m:43111 5.00 (# 43111.1 Single Ambig [MG2 34 MD1 112 MG2 108 MD2 14] )
&rst
ixpk= 43111, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr2= 534, 535, 536,1754,1755,1756,1687,1688,1689, 240,
241, 242,
&end
#
# 0 AMB m:43120a 0 AMB m:43120b 4.50 (# 43120.1 Double Ambig [MD1 16 MD2 38] [HE 40 HN 47 HN 108] )
&rst
ixpk= 43120, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 265, 266, 267, 605, 606, 607,
igr2= 640, 724,1681,
&end
#
# 0 AMB m:43128a 0 AMB m:43128b 3.10 (# 43128.1 Double Ambig [MD2 38 MD1 16] [HA 105 QA 37 HA 46] )
&rst
ixpk= 43128, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 605, 606, 607, 265, 266, 267,
igr2=1637, 587, 588, 716,
&end
#
# 0 AMB m:43133 13 VAL HB 5.10 (# 43133.1 Single Ambig [MD2 38 MD1 16] )
&rst
ixpk= 43133, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 605, 606, 607, 265, 266, 267,
&end
#
# 38 LEU MD1 112 LEU HN 6.00 (# 43137.1 Unique )
&rst
ixpk= 43137, nxpk= 0, iat= -1,1745, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 601, 602, 603,
&end
#
# 38 LEU MD1 0 AMB m:43144 6.00 (# 43144.1 Single Ambig [HN 39 HN 34] )
&rst
ixpk= 43144, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 601, 602, 603,
igr2= 611, 528,
&end
#
# 38 LEU MD1 0 AMB m:43148 6.00 (# 43148.1 Single Ambig [HN 108 HN 110 HN 113] )
&rst
ixpk= 43148, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 601, 602, 603,
igr2=1681,1719,1764,
&end
#
# 38 LEU MD1 108 ILE HA 6.00 (# 43153.1 Unique )
&rst
ixpk= 43153, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 601, 602, 603,
&end
#
# 38 LEU MD1 0 AMB m:43156 5.40 (# 43156.1 Single Ambig [HB 105 HB 31] )
&rst
ixpk= 43156, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 601, 602, 603,
igr2=1639, 486,
&end
#
# 38 LEU MD1 0 AMB m:43160 6.00 (# 43160.1 Single Ambig [HA 10 HA 47 QA 111 QA 44 QB 107] )
&rst
ixpk= 43160, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 601, 602, 603,
igr2= 164, 726,1740,1741, 690, 691,1668,1669,
&end
#
# 38 LEU MD1 0 AMB m:43176 4.80 (# 43176.1 Single Ambig [HA 105 HA 31 HA 106 HA 46] )
&rst
ixpk= 43176, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr1= 601, 602, 603,
igr2=1637, 484,1651, 716,
&end
#
# 38 LEU MD1 0 AMB m:43182 5.10 (# 43182.1 Single Ambig [MD1 50 MD 113 MD2 50 MD2 124 MG1 103] )
&rst
ixpk= 43182, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.62, r4=10.12,
igr1= 601, 602, 603,
igr2= 775, 776, 777,1777,1778,1779, 779, 780, 781,1940,
1941,1942,1618,1619,1620,
&end
#
# 38 LEU MD1 0 AMB m:43189 5.40 (# 43189.1 Single Ambig [QB 112 MG1 13] )
&rst
ixpk= 43189, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.48, r4= 8.98,
igr1= 601, 602, 603,
igr2=1749,1750, 217, 218, 219,
&end
#
# 38 LEU MD1 0 AMB m:43193 6.00 (# 43193.1 Single Ambig [QG1 108 MG2 39] )
&rst
ixpk= 43193, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 601, 602, 603,
igr2=1691,1692, 621, 622, 623,
&end
#
# 38 LEU MD1 0 AMB m:43197 5.20 (# 43197.1 Single Ambig [HG 112 QG1 108 HG 14] )
&rst
ixpk= 43197, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 601, 602, 603,
igr2=1752,1691,1692, 234,
&end
#
# 38 LEU MD1 112 LEU QB 6.00 (# 43202.1 Unique )
&rst
ixpk= 43202, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 601, 602, 603,
igr2=1749,1750,
&end
#
# 38 LEU MD1 13 VAL HB 6.00 (# 43205.1 Unique )
&rst
ixpk= 43205, nxpk= 0, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 601, 602, 603,
&end
#
# 39 VAL HA 0 AMB m:43219 6.00 (# 43219.1 Single Ambig [MD 60 MG2 60 MD2 50] )
&rst
ixpk= 43219, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 925, 926, 927, 918, 919, 920, 779, 780, 781,
&end
#
# 39 VAL HA 0 AMB m:43227 6.00 (# 43227.1 Single Ambig [QB 50 QB 40 HG 36] )
&rst
ixpk= 43227, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2= 770, 771, 631, 632, 573,
&end
#
# 39 VAL HA 38 LEU QB 4.60 (# 43233.1 Unique )
&rst
ixpk= 43233, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 596, 597,
&end
#
# 39 VAL HA 0 AMB m:43236 6.00 (# 43236.1 Single Ambig [QB 50 MB 46 HG 35 QB 35] )
&rst
ixpk= 43236, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr2= 770, 771, 718, 719, 720, 554, 551, 552,
&end
#
# 39 VAL HB 0 AMB m:43245 6.00 (# 43245.1 Single Ambig [HN 41 HN 36] )
&rst
ixpk= 43245, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 651, 566,
&end
#
# 39 VAL HB 0 AMB m:43252 4.80 (# 43252.1 Single Ambig [HA 36 HA 35] )
&rst
ixpk= 43252, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 568, 549,
&end
#
# 39 VAL HB 0 AMB m:43260 6.00 (# 43260.1 Single Ambig [MD 60 MG2 60] )
&rst
ixpk= 43260, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 925, 926, 927, 918, 919, 920,
&end
#
# 39 VAL HB 0 AMB m:43264 5.60 (# 43264.1 Single Ambig [MD1 36 QG1 60 MD1 35 MD1 16 MG1 123] )
&rst
ixpk= 43264, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 8.69, r4= 9.19,
igr2= 575, 576, 577, 922, 923, 556, 557, 558, 265, 266,
267,1917,1918,1919,
&end
#
# 39 VAL MG1 0 AMB m:43275 6.00 (# 43275.1 Single Ambig [HN 51 HN 62 HN 55] )
&rst
ixpk= 43275, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 617, 618, 619,
igr2= 785, 948, 838,
&end
#
# 39 VAL MG1 51 GLN QB 6.00 (# 43280.1 Unique )
&rst
ixpk= 43280, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 617, 618, 619,
igr2= 789, 790,
&end
#
# 39 VAL MG1 0 AMB m:43288 6.00 (# 43288.1 Single Ambig [HA 61 QA 37 QA 42] )
&rst
ixpk= 43288, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 617, 618, 619,
igr2= 933, 587, 588, 668, 669,
&end
#
# 39 VAL MG1 0 AMB m:43293 6.00 (# 43293.1 Single Ambig [QB 50 QB 59 HG 36 QB 40] )
&rst
ixpk= 43293, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
igr1= 617, 618, 619,
igr2= 770, 771, 894, 895, 573, 631, 632,
&end
#
# 39 VAL MG1 0 AMB m:43300 5.80 (# 43300.1 Single Ambig [QB 61 QB 58 QB 38] )
&rst
ixpk= 43300, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.39, r4= 9.89,
igr1= 617, 618, 619,
igr2= 935, 936, 879, 880, 596, 597,
&end
#
# 39 VAL MG2 61 GLN QB 6.00 (# 43315.1 Unique )
&rst
ixpk= 43315, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 621, 622, 623,
igr2= 935, 936,
&end
#
# 39 VAL MG2 0 AMB m:43326 4.70 (# 43326.1 Single Ambig [QB 50 HG 36 QB 40 QB 36] )
&rst
ixpk= 43326, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 621, 622, 623,
igr2= 770, 771, 573, 631, 632, 570, 571,
&end
#
# 39 VAL MG2 0 AMB m:43333 6.00 (# 43333.1 Single Ambig [QB 55 HG 38 HG 124] )
&rst
ixpk= 43333, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 621, 622, 623,
igr2= 842, 843, 599,1934,
&end
#
# 39 VAL MG2 0 AMB m:43342 3.90 (# 43342.1 Single Ambig [HG 35 QB 50 QB 35] )
&rst
ixpk= 43342, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 621, 622, 623,
igr2= 554, 770, 771, 551, 552,
&end
#
# 40 ARG QB 37 GLY QA 4.60 (# 43347.1 Unique )
&rst
ixpk= 43347, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 631, 632,
igr2= 587, 588,
&end
#
# 40 ARG QB 16 LEU QB 6.00 (# 43351.1 Unique )
&rst
ixpk= 43351, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 631, 632,
igr2= 260, 261,
&end
#
# 115 GLU QG 115 GLU HA 4.30 (# 43358.1 Unique )
&rst
ixpk= 43358, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1814,1815,
&end
#
# 0 AMB m:43361a 0 AMB m:43361b 5.60 (# 43361.1 Double Ambig [QG 41 QG 115] [HA 13 HA 87 QB 83] )
&rst
ixpk= 43361, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
igr1= 658, 659,1814,1815,
igr2= 213,1359,1283,1284,
&end
#
# 0 AMB m:43369a 0 AMB m:43369b 3.90 (# 43369.1 Double Ambig [QG 115 QG 41] [MG2 87 MG1 13] )
&rst
ixpk= 43369, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1814,1815, 658, 659,
igr2=1367,1368,1369, 217, 218, 219,
&end
#
# 0 AMB m:43373a 0 AMB m:43373b 4.30 (# 43373.1 Double Ambig [QG 41 QG 115] [MD1 16 MD1 90] )
&rst
ixpk= 43373, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 658, 659,1814,1815,
igr2= 265, 266, 267,1416,1417,1418,
&end
#
# 0 AMB m:43377a 0 AMB m:43377b 2.90 (# 43377.1 Double Ambig [QG 115 QG 41] [QB 115 QB 41] )
&rst
ixpk= 43377, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1814,1815, 658, 659,
igr2=1811,1812, 655, 656,
&end
#
# 115 GLU QG 31 THR MG2 4.50 (# 43381.1 Unique )
&rst
ixpk= 43381, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1814,1815,
igr2= 488, 489, 490,
&end
#
# 41 GLU QG 0 AMB m:43384 5.60 (# 43384.1 Single Ambig [HN 43 HN 40] )
&rst
ixpk= 43384, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 658, 659,
igr2= 673, 627,
&end
#
# 43 GLU HA 48 LYS QB 4.50 (# 43393.1 Unique; orig = 3.50 )
&rst
ixpk= 43393, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 738, 739,
&end
#
# 45 ILE HB 0 AMB m:43402 5.60 (# 43402.1 Single Ambig [HA 106 HA 46] )
&rst
ixpk= 43402, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1651, 716,
&end
#
# 45 ILE MG2 0 AMB m:43409 6.00 (# 43409.1 Single Ambig [HN 47 HE1 100 HN 110] )
&rst
ixpk= 43409, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 701, 702, 703,
igr2= 724,1572,1719,
&end
#
# 45 ILE MG2 0 AMB m:43414 6.00 (# 43414.1 Single Ambig [HA 139 QA 143 HA 48] )
&rst
ixpk= 43414, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 701, 702, 703,
igr2=2168,2242,2243, 736,
&end
#
# 45 ILE MG2 0 AMB m:43419 6.00 (# 43419.1 Single Ambig [HA 49 QA 44 QB 144 HA 47] )
&rst
ixpk= 43419, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 701, 702, 703,
igr2= 758, 690, 691,2251,2252, 726,
&end
#
# 45 ILE MG2 0 AMB m:43425 6.00 (# 43425.1 Single Ambig [HA 106 HA 46] )
&rst
ixpk= 43425, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 701, 702, 703,
igr2=1651, 716,
&end
#
# 45 ILE MG2 0 AMB m:43432 3.00 (# 43432.1 Single Ambig [HG 141 QB 106 QG 106] )
&rst
ixpk= 43432, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 701, 702, 703,
igr2=2209,1653,1654,1656,1657,
&end
#
# 45 ILE MG2 0 AMB m:43437 6.00 (# 43437.1 Single Ambig [MB 49 QG 106] )
&rst
ixpk= 43437, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 701, 702, 703,
igr2= 760, 761, 762,1656,1657,
&end
#
# 45 ILE MG2 0 AMB m:43444 6.00 (# 43444.1 Single Ambig [QB 137 QB 109] )
&rst
ixpk= 43444, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 701, 702, 703,
igr2=2137,2138,1704,1705,
&end
#
# 45 ILE MG2 142 LEU QB 6.00 (# 43449.1 Unique )
&rst
ixpk= 43449, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 701, 702, 703,
igr2=2225,2226,
&end
#
# 45 ILE MD 44 GLY QA 6.00 (# 43455.1 Unique )
&rst
ixpk= 43455, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 708, 709, 710,
igr2= 690, 691,
&end
#
# 45 ILE MD 0 AMB m:43458 6.00 (# 43458.1 Single Ambig [QA 143 HA 139] )
&rst
ixpk= 43458, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 708, 709, 710,
igr2=2242,2243,2168,
&end
#
# 45 ILE MD 0 AMB m:43462 6.00 (# 43462.1 Single Ambig [HA 48 HA 49 QB 144] )
&rst
ixpk= 43462, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 708, 709, 710,
igr2= 736, 758,2251,2252,
&end
#
# 45 ILE MD 0 AMB m:43467 3.80 (# 43467.1 Single Ambig [HG 141 QB 48 QB 106] )
&rst
ixpk= 43467, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 708, 709, 710,
igr2=2209, 738, 739,1653,1654,
&end
#
# 46 ALA MB 138 VAL HA 6.00 (# 43475.1 Unique )
&rst
ixpk= 43475, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 718, 719, 720,
&end
#
# 46 ALA MB 0 AMB m:43478 5.00 (# 43478.1 Single Ambig [HA 109 HA 47 QA 44 HA 49 HA 10] )
&rst
ixpk= 43478, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 718, 719, 720,
igr2=1702, 726, 690, 691, 758, 164,
&end
#
# 46 ALA MB 0 AMB m:43485 5.80 (# 43485.1 Single Ambig [MG2 138 MD1 110] )
&rst
ixpk= 43485, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.39, r4= 9.89,
igr1= 718, 719, 720,
igr2=2160,2161,2162,1728,1729,1730,
&end
#
# 46 ALA HA 109 LEU HN 6.00 (# 43492.1 Unique )
&rst
ixpk= 43492, nxpk= 0, iat= 716,1700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 121 ALA HA 0 AMB m:43495 3.60 (# 43495.1 Single Ambig [HA 113 QA 116] )
&rst
ixpk= 43495, nxpk= 0, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1766,1824,1825,
&end
#
# 121 ALA HA 0 AMB m:43499 6.00 (# 43499.1 Single Ambig [HG 124 HB 113 QB 122] )
&rst
ixpk= 43499, nxpk= 0, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1934,1768,1891,1892,
&end
#
# 0 AMB m:43504a 0 AMB m:43504b 6.00 (# 43504.1 Double Ambig [HA 121 HA 46] [QB 122 HG 131 QG1 45 QB 38 QB 131] )
&rst
ixpk= 43504, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1879, 716,
igr2=1891,1892,2034, 705, 706, 596, 597,2031,2032,
&end
#
# 121 ALA HA 0 AMB m:43511 3.10 (# 43511.1 Single Ambig [MD1 124 MD2 124] )
&rst
ixpk= 43511, nxpk= 0, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1936,1937,1938,1940,1941,1942,
&end
#
# 0 AMB m:43515a 0 AMB m:43515b 6.00 (# 43515.1 Double Ambig [HA 46 HA 121] [QB 109 QB 137 HB 123] )
&rst
ixpk= 43515, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 716,1879,
igr2=1704,1705,2137,2138,1915,
&end
#
# 0 AMB m:43523a 0 AMB m:43523b 5.20 (# 43523.1 Double Ambig [MB 121 MB 47] [MD1 124 MD1 50] )
&rst
ixpk= 43523, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
igr1=1881,1882,1883, 728, 729, 730,
igr2=1936,1937,1938, 775, 776, 777,
&end
#
# 0 AMB m:43527a 0 AMB m:43527b 4.10 (# 43527.1 Double Ambig [QB 48 QB 59] [HA 43 HA 55] )
&rst
ixpk= 43527, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 738, 739, 894, 895,
igr2= 675, 840,
&end
#
# 133 LYS QB 130 SER QB 6.00 (# 43531.1 Unique; orig = 5.00 )
&rst
ixpk= 43531, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2064,2065,
igr2=2020,2021,
&end
#
# 86 LYS QB 0 AMB m:43534 4.30 (# 43534.1 Single Ambig [HA 83 HA 86] )
&rst
ixpk= 43534, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1339,1340,
igr2=1281,1337,
&end
#
# 133 LYS QB 129 VAL HA 6.00 (# 43541.1 Unique )
&rst
ixpk= 43541, nxpk= 0, iat= -1,2002, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2064,2065,
&end
#
# 68 ILE QG1 65 GLU HA 3.30 (# 43544.1 Unique )
&rst
ixpk= 43544, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1056,1057,
&end
#
# 68 ILE QG1 0 AMB m:43551 6.00 (# 43551.1 Single Ambig [QG 65 HB 64] )
&rst
ixpk= 43551, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1056,1057,
igr2=1008,1009, 989,
&end
#
# 68 ILE QG1 0 AMB m:43555 6.00 (# 43555.1 Single Ambig [HA 64 HA 119] )
&rst
ixpk= 43555, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1056,1057,
igr2= 987,1853,
&end
#
# 49 ALA HA 137 GLN QB 3.50 (# 43559.1 Unique )
&rst
ixpk= 43559, nxpk= 0, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2137,2138,
&end
#
# 49 ALA HA 137 GLN QB 6.00 (# 43563.1 Unique )
&rst
ixpk= 43563, nxpk= 0, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2137,2138,
&end
#
# 49 ALA HA 137 GLN QB 4.50 (# 43566.1 Unique; orig = 3.60 )
&rst
ixpk= 43566, nxpk= 0, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2137,2138,
&end
#
# 49 ALA MB 0 AMB m:43569 6.00 (# 43569.1 Single Ambig [MD2 50 MD1 50 MD 113] )
&rst
ixpk= 43569, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.39, r4=10.89,
igr1= 760, 761, 762,
igr2= 779, 780, 781, 775, 776, 777,1777,1778,1779,
&end
#
# 49 ALA MB 0 AMB m:43574 3.90 (# 43574.1 Single Ambig [HG 50 QB 48 QB 106] )
&rst
ixpk= 43574, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 760, 761, 762,
igr2= 773, 738, 739,1653,1654,
&end
#
# 49 ALA MB 0 AMB m:43580 5.00 (# 43580.1 Single Ambig [QB 137 HB 138] )
&rst
ixpk= 43580, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 760, 761, 762,
igr2=2137,2138,2154,
&end
#
# 50 LEU QB 51 GLN HN 3.40 (# 43584.1 Unique )
&rst
ixpk= 43584, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 770, 771,
&end
#
# 50 LEU QB 0 AMB m:43587 6.00 (# 43587.1 Single Ambig [HA 51 HA 48] )
&rst
ixpk= 43587, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 770, 771,
igr2= 787, 736,
&end
#
# 50 LEU QB 55 LEU QB 3.40 (# 43591.1 Unique )
&rst
ixpk= 43591, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 770, 771,
igr2= 842, 843,
&end
#
# 50 LEU QB 0 AMB m:43594 6.00 (# 43594.1 Single Ambig [MG1 39 MG2 39] )
&rst
ixpk= 43594, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 770, 771,
igr2= 617, 618, 619, 621, 622, 623,
&end
#
# 0 AMB m:43598a 0 AMB m:43598b 3.30 (# 43598.1 Double Ambig [HA 110 HA 50] [MD 113 MD1 50 MD2 124] )
&rst
ixpk= 43598, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1721, 768,
igr2=1777,1778,1779, 775, 776, 777,1940,1941,1942,
&end
#
# 0 AMB m:43603a 0 AMB m:43603b 3.80 (# 43603.1 Double Ambig [HA 110 HA 50] [QB 110 HG 55 MB 52] )
&rst
ixpk= 43603, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1721, 768,
igr2=1723,1724, 845, 806, 807, 808,
&end
#
# 110 LEU MD2 107 HIS HA 6.00 (# 43611.1 Unique )
&rst
ixpk= 43611, nxpk= 0, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1732,1733,1734,
&end
#
# 53 LEU HA 55 LEU HN 6.00 (# 43620.1 Unique )
&rst
ixpk= 43620, nxpk= 0, iat= 814, 838, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB m:43628a 0 AMB m:43628b 5.40 (# 43628.1 Double Ambig [HG 16 HG 36] [HA 13 HA 64] )
&rst
ixpk= 43628, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 263, 573,
igr2= 213, 987,
&end
#
# 0 AMB m:43636a 0 AMB m:43636b 5.40 (# 43636.1 Double Ambig [HG 36 HG 142 HG 16] [HA 33 HA 142 HA 12 HA 141 HA 15] )
&rst
ixpk= 43636, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.48, r4= 8.98,
igr1= 573,2228, 263,
igr2= 513,2223, 191,2204, 248,
&end
#
# 0 AMB m:43643a 0 AMB m:43643b 3.80 (# 43643.1 Double Ambig [HG 90 HG 53 HG 36] [QB 90 QB 137 QG 20] )
&rst
ixpk= 43643, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1414, 819, 573,
igr2=1411,1412,2137,2138, 324, 325,
&end
#
# 55 LEU HA 0 AMB m:43653 5.20 (# 43653.1 Single Ambig [MD1 127 MD 60] )
&rst
ixpk= 43653, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2=1983,1984,1985, 925, 926, 927,
&end
#
# 55 LEU HA 0 AMB m:43657 5.60 (# 43657.1 Single Ambig [QB 59 QB 127] )
&rst
ixpk= 43657, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2= 894, 895,1978,1979,
&end
#
# 55 LEU HA 0 AMB m:43662 6.00 (# 43662.1 Single Ambig [QB 59 HG 127 QB 50] )
&rst
ixpk= 43662, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2= 894, 895,1981, 770, 771,
&end
#
# 55 LEU QB 0 AMB m:43671 6.00 (# 43671.1 Single Ambig [HA 57 HA 124 QA 54] )
&rst
ixpk= 43671, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 842, 843,
igr2= 866,1929, 833, 834,
&end
#
# 55 LEU QB 51 GLN HA 6.00 (# 43676.1 Unique )
&rst
ixpk= 43676, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 842, 843,
&end
#
# 55 LEU QB 0 AMB m:43679 3.30 (# 43679.1 Single Ambig [MD 60 MD1 127 MD2 50] )
&rst
ixpk= 43679, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 842, 843,
igr2= 925, 926, 927,1983,1984,1985, 779, 780, 781,
&end
#
# 55 LEU QB 0 AMB m:43684 3.10 (# 43684.1 Single Ambig [MD1 55 MD2 55 QG1 60 MG2 129] )
&rst
ixpk= 43684, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 842, 843,
igr2= 847, 848, 849, 851, 852, 853, 922, 923,2010,2011,
2012,
&end
#
# 55 LEU QB 0 AMB m:43690 6.00 (# 43690.1 Single Ambig [MD1 50 MD2 124] )
&rst
ixpk= 43690, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 842, 843,
igr2= 775, 776, 777,1940,1941,1942,
&end
#
# 55 LEU QB 0 AMB m:43694 6.00 (# 43694.1 Single Ambig [QB 50 QB 59 HG 127 QB 53] )
&rst
ixpk= 43694, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr1= 842, 843,
igr2= 770, 771, 894, 895,1981, 816, 817,
&end
#
# 55 LEU QB 60 ILE QG1 5.00 (# 43700.1 Unique )
&rst
ixpk= 43700, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 842, 843,
igr2= 922, 923,
&end
#
# 55 LEU QB 54 GLY HN 6.00 (# 43703.1 Unique )
&rst
ixpk= 43703, nxpk= 0, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 842, 843,
&end
#
# 55 LEU QB 0 AMB m:43706 4.30 (# 43706.1 Single Ambig [MD 60 MD1 127 MD2 50] )
&rst
ixpk= 43706, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 842, 843,
igr2= 925, 926, 927,1983,1984,1985, 779, 780, 781,
&end
#
# 55 LEU QB 39 VAL MG1 6.00 (# 43711.1 Unique )
&rst
ixpk= 43711, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 842, 843,
igr2= 617, 618, 619,
&end
#
# 55 LEU QB 0 AMB m:43714 5.20 (# 43714.1 Single Ambig [QB 50 QB 53 QB 59 HG 127] )
&rst
ixpk= 43714, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 842, 843,
igr2= 770, 771, 816, 817, 894, 895,1981,
&end
#
# 55 LEU MD2 0 AMB m:43720 6.00 (# 43720.1 Single Ambig [QA 54 QA 56 QA 128] )
&rst
ixpk= 43720, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 851, 852, 853,
igr2= 833, 834, 859, 860,1995,1996,
&end
#
# 55 LEU MD2 0 AMB m:43725 4.70 (# 43725.1 Single Ambig [HG 127 QB 59 QB 53] )
&rst
ixpk= 43725, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
igr1= 851, 852, 853,
igr2=1981, 894, 895, 816, 817,
&end
#
# 55 LEU MD2 0 AMB m:43731 6.00 (# 43731.1 Single Ambig [QB 127 QB 55] )
&rst
ixpk= 43731, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 851, 852, 853,
igr2=1978,1979, 842, 843,
&end
#
# 55 LEU MD1 0 AMB m:43750 4.70 (# 43750.1 Single Ambig [QB 53 QG1 60] )
&rst
ixpk= 43750, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 847, 848, 849,
igr2= 816, 817, 922, 923,
&end
#
# 55 LEU MD1 0 AMB m:43754 6.00 (# 43754.1 Single Ambig [QB 127 HG 50] )
&rst
ixpk= 43754, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 847, 848, 849,
igr2=1978,1979, 773,
&end
#
# 57 SER HA 0 AMB m:43758 5.10 (# 43758.1 Single Ambig [HA 58 HA 40 HA 59] )
&rst
ixpk= 43758, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 877, 629, 892,
&end
#
# 57 SER HA 56 GLY QA 5.60 (# 43763.1 Unique )
&rst
ixpk= 43763, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 859, 860,
&end
#
# 57 SER HA 0 AMB m:43778 6.00 (# 43778.1 Single Ambig [QB 50 QB 59 HG 36] )
&rst
ixpk= 43778, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2= 770, 771, 894, 895, 573,
&end
#
# 57 SER QB 0 AMB m:43788 6.00 (# 43788.1 Single Ambig [QB 58 QB 61] )
&rst
ixpk= 43788, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 868, 869,
igr2= 879, 880, 935, 936,
&end
#
# 57 SER HA 60 ILE QG1 6.00 (# 43793.1 Unique )
&rst
ixpk= 43793, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 922, 923,
&end
#
# 58 GLU HA 0 AMB m:43799 6.00 (# 43799.1 Single Ambig [MD 60 MG2 60] )
&rst
ixpk= 43799, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 925, 926, 927, 918, 919, 920,
&end
#
# 58 GLU HA 0 AMB m:43803 6.00 (# 43803.1 Single Ambig [MD1 36 QG1 60 MD2 127 MG1 64 MG1 123] )
&rst
ixpk= 43803, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
igr2= 575, 576, 577, 922, 923,1987,1988,1989, 991, 992,
993,1917,1918,1919,
&end
#
# 58 GLU HA 0 AMB m:43810 3.40 (# 43810.1 Single Ambig [QG 58 QB 61] )
&rst
ixpk= 43810, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 882, 883, 935, 936,
&end
#
# 58 GLU QB 58 GLU QG 4.00 (# 43819.1 Unique )
&rst
ixpk= 43819, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 879, 880,
igr2= 882, 883,
&end
#
# 60 ILE HA 0 AMB m:43822 6.00 (# 43822.1 Single Ambig [HG 127 QB 59 QB 62] )
&rst
ixpk= 43822, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=1981, 894, 895, 952, 953,
&end
#
# 60 ILE HA 0 AMB m:43829 6.00 (# 43829.1 Single Ambig [QB 55 QB 127 HG 124] )
&rst
ixpk= 43829, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2= 842, 843,1978,1979,1934,
&end
#
# 60 ILE HA 0 AMB m:43834 5.60 (# 43834.1 Single Ambig [QB 62 QB 59 HG 55] )
&rst
ixpk= 43834, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr2= 952, 953, 894, 895, 845,
&end
#
# 60 ILE HA 0 AMB m:43839 5.50 (# 43839.1 Single Ambig [MG2 64 MG1 39 MG2 123] )
&rst
ixpk= 43839, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2= 995, 996, 997, 617, 618, 619,1921,1922,1923,
&end
#
# 60 ILE HB 0 AMB m:43848 6.00 (# 43848.1 Single Ambig [HA 58 HA 59] )
&rst
ixpk= 43848, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 877, 892,
&end
#
# 60 ILE HB 61 GLN HA 6.00 (# 43852.1 Unique )
&rst
ixpk= 43852, nxpk= 0, iat= 916, 933, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 60 ILE HB 0 AMB m:43855 4.70 (# 43855.1 Single Ambig [MG1 39 MG2 64] )
&rst
ixpk= 43855, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 617, 618, 619, 995, 996, 997,
&end
#
# 60 ILE HB 0 AMB m:43859 3.90 (# 43859.1 Single Ambig [QG1 60 MG1 123 MD1 36 MD1 35] )
&rst
ixpk= 43859, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 922, 923,1917,1918,1919, 575, 576, 577, 556, 557,
558,
&end
#
# 60 ILE HB 50 LEU MD1 6.00 (# 43865.1 Unique )
&rst
ixpk= 43865, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 775, 776, 777,
&end
#
# 60 ILE QG1 0 AMB m:43868 6.00 (# 43868.1 Single Ambig [HA 57 QB 57] )
&rst
ixpk= 43868, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 922, 923,
igr2= 866, 868, 869,
&end
#
# 60 ILE MG2 0 AMB m:43876 6.00 (# 43876.1 Single Ambig [HN 124 HN 62] )
&rst
ixpk= 43876, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 918, 919, 920,
igr2=1927, 948,
&end
#
# 60 ILE MG2 0 AMB m:43880 6.00 (# 43880.1 Single Ambig [HN 36 HN 35] )
&rst
ixpk= 43880, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 918, 919, 920,
igr2= 566, 547,
&end
#
# 60 ILE MG2 0 AMB m:43891 5.00 (# 43891.1 Single Ambig [HB 39 QB 63 HB 123] )
&rst
ixpk= 43891, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 918, 919, 920,
igr2= 615, 974, 975,1915,
&end
#
# 60 ILE MD 0 AMB m:43901 5.20 (# 43901.1 Single Ambig [HN 61 HN 57] )
&rst
ixpk= 43901, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 925, 926, 927,
igr2= 931, 864,
&end
#
# 78 ILE MD 79 HIS HN 5.30 (# 43905.1 Unique )
&rst
ixpk= 43905, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1207,1208,1209,
&end
#
# 0 AMB m:43911a 0 AMB m:43911b 5.40 (# 43911.1 Double Ambig [MD 78 MD 60] [HA 19 HA 29 HA 36] )
&rst
ixpk= 43911, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.74, r4= 9.24,
igr1=1207,1208,1209, 925, 926, 927,
igr2= 304, 458, 568,
&end
#
# 60 ILE MD 55 LEU HA 5.40 (# 43916.1 Unique )
&rst
ixpk= 43916, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 925, 926, 927,
&end
#
# 0 AMB m:43919a 0 AMB m:43919b 4.50 (# 43919.1 Double Ambig [MD 60 MD 78] [HB 39 QB 18] )
&rst
ixpk= 43919, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 925, 926, 927,1207,1208,1209,
igr2= 615, 289, 290,
&end
#
# 60 ILE MD 0 AMB m:43923 6.00 (# 43923.1 Single Ambig [QB 61 QG 58]; orig = 4.50 )
&rst
ixpk= 43923, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 925, 926, 927,
igr2= 935, 936, 882, 883,
&end
#
# 0 AMB m:43931a 0 AMB m:43931b 3.40 (# 43931.1 Double Ambig [MD 60 MD 78] [QB 50 HG 35 HB 29] )
&rst
ixpk= 43931, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 925, 926, 927,1207,1208,1209,
igr2= 770, 771, 554, 460,
&end
#
# 0 AMB m:43936a 0 AMB m:43936b 3.80 (# 43936.1 Double Ambig [MD 78 MD 60] [QB 22 QB 59] )
&rst
ixpk= 43936, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1207,1208,1209, 925, 926, 927,
igr2= 346, 347, 894, 895,
&end
#
# 60 ILE MD 0 AMB m:43940 4.30 (# 43940.1 Single Ambig [QB 50 QB 59 HG 127] )
&rst
ixpk= 43940, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 925, 926, 927,
igr2= 770, 771, 894, 895,1981,
&end
#
# 61 GLN HA 0 AMB m:43946 5.60 (# 43946.1 Single Ambig [HA 58 HA 62] )
&rst
ixpk= 43946, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 877, 950,
&end
#
# 61 GLN HA 0 AMB m:43950 4.70 (# 43950.1 Single Ambig [MG2 64 MG2 123] )
&rst
ixpk= 43950, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 995, 996, 997,1921,1922,1923,
&end
#
# 61 GLN HA 0 AMB m:43954 4.60 (# 43954.1 Single Ambig [MG1 64 MG2 60 MD 68] )
&rst
ixpk= 43954, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 991, 992, 993, 918, 919, 920,1059,1060,1061,
&end
#
# 61 GLN HA 0 AMB m:43959 6.00 (# 43959.1 Single Ambig [QB 36 QG1 60 QG1 68] )
&rst
ixpk= 43959, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 570, 571, 922, 923,1056,1057,
&end
#
# 61 GLN HA 0 AMB m:43964 6.00 (# 43964.1 Single Ambig [QB 32 QB 62] )
&rst
ixpk= 43964, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 500, 501, 952, 953,
&end
#
# 61 GLN HA 0 AMB m:43968 4.60 (# 43968.1 Single Ambig [HG 36 HB 60 QB 36] )
&rst
ixpk= 43968, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 573, 916, 570, 571,
&end
#
# 0 AMB m:43973a 0 AMB m:43973b 6.00 (# 43973.1 Double Ambig [QB 18 QB 61] [HN 22 HN 21 HN 63] )
&rst
ixpk= 43973, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 289, 290, 935, 936,
igr2= 342, 332, 970,
&end
#
# 61 GLN QB 0 AMB m:43978 6.00 (# 43978.1 Single Ambig [MG2 60 MD 60] )
&rst
ixpk= 43978, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 935, 936,
igr2= 918, 919, 920, 925, 926, 927,
&end
#
# 61 GLN QB 0 AMB m:43982 6.00 (# 43982.1 Single Ambig [MD1 36 QG1 60] )
&rst
ixpk= 43982, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 935, 936,
igr2= 575, 576, 577, 922, 923,
&end
#
# 61 GLN QB 36 LEU HA 6.00 (# 43986.1 Unique )
&rst
ixpk= 43986, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 935, 936,
&end
#
# 61 GLN QB 36 LEU HA 6.00 (# 43989.1 Unique )
&rst
ixpk= 43989, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 935, 936,
&end
#
# 61 GLN QB 0 AMB m:43992 6.00 (# 43992.1 Single Ambig [HG 36 QB 62 QB 36] )
&rst
ixpk= 43992, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 935, 936,
igr2= 573, 952, 953, 570, 571,
&end
#
# 61 GLN QB 60 ILE HB 5.40 (# 43997.1 Unique )
&rst
ixpk= 43997, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 935, 936,
&end
#
# 0 AMB m:44018 67 LEU HN 6.00 (# 44018.1 Single Ambig [QB 65 QB 63] )
&rst
ixpk= 44018, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1005,1006, 974, 975,
&end
#
# 0 AMB m:44022a 0 AMB m:44022b 6.00 (# 44022.1 Double Ambig [QB 65 QB 63] [HA 61 HA 120] )
&rst
ixpk= 44022, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1005,1006, 974, 975,
igr2= 933,1869,
&end
#
# 0 AMB m:44027a 0 AMB m:44027b 6.00 (# 44027.1 Double Ambig [QB 63 QB 65 QB 8] [HA 64 QB 9] )
&rst
ixpk= 44027, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 974, 975,1005,1006, 127, 128,
igr2= 987, 142, 143,
&end
#
# 0 AMB m:44036a 0 AMB m:44036b 3.90 (# 44036.1 Double Ambig [QB 63 QB 65] [MG2 123 MG2 64 MD2 24] )
&rst
ixpk= 44036, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 974, 975,1005,1006,
igr2=1921,1922,1923, 995, 996, 997, 398, 399, 400,
&end
#
# 63 GLU QG 123 VAL HA 6.00 (# 44041.1 Unique )
&rst
ixpk= 44041, nxpk= 0, iat= -1,1913, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 977, 978,
&end
#
# 63 GLU QG 63 GLU HA 4.90 (# 44044.1 Unique )
&rst
ixpk= 44044, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 977, 978,
&end
#
# 63 GLU QG 0 AMB m:44047 3.80 (# 44047.1 Single Ambig [HA 63 HA 59] )
&rst
ixpk= 44047, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 977, 978,
igr2= 972, 892,
&end
#
# 63 GLU QG 0 AMB m:44059 6.00 (# 44059.1 Single Ambig [MG2 123 MG2 64] )
&rst
ixpk= 44059, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 977, 978,
igr2=1921,1922,1923, 995, 996, 997,
&end
#
# 63 GLU QG 0 AMB m:44067 3.70 (# 44067.1 Single Ambig [QB 62 QB 59] )
&rst
ixpk= 44067, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 977, 978,
igr2= 952, 953, 894, 895,
&end
#
# 115 GLU QG 86 LYS QB 5.20 (# 44071.1 Unique )
&rst
ixpk= 44071, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1814,1815,
igr2=1339,1340,
&end
#
# 63 GLU QG 0 AMB m:44074 5.20 (# 44074.1 Single Ambig [QB 62 HG 127 QB 59] )
&rst
ixpk= 44074, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 977, 978,
igr2= 952, 953,1981, 894, 895,
&end
#
# 64 VAL HB 0 AMB m:44079 5.80 (# 44079.1 Single Ambig [HN 63 HN 66] )
&rst
ixpk= 44079, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 970,1016,
&end
#
# 64 VAL HB 65 GLU HA 6.00 (# 44083.1 Unique )
&rst
ixpk= 44083, nxpk= 0, iat= 989,1003, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 131 LEU MD2 0 AMB m:44095 6.00 (# 44095.1 Single Ambig [QD2 132 HN 133] )
&rst
ixpk= 44095, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2040,2041,2042,
igr2=2055,2056,2060,
&end
#
# 131 LEU MD2 114 ARG HE 6.00 (# 44103.1 Unique; orig = 4.80 )
&rst
ixpk= 44103, nxpk= 0, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2040,2041,2042,
&end
#
# 64 VAL MG2 0 AMB m:44118 6.00 (# 44118.1 Single Ambig [HA 33 HB 31] )
&rst
ixpk= 44118, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 995, 996, 997,
igr2= 513, 486,
&end
#
# 0 AMB m:44122a 0 AMB m:44122b 6.00 (# 44122.1 Double Ambig [MD2 131 MG2 64] [MD 113 MD2 124 MD1 124] )
&rst
ixpk= 44122, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
igr1=2040,2041,2042, 995, 996, 997,
igr2=1777,1778,1779,1940,1941,1942,1936,1937,1938,
&end
#
# 129 VAL MG2 53 LEU HN 6.00 (# 44135.1 Unique )
&rst
ixpk= 44135, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2010,2011,2012,
&end
#
# 129 VAL MG2 134 ALA MB 6.00 (# 44141.1 Unique )
&rst
ixpk= 44141, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2010,2011,2012,
igr2=2086,2087,2088,
&end
#
# 66 SER HA 0 AMB m:44144 6.00 (# 44144.1 Single Ambig [HG 67 QB 67] )
&rst
ixpk= 44144, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1034,1031,1032,
&end
#
# 68 ILE QG1 69 GLY QA 6.00 (# 44155.1 Unique )
&rst
ixpk= 44155, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1056,1057,
igr2=1067,1068,
&end
#
# 68 ILE MG2 69 GLY HN 5.40 (# 44158.1 Unique )
&rst
ixpk= 44158, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1052,1053,1054,
&end
#
# 68 ILE MG2 0 AMB m:44161 6.00 (# 44161.1 Single Ambig [HE 70 HN 66] )
&rst
ixpk= 44161, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1052,1053,1054,
igr2=1085,1016,
&end
#
# 68 ILE MG2 0 AMB m:44165 5.00 (# 44165.1 Single Ambig [HE1 33 HE 70] )
&rst
ixpk= 44165, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1052,1053,1054,
igr2= 520,1085,
&end
#
# 68 ILE MG2 0 AMB m:44169 6.00 (# 44169.1 Single Ambig [QB 70 QB 122]; orig = 5.30 )
&rst
ixpk= 44169, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1052,1053,1054,
igr2=1076,1077,1891,1892,
&end
#
# 68 ILE MG2 0 AMB m:44173 6.00 (# 44173.1 Single Ambig [HA 119 HA 64] )
&rst
ixpk= 44173, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1052,1053,1054,
igr2=1853, 987,
&end
#
# 68 ILE MG2 0 AMB m:44177 6.00 (# 44177.1 Single Ambig [QA 69 HA 33] )
&rst
ixpk= 44177, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1052,1053,1054,
igr2=1067,1068, 513,
&end
#
# 68 ILE MG2 67 LEU QB 4.50 (# 44181.1 Unique )
&rst
ixpk= 44181, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1052,1053,1054,
igr2=1031,1032,
&end
#
# 68 ILE MD 67 LEU HN 6.00 (# 44193.1 Unique )
&rst
ixpk= 44193, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1059,1060,1061,
&end
#
# 68 ILE MD 0 AMB m:44203 5.60 (# 44203.1 Single Ambig [HA 33 QA 118] )
&rst
ixpk= 44203, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
igr1=1059,1060,1061,
igr2= 513,1846,1847,
&end
#
# 0 AMB m:44207a 0 AMB m:44207b 2.80 (# 44207.1 Double Ambig [QB 85 QB 70] [HN 85 HN 70] )
&rst
ixpk= 44207, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1317,1318,1076,1077,
igr2=1313,1072,
&end
#
# 0 AMB m:44214a 0 AMB m:44214b 6.00 (# 44214.1 Double Ambig [QB 85 QB 70] [HA 86 QA 69 HA 83] )
&rst
ixpk= 44214, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1317,1318,1076,1077,
igr2=1337,1067,1068,1281,
&end
#
# 72 GLN HA 0 AMB m:44226 5.50 (# 44226.1 Single Ambig [QA 71 QA 25] )
&rst
ixpk= 44226, nxpk= 0, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1098,1099, 406, 407,
&end
#
# 0 AMB m:44244a 0 AMB m:44244b 5.00 (# 44244.1 Double Ambig [QB 144 QB 75] [MD2 142 MD1 22] )
&rst
ixpk= 44244, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2251,2252,1156,1157,
igr2=2234,2235,2236, 351, 352, 353,
&end
#
# 78 ILE HB 22 LEU MD2 6.00 (# 44266.1 Unique )
&rst
ixpk= 44266, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 355, 356, 357,
&end
#
# 78 ILE MG2 29 ILE QG1 2.50 (# 44269.1 Unique )
&rst
ixpk= 44269, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1200,1201,1202,
igr2= 466, 467,
&end
#
# 0 AMB m:44272a 0 AMB m:44272b 6.00 (# 44272.1 Double Ambig [MD 78 MD 60] [QB 27 QB 80 QB 126] )
&rst
ixpk= 44272, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1207,1208,1209, 925, 926, 927,
igr2= 432, 433,1234,1235,1964,1965,
&end
#
# 78 ILE MD 0 AMB m:44277 6.00 (# 44277.1 Single Ambig [HN 27 HN 29] )
&rst
ixpk= 44277, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1207,1208,1209,
igr2= 428, 456,
&end
#
# 78 ILE MD 0 AMB m:44281 6.00 (# 44281.1 Single Ambig [HN 26 HN 23 HN 75] )
&rst
ixpk= 44281, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1207,1208,1209,
igr2= 411, 361,1152,
&end
#
# 79 HIS HA 78 ILE MG2 4.20 (# 44286.1 Unique )
&rst
ixpk= 44286, nxpk= 0, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1200,1201,1202,
&end
#
# 83 ARG QB 83 ARG HE 5.80 (# 44298.1 Unique )
&rst
ixpk= 44298, nxpk= 0, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1283,1284,
&end
#
# 83 ARG QB 0 AMB m:44301 6.00 (# 44301.1 Single Ambig [HN 31 HN 85] )
&rst
ixpk= 44301, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1283,1284,
igr2= 482,1313,
&end
#
# 83 ARG QB 0 AMB m:44305 6.00 (# 44305.1 Single Ambig [HN 84 HN 87] )
&rst
ixpk= 44305, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1283,1284,
igr2=1303,1357,
&end
#
# 0 AMB m:44327a 0 AMB m:44327b 4.00 (# 44327.1 Double Ambig [HA 84 HA 10] [MG1 87 MD2 38 MD 108 MD 34 MD2 14 MD1 90] )
&rst
ixpk= 44327, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1305, 164,
igr2=1363,1364,1365, 605, 606, 607,1694,1695,1696, 541,
542, 543, 240, 241, 242,1416,1417,1418,
&end
#
# 10 ALA MB 0 AMB m:44343 5.20 (# 44343.1 Single Ambig [MG2 108 MG1 103 HN 106] )
&rst
ixpk= 44343, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 166, 167, 168,
igr2=1687,1688,1689,1618,1619,1620,1649,
&end
#
# 10 ALA MB 0 AMB m:44348 6.00 (# 44348.1 Single Ambig [QG1 108 HN 104] )
&rst
ixpk= 44348, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 166, 167, 168,
igr2=1691,1692,1628,
&end
#
# 0 AMB m:44362a 0 AMB m:44362b 5.80 (# 44362.1 Double Ambig [MB 10 MB 84] [QB 11 QB 86] )
&rst
ixpk= 44362, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
igr1= 166, 167, 168,1307,1308,1309,
igr2= 176, 177,1339,1340,
&end
#
# 0 AMB m:44367a 0 AMB m:44367b 5.40 (# 44367.1 Double Ambig [MB 84 MB 10] [QB 83 QB 9 HG 14 QG 106 QB 14] )
&rst
ixpk= 44367, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.50, r4=11.00,
igr1=1307,1308,1309, 166, 167, 168,
igr2=1283,1284, 142, 143, 234,1656,1657, 231, 232,
&end
#
# 0 AMB m:44374a 0 AMB m:44374b 4.50 (# 44374.1 Double Ambig [MB 10 MB 84] [QG1 108 QB 9 QG1 34 HB 108 QB 83] )
&rst
ixpk= 44374, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1= 166, 167, 168,1307,1308,1309,
igr2=1691,1692, 142, 143, 538, 539,1685,1283,1284,
&end
#
# 84 ALA MB 0 AMB m:44381 6.00 (# 44381.1 Single Ambig [HA 83 HA 86 QA 118] )
&rst
ixpk= 44381, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1307,1308,1309,
igr2=1281,1337,1846,1847,
&end
#
# 0 AMB m:44386a 0 AMB m:44386b 6.00 (# 44386.1 Double Ambig [HA 87 HA 138 HA 13] [MG2 31 MB 46 MG2 105 QB 109] )
&rst
ixpk= 44386, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.75, r4=11.25,
igr1=1359,2152, 213,
igr2= 488, 489, 490, 718, 719, 720,1641,1642,1643,1704,
1705,
&end
#
# 129 VAL MG2 0 AMB m:44392 6.00 (# 44392.1 Single Ambig [HN 55 HN 124 HN 140] )
&rst
ixpk= 44392, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2010,2011,2012,
igr2= 838,1927,2185,
&end
#
# 76 GLN QB 0 AMB m:44402 6.00 (# 44402.1 Single Ambig [QE2 76 QD2 27] )
&rst
ixpk= 44402, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1167,1168,
igr2=1175,1176, 437, 438,
&end
#
# 90 LEU QB 0 AMB m:44410 6.00 (# 44410.1 Single Ambig [HN 89 HN 87 HN 115] )
&rst
ixpk= 44410, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1411,1412,
igr2=1392,1357,1807,
&end
#
# 90 LEU QB 0 AMB m:44418 6.00 (# 44418.1 Single Ambig [QB 91 HA 115 HA 88] )
&rst
ixpk= 44418, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1411,1412,
igr2=1430,1431,1809,1375,
&end
#
# 90 LEU QB 0 AMB m:44423 3.60 (# 44423.1 Single Ambig [HA 87 QB 114] )
&rst
ixpk= 44423, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1411,1412,
igr2=1359,1787,1788,
&end
#
# 90 LEU QB 0 AMB m:44427 6.00 (# 44427.1 Single Ambig [HN 89 HN 115 HN 87] )
&rst
ixpk= 44427, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1411,1412,
igr2=1392,1807,1357,
&end
#
# 90 LEU QB 111 GLY QA 6.00 (# 44432.1 Unique )
&rst
ixpk= 44432, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1411,1412,
igr2=1740,1741,
&end
#
# 90 LEU QB 0 AMB m:44435 4.10 (# 44435.1 Single Ambig [HA 87 QB 114] )
&rst
ixpk= 44435, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1411,1412,
igr2=1359,1787,1788,
&end
#
# 90 LEU MD2 0 AMB m:44444 6.00 (# 44444.1 Single Ambig [HE 114 HN 92] )
&rst
ixpk= 44444, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1420,1421,1422,
igr2=1796,1437,
&end
#
# 90 LEU MD2 93 ASP QB 6.00 (# 44448.1 Unique )
&rst
ixpk= 44448, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1420,1421,1422,
igr2=1458,1459,
&end
#
# 90 LEU MD2 114 ARG QB 5.80 (# 44451.1 Unique )
&rst
ixpk= 44451, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1420,1421,1422,
igr2=1787,1788,
&end
#
# 90 LEU MD2 114 ARG QB 4.20 (# 44454.1 Unique )
&rst
ixpk= 44454, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1420,1421,1422,
igr2=1787,1788,
&end
#
# 90 LEU MD2 114 ARG QB 5.30 (# 44457.1 Unique )
&rst
ixpk= 44457, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1420,1421,1422,
igr2=1787,1788,
&end
#
# 90 LEU MD2 0 AMB m:44460 6.00 (# 44460.1 Single Ambig [QG 115 QG 94] )
&rst
ixpk= 44460, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1420,1421,1422,
igr2=1814,1815,1473,1474,
&end
#
# 90 LEU MD1 0 AMB m:44464 5.40 (# 44464.1 Single Ambig [QA 111 HA 84] )
&rst
ixpk= 44464, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1=1416,1417,1418,
igr2=1740,1741,1305,
&end
#
# 90 LEU MD1 114 ARG HA 6.00 (# 44468.1 Unique )
&rst
ixpk= 44468, nxpk= 0, iat= -1,1785, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1416,1417,1418,
&end
#
# 90 LEU MD1 0 AMB m:44474 3.30 (# 44474.1 Single Ambig [HA 87 QB 114] )
&rst
ixpk= 44474, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1416,1417,1418,
igr2=1359,1787,1788,
&end
#
# 90 LEU MD1 114 ARG QB 5.80 (# 44478.1 Unique )
&rst
ixpk= 44478, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1416,1417,1418,
igr2=1787,1788,
&end
#
# 90 LEU MD1 115 GLU QG 5.20 (# 44481.1 Unique )
&rst
ixpk= 44481, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1416,1417,1418,
igr2=1814,1815,
&end
#
# 90 LEU MD1 115 GLU QB 6.00 (# 44484.1 Unique )
&rst
ixpk= 44484, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1416,1417,1418,
igr2=1811,1812,
&end
#
# 94 GLU QB 0 AMB m:44491 3.50 (# 44491.1 Single Ambig [HA 94 QB 107] )
&rst
ixpk= 44491, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1470,1471,
igr2=1468,1668,1669,
&end
#
# 95 ALA MB 0 AMB m:44495 5.50 (# 44495.1 Single Ambig [HN 98 HN 92 HN 108 HE1 100] )
&rst
ixpk= 44495, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1485,1486,1487,
igr2=1537,1437,1681,1572,
&end
#
# 95 ALA MB 96 ARG HA 6.00 (# 44508.1 Unique )
&rst
ixpk= 44508, nxpk= 0, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1485,1486,1487,
&end
#
# 95 ALA MB 91 SER QB 6.00 (# 44511.1 Unique )
&rst
ixpk= 44511, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1485,1486,1487,
igr2=1430,1431,
&end
#
# 95 ALA MB 100 HIS QB 4.00 (# 44520.1 Unique )
&rst
ixpk= 44520, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1485,1486,1487,
igr2=1567,1568,
&end
#
# 95 ALA MB 0 AMB m:44528 6.00 (# 44528.1 Single Ambig [QG 106 HG 98 QB 97 QB 106] )
&rst
ixpk= 44528, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
igr1=1485,1486,1487,
igr2=1656,1657,1544,1519,1520,1653,1654,
&end
#
# 0 AMB m:44543a 0 AMB m:44543b 6.00 (# 44543.1 Double Ambig [QG 106 QB 48] [HN 108 HN 47 HE1 100] )
&rst
ixpk= 44543, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1656,1657, 738, 739,
igr2=1681, 724,1572,
&end
#
# 0 AMB m:44551a 0 AMB m:44551b 5.80 (# 44551.1 Double Ambig [QB 59 QB 97] [MD2 127 MD2 55 MD1 98 QG1 60] )
&rst
ixpk= 44551, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 894, 895,1519,1520,
igr2=1987,1988,1989, 851, 852, 853,1546,1547,1548, 922,
923,
&end
#
# 97 LYS QB 97 LYS HA 4.50 (# 44561.1 Unique; orig = 3.30 )
&rst
ixpk= 44561, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1519,1520,
&end
#
# 98 LEU QB 97 LYS HN 6.00 (# 44564.1 Unique )
&rst
ixpk= 44564, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1541,1542,
&end
#
# 98 LEU QB 107 HIS HE1 6.00 (# 44567.1 Unique )
&rst
ixpk= 44567, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1541,1542,
&end
#
# 0 AMB m:44581a 0 AMB m:44581b 6.00 (# 44581.1 Double Ambig [HG 98 HG 14 HG 67] [HA 139 QA 42 QA 99 HA 122 HA 17 HA 35 QA 69] )
&rst
ixpk= 44581, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1=1544, 234,1034,
igr2=2168, 668, 669,1558,1559,1889, 277, 549,1067,1068,
&end
#
# 0 AMB m:44590a 0 AMB m:44590b 6.00 (# 44590.1 Double Ambig [HG 98 HG 67] [HA 95 HA 123] )
&rst
ixpk= 44590, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1544,1034,
igr2=1483,1913,
&end
#
# 67 LEU HG 0 AMB m:44594 6.00 (# 44594.1 Single Ambig [HA 64 HA 119] )
&rst
ixpk= 44594, nxpk= 0, iat=1034, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 987,1853,
&end
#
# 0 AMB m:44602a 0 AMB m:44602b 6.00 (# 44602.1 Double Ambig [HG 67 HG 98] [QB 63 HB 123 HG 110] )
&rst
ixpk= 44602, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1034,1544,
igr2= 974, 975,1915,1726,
&end
#
# 0 AMB m:44607a 0 AMB m:44607b 6.00 (# 44607.1 Double Ambig [HG 98 HG 67] [QB 94 QG 63 HB 64] )
&rst
ixpk= 44607, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1544,1034,
igr2=1470,1471, 977, 978, 989,
&end
#
# 109 LEU MD1 0 AMB m:44622 5.60 (# 44622.1 Single Ambig [HA 35 HA 112] )
&rst
ixpk= 44622, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1709,1710,1711,
igr2= 549,1747,
&end
#
# 109 LEU MD1 0 AMB m:44626 4.60 (# 44626.1 Single Ambig [QB 112 MB 134 MB 49] )
&rst
ixpk= 44626, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1=1709,1710,1711,
igr2=1749,1750,2086,2087,2088, 760, 761, 762,
&end
#
# 109 LEU MD1 0 AMB m:44636 5.80 (# 44636.1 Single Ambig [MB 49 QB 124 MG2 31] )
&rst
ixpk= 44636, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
igr1=1709,1710,1711,
igr2= 760, 761, 762,1931,1932, 488, 489, 490,
&end
#
# 98 LEU MD2 107 HIS HE1 5.10 (# 44644.1 Unique )
&rst
ixpk= 44644, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1550,1551,1552,
&end
#
# 98 LEU MD2 95 ALA HA 5.00 (# 44647.1 Unique )
&rst
ixpk= 44647, nxpk= 0, iat= -1,1483, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1550,1551,1552,
&end
#
# 0 AMB m:44650 139 LEU HA 6.00 (# 44650.1 Single Ambig [MD1 110 MD2 98] )
&rst
ixpk= 44650, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1728,1729,1730,1550,1551,1552,
&end
#
# 106 GLU HA 0 AMB m:44654 6.00 (# 44654.1 Single Ambig [QB 142 MB 10 QB 38] )
&rst
ixpk= 44654, nxpk= 0, iat=1651, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2=2225,2226, 166, 167, 168, 596, 597,
&end
#
# 0 AMB m:44659a 0 AMB m:44659b 6.00 (# 44659.1 Double Ambig [QB 106 QB 32] [MB 46 QB 109 MB 120 MG2 105 MG2 31] )
&rst
ixpk= 44659, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.74, r4=12.24,
igr1=1653,1654, 500, 501,
igr2= 718, 719, 720,1704,1705,1871,1872,1873,1641,1642,
1643, 488, 489, 490,
&end
#
# 106 GLU QB 0 AMB m:44666 6.00 (# 44666.1 Single Ambig [QB 109 HG 110 QB 137] )
&rst
ixpk= 44666, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1653,1654,
igr2=1704,1705,1726,2137,2138,
&end
#
# 106 GLU QB 107 HIS HA 6.00 (# 44671.1 Unique )
&rst
ixpk= 44671, nxpk= 0, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1653,1654,
&end
#
# 0 AMB m:44681a 0 AMB m:44681b 3.10 (# 44681.1 Double Ambig [QB 48 QG 106] [QB 48 QB 106] )
#This appears to be self-referential: ignoring
#
# 48 LYS QB 0 AMB m:44685 4.30 (# 44685.1 Single Ambig [QB 48 MB 47] )
#This appears to be self-referential: ignoring
#
# 106 GLU QG 0 AMB m:44689 6.00 (# 44689.1 Single Ambig [QA 104 HA 103] )
&rst
ixpk= 44689, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1656,1657,
igr2=1630,1631,1614,
&end
#
# 113 ILE HA 0 AMB m:44693 6.00 (# 44693.1 Single Ambig [MB 120 QB 124] )
&rst
ixpk= 44693, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=1871,1872,1873,1931,1932,
&end
#
# 113 ILE HA 0 AMB m:44697 6.00 (# 44697.1 Single Ambig [MB 134 QB 112] )
&rst
ixpk= 44697, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=2086,2087,2088,1749,1750,
&end
#
# 113 ILE HA 0 AMB m:44701 6.00 (# 44701.1 Single Ambig [MD2 131 MD1 131] )
&rst
ixpk= 44701, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=2040,2041,2042,2036,2037,2038,
&end
#
# 113 ILE HA 0 AMB m:44708 6.00 (# 44708.1 Single Ambig [HG 131 QB 131 QB 114] )
&rst
ixpk= 44708, nxpk= 0, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2=2034,2031,2032,1787,1788,
&end
#
# 113 ILE HA 121 ALA HA 3.70 (# 44713.1 Unique )
&rst
ixpk= 44713, nxpk= 0, iat=1766,1879, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 113 ILE HB 0 AMB m:44720 6.00 (# 44720.1 Single Ambig [MD2 110 MG1 129 MD2 109] )
&rst
ixpk= 44720, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2=1732,1733,1734,2006,2007,2008,1713,1714,1715,
&end
#
# 113 ILE HB 0 AMB m:44725 3.60 (# 44725.1 Single Ambig [QG1 113 MD1 109] )
&rst
ixpk= 44725, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1774,1775,1709,1710,1711,
&end
#
# 113 ILE HB 0 AMB m:44729 3.80 (# 44729.1 Single Ambig [MD2 131 MD1 131] )
&rst
ixpk= 44729, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2040,2041,2042,2036,2037,2038,
&end
#
# 113 ILE HB 0 AMB m:44733 4.00 (# 44733.1 Single Ambig [HA 131 HA 114 HA 110] )
&rst
ixpk= 44733, nxpk= 0, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2029,1785,1721,
&end
#
# 0 AMB m:44738a 0 AMB m:44738b 5.00 (# 44738.1 Double Ambig [QB 133 QB 9 QB 48] [HA 129 HA 10 QB 130 HA 47] )
&rst
ixpk= 44738, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=2064,2065, 142, 143, 738, 739,
igr2=2002, 164,2020,2021, 726,
&end
#
# 113 ILE QG1 0 AMB m:44744 4.50 (# 44744.1 Single Ambig [HA 110 HA 131] )
&rst
ixpk= 44744, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1774,1775,
igr2=1721,2029,
&end
#
# 113 ILE MG2 0 AMB m:44748 6.00 (# 44748.1 Single Ambig [HN 124 HN 115] )
&rst
ixpk= 44748, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1770,1771,1772,
igr2=1927,1807,
&end
#
# 113 ILE MG2 130 SER HN 6.00 (# 44752.1 Unique )
&rst
ixpk= 44752, nxpk= 0, iat= -1,2016, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1770,1771,1772,
&end
#
# 113 ILE MG2 0 AMB m:44758 5.40 (# 44758.1 Single Ambig [QB 124 MB 120] )
&rst
ixpk= 44758, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.48, r4= 8.98,
igr1=1770,1771,1772,
igr2=1931,1932,1871,1872,1873,
&end
#
# 113 ILE MG2 0 AMB m:44762 6.00 (# 44762.1 Single Ambig [HG 109 QB 109] )
&rst
ixpk= 44762, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1770,1771,1772,
igr2=1707,1704,1705,
&end
#
# 113 ILE MG2 0 AMB m:44766 6.00 (# 44766.1 Single Ambig [QB 112 QG 94] )
&rst
ixpk= 44766, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1770,1771,1772,
igr2=1749,1750,1473,1474,
&end
#
# 113 ILE MD 0 AMB m:44774 6.00 (# 44774.1 Single Ambig [QB 110 MB 121] )
&rst
ixpk= 44774, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1=1777,1778,1779,
igr2=1723,1724,1881,1882,1883,
&end
#
# 131 LEU QB 0 AMB m:44791 6.00 (# 44791.1 Single Ambig [QG1 113 MG1 129 MD2 110] )
&rst
ixpk= 44791, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=2031,2032,
igr2=1774,1775,2006,2007,2008,1732,1733,1734,
&end
#
# 131 LEU QB 0 AMB m:44796 4.70 (# 44796.1 Single Ambig [MD1 131 MG2 113] )
&rst
ixpk= 44796, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1=2031,2032,
igr2=2036,2037,2038,1770,1771,1772,
&end
#
# 0 AMB m:44806a 0 AMB m:44806b 6.00 (# 44806.1 Double Ambig [MD1 131 MD1 110] [HA 113 QA 111] )
&rst
ixpk= 44806, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=2036,2037,2038,1728,1729,1730,
igr2=1766,1740,1741,
&end
#
# 64 VAL MG2 0 AMB m:44818 4.10 (# 44818.1 Single Ambig [HG 35 QB 35 QG1 68] )
&rst
ixpk= 44818, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 995, 996, 997,
igr2= 554, 551, 552,1056,1057,
&end
#
# 0 AMB m:44826a 0 AMB m:44826b 6.00 (# 44826.1 Double Ambig [QB 139 QB 110] [HN 141 HN 109] )
&rst
ixpk= 44826, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=2170,2171,1723,1724,
igr2=2202,1700,
&end
#
# 0 AMB m:44830a 0 AMB m:44830b 6.00 (# 44830.1 Double Ambig [QB 110 QB 139] [HN 109 HN 141] )
&rst
ixpk= 44830, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1723,1724,2170,2171,
igr2=1700,2202,
&end
#
# 139 LEU QB 0 AMB m:44834 6.00 (# 44834.1 Single Ambig [HN 136 HN 142 HN 137] )
&rst
ixpk= 44834, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2170,2171,
igr2=2116,2221,2133,
&end
#
# 0 AMB m:44842a 0 AMB m:44842b 5.80 (# 44842.1 Double Ambig [QB 110 QB 139] [QB 94 HB 138] )
&rst
ixpk= 44842, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr1=1723,1724,2170,2171,
igr2=1470,1471,2154,
&end
#
# 139 LEU HA 0 AMB m:44846 2.90 (# 44846.1 Single Ambig [QB 139 HG 142 QB 142 HG 139] )
&rst
ixpk= 44846, nxpk= 0, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=2170,2171,2228,2225,2226,2173,
&end
#
# 139 LEU HA 0 AMB m:44852 6.00 (# 44852.1 Single Ambig [MD1 98 MG1 138 MG2 45] )
&rst
ixpk= 44852, nxpk= 0, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2=1546,1547,1548,2156,2157,2158, 701, 702, 703,
&end
#
# 141 LEU MD2 0 AMB m:44857 6.00 (# 44857.1 Single Ambig [HN 52 HN 138] )
&rst
ixpk= 44857, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2215,2216,2217,
igr2= 802,2150,
&end
#
# 141 LEU MD2 137 GLN QE2 4.00 (# 44871.1 Unique )
&rst
ixpk= 44871, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2215,2216,2217,
igr2=2145,2146,
&end
#
# 141 LEU MD2 138 VAL HA 4.30 (# 44881.1 Unique )
&rst
ixpk= 44881, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=2215,2216,2217,
&end
#
# 141 LEU MD2 45 ILE HA 4.70 (# 44884.1 Unique )
&rst
ixpk= 44884, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=2215,2216,2217,
&end
#
# 141 LEU MD2 141 LEU HA 5.20 (# 44887.1 Unique )
&rst
ixpk= 44887, nxpk= 0, iat= -1,2204, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=2215,2216,2217,
&end
#
# 141 LEU MD2 0 AMB m:44893 2.50 (# 44893.1 Single Ambig [HG 141 QB 48] )
&rst
ixpk= 44893, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=2215,2216,2217,
igr2=2209, 738, 739,
&end
#
# 139 LEU MD2 140 GLN HN 6.00 (# 44897.1 Unique )
&rst
ixpk= 44897, nxpk= 0, iat= -1,2185, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2179,2180,2181,
&end
#
# 139 LEU MD2 142 LEU HN 5.80 (# 44900.1 Unique )
&rst
ixpk= 44900, nxpk= 0, iat= -1,2221, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=2179,2180,2181,
&end
#
# 139 LEU MD2 0 AMB m:44903 6.00 (# 44903.1 Single Ambig [HE1 100 HN 110] )
&rst
ixpk= 44903, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2179,2180,2181,
igr2=1572,1719,
&end
#
# 139 LEU MD2 107 HIS HA 6.00 (# 44911.1 Unique )
&rst
ixpk= 44911, nxpk= 0, iat= -1,1666, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2179,2180,2181,
&end
#
# 115 GLU HA 0 AMB m:44921 3.90 (# 44921.1 Single Ambig [QG 115 QG 117] )
&rst
ixpk= 44921, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1814,1815,1836,1837,
&end
#
# 0 AMB m:44925a 0 AMB m:44925b 6.00 (# 44925.1 Double Ambig [QB 115 QB 41] [QB 83 HG 38 HG 14] )
&rst
ixpk= 44925, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1811,1812, 655, 656,
igr2=1283,1284, 599, 234,
&end
#
# 0 AMB m:44930a 0 AMB m:44930b 5.60 (# 44930.1 Double Ambig [QB 115 QB 41] [HA 112 QA 116 HA 38] )
&rst
ixpk= 44930, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
igr1=1811,1812, 655, 656,
igr2=1747,1824,1825, 594,
&end
#
# 0 AMB m:44935a 0 AMB m:44935b 4.70 (# 44935.1 Double Ambig [QG 41 QG 115] [HN 12 HN 115 HN 87] )
&rst
ixpk= 44935, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 658, 659,1814,1815,
igr2= 189,1807,1357,
&end
#
# 41 GLU QG 0 AMB m:44940 6.00 (# 44940.1 Single Ambig [HA 38 HA 8 HA 16 HA 40 HA 14] )
&rst
ixpk= 44940, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 658, 659,
igr2= 594, 125, 258, 629, 229,
&end
#
# 115 GLU QG 87 VAL MG2 3.80 (# 44947.1 Unique )
&rst
ixpk= 44947, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1814,1815,
igr2=1367,1368,1369,
&end
#
# 0 AMB m:44950a 0 AMB m:44950b 6.00 (# 44950.1 Double Ambig [HA 114 HA 110] [QB 114 HA 87] )
&rst
ixpk= 44950, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1785,1721,
igr2=1787,1788,1359,
&end
#
# 114 ARG HA 114 ARG QB 6.00 (# 44955.1 Unique )
&rst
ixpk= 44955, nxpk= 0, iat=1785, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1787,1788,
&end
#
# 114 ARG HA 0 AMB m:44962 4.60 (# 44962.1 Single Ambig [MD1 131 MG2 113] )
&rst
ixpk= 44962, nxpk= 0, iat=1785, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=2036,2037,2038,1770,1771,1772,
&end
#
# 114 ARG QB 114 ARG HE 5.60 (# 44966.1 Unique )
&rst
ixpk= 44966, nxpk= 0, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1787,1788,
&end
#
# 114 ARG QB 114 ARG QB 6.00 (# 44969.1 Unique )
#This appears to be self-referential: ignoring
#
# 114 ARG QB 131 LEU MD2 6.00 (# 44972.1 Unique )
&rst
ixpk= 44972, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1787,1788,
igr2=2040,2041,2042,
&end
#
# 114 ARG QB 90 LEU MD1 5.40 (# 44975.1 Unique )
&rst
ixpk= 44975, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1787,1788,
igr2=1416,1417,1418,
&end
#
# 0 AMB m:44989a 0 AMB m:44989b 6.00 (# 44989.1 Double Ambig [HA 112 HA 40] [MD2 112 MG1 87 MD1 109 MD1 16] )
&rst
ixpk= 44989, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1747, 629,
igr2=1758,1759,1760,1363,1364,1365,1709,1710,1711, 265,
266, 267,
&end
#
# 0 AMB m:44995a 0 AMB m:44995b 6.00 (# 44995.1 Double Ambig [HA 112 HA 40] [MB 121 MB 47] )
&rst
ixpk= 44995, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1747, 629,
igr2=1881,1882,1883, 728, 729, 730,
&end
#
# 112 LEU QB 0 AMB m:44999 3.90 (# 44999.1 Single Ambig [MD1 112 MD1 109 MG1 87 MD2 35 MD1 38] )
&rst
ixpk= 44999, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=1749,1750,
igr2=1754,1755,1756,1709,1710,1711,1363,1364,1365, 560,
561, 562, 601, 602, 603,
&end
#
# 112 LEU HG 0 AMB m:45009 6.00 (# 45009.1 Single Ambig [MD 113 MD1 124 MD2 124] )
&rst
ixpk= 45009, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2=1777,1778,1779,1936,1937,1938,1940,1941,1942,
&end
#
# 112 LEU HG 0 AMB m:45014 3.10 (# 45014.1 Single Ambig [MD1 112 MG1 87 MD1 109 MD1 38 MG2 34] )
&rst
ixpk= 45014, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1754,1755,1756,1363,1364,1365,1709,1710,1711, 601,
602, 603, 534, 535, 536,
&end
#
# 112 LEU HG 0 AMB m:45021 6.00 (# 45021.1 Single Ambig [MB 120 MG2 31] )
&rst
ixpk= 45021, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1871,1872,1873, 488, 489, 490,
&end
#
# 112 LEU MD1 109 LEU HN 6.00 (# 45028.1 Unique )
&rst
ixpk= 45028, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1754,1755,1756,
&end
#
# 112 LEU MD1 0 AMB m:45031 4.50 (# 45031.1 Single Ambig [MD 113 MD2 124 MD1 50 MD1 124] )
&rst
ixpk= 45031, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1754,1755,1756,
igr2=1777,1778,1779,1940,1941,1942, 775, 776, 777,1936,
1937,1938,
&end
#
# 112 LEU MD1 38 LEU QB 6.00 (# 45037.1 Unique )
&rst
ixpk= 45037, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1754,1755,1756,
igr2= 596, 597,
&end
#
# 112 LEU MD1 0 AMB m:45040 4.00 (# 45040.1 Single Ambig [QB 35 QB 38] )
&rst
ixpk= 45040, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1754,1755,1756,
igr2= 551, 552, 596, 597,
&end
#
# 112 LEU MD2 87 VAL HB 5.00 (# 45049.1 Unique )
&rst
ixpk= 45049, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1758,1759,1760,
&end
#
# 0 AMB m:45052a 0 AMB m:45052b 6.00 (# 45052.1 Double Ambig [MD2 112 MD1 22] [QB 115 QB 18 QG 73] )
&rst
ixpk= 45052, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1758,1759,1760, 351, 352, 353,
igr2=1811,1812, 289, 290,1127,1128,
&end
#
# 0 AMB m:45057a 0 AMB m:45057b 4.40 (# 45057.1 Double Ambig [HA 110 HA 50] [HG 110 QB 109 QB 137 QB 51] )
&rst
ixpk= 45057, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1=1721, 768,
igr2=1726,1704,1705,2137,2138, 789, 790,
&end
#
# 0 AMB m:45063a 0 AMB m:45063b 5.40 (# 45063.1 Double Ambig [HA 50 HA 110] [MB 49 MB 134 QB 112] )
&rst
ixpk= 45063, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.57, r4= 9.07,
igr1= 768,1721,
igr2= 760, 761, 762,2086,2087,2088,1749,1750,
&end
#
# 0 AMB m:45069a 0 AMB m:45069b 3.90 (# 45069.1 Double Ambig [QB 50 QB 110] [MD2 50 MD2 110 MD 60 MD2 109] )
&rst
ixpk= 45069, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1= 770, 771,1723,1724,
igr2= 779, 780, 781,1732,1733,1734, 925, 926, 927,1713,
1714,1715,
&end
#
# 110 LEU MD2 0 AMB m:45079 3.40 (# 45079.1 Single Ambig [HB 138 QB 94] )
&rst
ixpk= 45079, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1732,1733,1734,
igr2=2154,1470,1471,
&end
#
# 109 LEU QB 0 AMB m:45087 3.30 (# 45087.1 Single Ambig [MD2 109 MD1 109 MD1 112 MD1 38] )
&rst
ixpk= 45087, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1704,1705,
igr2=1713,1714,1715,1709,1710,1711,1754,1755,1756, 601,
602, 603,
&end
#
# 96 ARG QB 96 ARG QB 4.10 (# 45100.1 Unique )
#This appears to be self-referential: ignoring
#
# 70 ARG QB 70 ARG HE 5.10 (# 45104.1 Unique )
&rst
ixpk= 45104, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1076,1077,
&end
#
# 9 ARG QB 0 AMB m:45110 6.00 (# 45110.1 Single Ambig [QA 44 HA 10] )
&rst
ixpk= 45110, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 142, 143,
igr2= 690, 691, 164,
&end
#
# 34 ILE HA 0 AMB m:45114 6.00 (# 45114.1 Single Ambig [QG 32 MG1 13 QB 16 QB 112] )
&rst
ixpk= 45114, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 503, 504, 217, 218, 219, 260, 261,1749,1750,
&end
#
# 34 ILE HA 0 AMB m:45120 6.00 (# 45120.1 Single Ambig [HB 29 QB 35 MB 120 MG2 31] )
&rst
ixpk= 45120, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 460, 551, 552,1871,1872,1873, 488, 489, 490,
&end
#
# 34 ILE HA 0 AMB m:45126 6.00 (# 45126.1 Single Ambig [MB 84 QB 36 MB 10] )
&rst
ixpk= 45126, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr2=1307,1308,1309, 570, 571, 166, 167, 168,
&end
#
# 34 ILE HA 0 AMB m:45131 6.00 (# 45131.1 Single Ambig [HG 38 HG 14 QB 14 HG 112] )
&rst
ixpk= 45131, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr2= 599, 234, 231, 232,1752,
&end
#
# 34 ILE HA 0 AMB m:45137 3.00 (# 45137.1 Single Ambig [MG2 34 QG1 34 MD 34 MD2 14 MG2 29] )
&rst
ixpk= 45137, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 534, 535, 536, 538, 539, 541, 542, 543, 240, 241,
242, 462, 463, 464,
&end
#
# 34 ILE QG1 33 HIS QB 5.80 (# 45144.1 Unique )
&rst
ixpk= 45144, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 538, 539,
igr2= 515, 516,
&end
#
# 34 ILE MG2 37 GLY HN 6.00 (# 45147.1 Unique )
&rst
ixpk= 45147, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 534, 535, 536,
&end
#
# 34 ILE MG2 0 AMB m:45154 6.00 (# 45154.1 Single Ambig [HA 109 QB 33 HA 84 HA 10] )
&rst
ixpk= 45154, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 534, 535, 536,
igr2=1702, 515, 516,1305, 164,
&end
#
# 34 ILE MG2 0 AMB m:45160 5.20 (# 45160.1 Single Ambig [HA 35 HA 112 QA 30] )
&rst
ixpk= 45160, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 534, 535, 536,
igr2= 549,1747, 477, 478,
&end
#
# 34 ILE MG2 0 AMB m:45165 5.60 (# 45165.1 Single Ambig [HA 14 HA 38 QB 91] )
&rst
ixpk= 45165, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1= 534, 535, 536,
igr2= 229, 594,1430,1431,
&end
#
# 34 ILE MG2 0 AMB m:45170 6.00 (# 45170.1 Single Ambig [HB 31 HB 105] )
&rst
ixpk= 45170, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 534, 535, 536,
igr2= 486,1639,
&end
#
# 34 ILE MG2 0 AMB m:45174 6.00 (# 45174.1 Single Ambig [HB 13 HB 87] )
&rst
ixpk= 45174, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 534, 535, 536,
igr2= 215,1361,
&end
#
# 34 ILE MG2 0 AMB m:45178 6.00 (# 45178.1 Single Ambig [QB 112 HB 88 QB 20 QG 41] )
&rst
ixpk= 45178, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
igr1= 534, 535, 536,
igr2=1749,1750,1377, 321, 322, 658, 659,
&end
#
# 34 ILE MG2 0 AMB m:45184 6.00 (# 45184.1 Single Ambig [MB 84 QB 38 QB 14] )
&rst
ixpk= 45184, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
igr1= 534, 535, 536,
igr2=1307,1308,1309, 596, 597, 231, 232,
&end
#
# 34 ILE MG2 0 AMB m:45189 6.00 (# 45189.1 Single Ambig [QB 35 MB 120 MG2 31 MB 46 HB 29 QB 109] )
&rst
ixpk= 45189, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
igr1= 534, 535, 536,
igr2= 551, 552,1871,1872,1873, 488, 489, 490, 718, 719,
720, 460,1704,1705,
&end
#
# 34 ILE MG2 0 AMB m:45197 6.00 (# 45197.1 Single Ambig [QB 112 MG1 13 MG2 87 QG1 88] )
&rst
ixpk= 45197, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 534, 535, 536,
igr2=1749,1750, 217, 218, 219,1367,1368,1369,1383,1384,
&end
#
# 34 ILE MD 0 AMB m:45203 6.00 (# 45203.1 Single Ambig [HN 31 HN 85] )
&rst
ixpk= 45203, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 541, 542, 543,
igr2= 482,1313,
&end
#
# 34 ILE MD 0 AMB m:45207 4.30 (# 45207.1 Single Ambig [HA 84 QB 33] )
&rst
ixpk= 45207, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 541, 542, 543,
igr2=1305, 515, 516,
&end
#
# 34 ILE MD 0 AMB m:45211 6.00 (# 45211.1 Single Ambig [HA 31 HA 34] )
&rst
ixpk= 45211, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 541, 542, 543,
igr2= 484, 530,
&end
#
# 34 ILE MD 0 AMB m:45215 6.00 (# 45215.1 Single Ambig [HA 87 QB 83] )
&rst
ixpk= 45215, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 541, 542, 543,
igr2=1359,1283,1284,
&end
#
# 34 ILE MD 0 AMB m:45222 6.00 (# 45222.1 Single Ambig [HA 112 HA 14 QA 116 HA 17] )
&rst
ixpk= 45222, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
igr1= 541, 542, 543,
igr2=1747, 229,1824,1825, 277,
&end
#
# 34 ILE MD 84 ALA MB 6.00 (# 45235.1 Unique )
&rst
ixpk= 45235, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 541, 542, 543,
igr2=1307,1308,1309,
&end
#
# 34 ILE MD 0 AMB m:45238 4.50 (# 45238.1 Single Ambig [QG1 88 MG2 87] )
&rst
ixpk= 45238, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 541, 542, 543,
igr2=1383,1384,1367,1368,1369,
&end
#
# 0 AMB m:45242a 0 AMB m:45242b 6.00 (# 45242.1 Double Ambig [QB 35 QB 109] [MG2 64 MD1 110 MG2 123 MD2 139] )
&rst
ixpk= 45242, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1= 551, 552,1704,1705,
igr2= 995, 996, 997,1728,1729,1730,1921,1922,1923,2179,
2180,2181,
&end
#
# 35 LEU QB 0 AMB m:45248 3.80 (# 45248.1 Single Ambig [MD2 35 MD1 112 MD1 109 MG2 60] )
&rst
ixpk= 45248, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 551, 552,
igr2= 560, 561, 562,1754,1755,1756,1709,1710,1711, 918,
919, 920,
&end
#
# 26 HIS QB 0 AMB m:45260 3.90 (# 45260.1 Single Ambig [HN 28 HE1 26] )
&rst
ixpk= 45260, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 415, 416,
igr2= 442, 420,
&end
#
# 0 AMB m:45264a 0 AMB m:45264b 6.00 (# 45264.1 Double Ambig [QG 94 QG 20] [HD2 107 HD2 33] )
&rst
ixpk= 45264, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1473,1474, 324, 325,
igr2=1677, 524,
&end
#
# 0 AMB m:45268a 0 AMB m:45268b 6.00 (# 45268.1 Double Ambig [HA 20 HA 86] [MD2 36 MD2 90 MD1 36 MD1 24 MG1 87] )
&rst
ixpk= 45268, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1= 319,1337,
igr2= 579, 580, 581,1420,1421,1422, 575, 576, 577, 394,
395, 396,1363,1364,1365,
&end
#
# 20 GLU HA 0 AMB m:45275 6.00 (# 45275.1 Single Ambig [HN 19 HN 25] )
&rst
ixpk= 45275, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 302, 404,
&end
#
# 20 GLU QB 0 AMB m:45279 4.90 (# 45279.1 Single Ambig [MD2 36 MD1 36] )
&rst
ixpk= 45279, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 321, 322,
igr2= 579, 580, 581, 575, 576, 577,
&end
#
# 20 GLU QB 36 LEU MD2 3.60 (# 45283.1 Unique )
&rst
ixpk= 45283, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 321, 322,
igr2= 579, 580, 581,
&end
#
# 20 GLU QB 20 GLU QG 3.80 (# 45286.1 Unique )
&rst
ixpk= 45286, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 321, 322,
igr2= 324, 325,
&end
#
# 27 ASN HA 0 AMB m:45292 5.20 (# 45292.1 Single Ambig [MD2 22 MB 21] )
&rst
ixpk= 45292, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2= 355, 356, 357, 336, 337, 338,
&end
#
# 85 LYS HA 88 ILE QG1 4.50 (# 45299.1 Unique )
&rst
ixpk= 45299, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1383,1384,
&end
#
# 91 SER HA 0 AMB m:45308 6.00 (# 45308.1 Single Ambig [HN 109 HN 88] )
&rst
ixpk= 45308, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1700,1373,
&end
#
# 91 SER HA 0 AMB m:45312 6.00 (# 45312.1 Single Ambig [MD1 110 QG1 108 MD2 139] )
&rst
ixpk= 45312, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr2=1728,1729,1730,1691,1692,2179,2180,2181,
&end
#
# 91 SER QB 107 HIS QB 5.40 (# 45317.1 Unique )
&rst
ixpk= 45317, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1430,1431,
igr2=1668,1669,
&end
#
# 91 SER QB 0 AMB m:45320 6.00 (# 45320.1 Single Ambig [MG1 87 MD 108 MB 95 MD1 38 MD1 90] )
&rst
ixpk= 45320, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1=1430,1431,
igr2=1363,1364,1365,1694,1695,1696,1485,1486,1487, 601,
602, 603,1416,1417,1418,
&end
#
# 91 SER QB 103 VAL MG1 3.80 (# 45327.1 Unique )
&rst
ixpk= 45327, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1430,1431,
igr2=1618,1619,1620,
&end
#
# 91 SER QB 0 AMB m:45330 6.00 (# 45330.1 Single Ambig [QG1 108 QB 110] )
&rst
ixpk= 45330, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1430,1431,
igr2=1691,1692,1723,1724,
&end
#
# 91 SER QB 0 AMB m:45334 6.00 (# 45334.1 Single Ambig [QB 92 QB 94] )
&rst
ixpk= 45334, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1430,1431,
igr2=1441,1442,1470,1471,
&end
#
# 0 AMB m:45342a 0 AMB m:45342b 2.50 (# 45342.1 Double Ambig [HA 48 HA 136] [QB 48 QB 139 HG 139] )
&rst
ixpk= 45342, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1= 736,2118,
igr2= 738, 739,2170,2171,2173,
&end
#
# 136 GLN QB 0 AMB m:45347 6.00 (# 45347.1 Single Ambig [MD1 139 MD2 139 MD2 53 MG2 138 MD1 110] )
&rst
ixpk= 45347, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
igr1=2120,2121,
igr2=2175,2176,2177,2179,2180,2181, 825, 826, 827,2160,
2161,2162,1728,1729,1730,
&end
#
# 136 GLN QB 0 AMB m:45354 6.00 (# 45354.1 Single Ambig [MD1 139 MD2 139 MG2 138] )
&rst
ixpk= 45354, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=2120,2121,
igr2=2175,2176,2177,2179,2180,2181,2160,2161,2162,
&end
#
# 136 GLN QB 135 ARG QB 6.00 (# 45365.1 Unique; orig = 4.80 )
&rst
ixpk= 45365, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2120,2121,
igr2=2096,2097,
&end
#
# 136 GLN QB 0 AMB m:45368 5.00 (# 45368.1 Single Ambig [QB 139 QB 135 HG 139] )
&rst
ixpk= 45368, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=2120,2121,
igr2=2170,2171,2096,2097,2173,
&end
#
# 139 LEU HA 142 LEU QB 5.60 (# 45373.1 Unique )
&rst
ixpk= 45373, nxpk= 0, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=2225,2226,
&end
#
# 74 MET ME 72 GLN HA 4.70 (# 45380.1 Unique )
&rst
ixpk= 45380, nxpk= 0, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1146,1147,1148,
&end
#
# 74 MET ME 0 AMB m:45383 6.00 (# 45383.1 Single Ambig [QD2 27 QE2 72 QE2 76] )
&rst
ixpk= 45383, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1146,1147,1148,
igr2= 437, 438,1115,1116,1175,1176,
&end
#
# 8 GLU HA 0 AMB m:45391 6.00 (# 45391.1 Single Ambig [QB 12 QB 9] )
&rst
ixpk= 45391, nxpk= 0, iat= 125, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 193, 194, 142, 143,
&end
#
# 29 ILE QG1 78 ILE QG1 6.00 (# 45395.1 Unique )
&rst
ixpk= 45395, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 466, 467,
igr2=1204,1205,
&end
#
# 29 ILE QG1 33 HIS QB 5.00 (# 45398.1 Unique )
&rst
ixpk= 45398, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 466, 467,
igr2= 515, 516,
&end
#
# 55 LEU QB 0 AMB m:45404 4.10 (# 45404.1 Single Ambig [MD 60 MD2 50 MD1 50] )
&rst
ixpk= 45404, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 842, 843,
igr2= 925, 926, 927, 779, 780, 781, 775, 776, 777,
&end
#
# 65 GLU QG 0 AMB m:45409 5.80 (# 45409.1 Single Ambig [HG 24 QG1 68 QB 24] )
&rst
ixpk= 45409, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.51, r4= 9.01,
igr1=1008,1009,
igr2= 392,1056,1057, 389, 390,
&end
#
# 91 SER QB 0 AMB m:45414 4.50 (# 45414.1 Single Ambig [MG1 103 MG2 108] )
&rst
ixpk= 45414, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1430,1431,
igr2=1618,1619,1620,1687,1688,1689,
&end
#
# 124 LEU MD2 0 AMB m:45423 6.00 (# 45423.1 Single Ambig [MB 121 HG 55] )
&rst
ixpk= 45423, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1940,1941,1942,
igr2=1881,1882,1883, 845,
&end
#
# 124 LEU MD2 0 AMB m:45427 6.00 (# 45427.1 Single Ambig [QG1 60 HG 131] )
&rst
ixpk= 45427, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1940,1941,1942,
igr2= 922, 923,2034,
&end
#
# 124 LEU MD2 134 ALA MB 6.00 (# 45431.1 Unique )
&rst
ixpk= 45431, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1940,1941,1942,
igr2=2086,2087,2088,
&end
#
# 124 LEU MD2 0 AMB m:45434 6.00 (# 45434.1 Single Ambig [MG2 138 MD2 131 MD2 53] )
&rst
ixpk= 45434, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.39, r4=10.89,
igr1=1940,1941,1942,
igr2=2160,2161,2162,2040,2041,2042, 825, 826, 827,
&end
#
# 77 THR HB 0 AMB m:45444 6.00 (# 45444.1 Single Ambig [MD 78 MG2 78] )
&rst
ixpk= 45444, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1207,1208,1209,1200,1201,1202,
&end
#
# 65 GLU QG 0 AMB m:45448 4.70 (# 45448.1 Single Ambig [MD1 24 MD1 36] )
&rst
ixpk= 45448, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1=1008,1009,
igr2= 394, 395, 396, 575, 576, 577,
&end
#
# 65 GLU QG 0 AMB m:45452 4.00 (# 45452.1 Single Ambig [MD2 36 MD2 24] )
&rst
ixpk= 45452, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1008,1009,
igr2= 579, 580, 581, 398, 399, 400,
&end
#
# 65 GLU QG 0 AMB m:45456 6.00 (# 45456.1 Single Ambig [HG 24 QG1 68] )
&rst
ixpk= 45456, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1008,1009,
igr2= 392,1056,1057,
&end
#
# 24 LEU MD2 0 AMB m:45460 5.60 (# 45460.1 Single Ambig [HN 25 HE1 33] )
&rst
ixpk= 45460, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 398, 399, 400,
igr2= 404, 520,
&end
#
# 0 AMB m:45464a 0 AMB m:45464b 6.00 (# 45464.1 Double Ambig [QG 20 QG 19] [HN 21 HN 36 HN 22] )
&rst
ixpk= 45464, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 324, 325, 309, 310,
igr2= 332, 566, 342,
&end
#
# 142 LEU MD1 0 AMB m:45476 6.00 (# 45476.1 Single Ambig [HN 144 HN 145] )
&rst
ixpk= 45476, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2230,2231,2232,
igr2=2247,2258,
&end
#
# 142 LEU MD1 107 HIS HE1 4.70 (# 45480.1 Unique )
&rst
ixpk= 45480, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=2230,2231,2232,
&end
#
# 2 MET ME 89 GLU HA 6.00 (# 45490.1 Unique )
&rst
ixpk= 45490, nxpk= 0, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 32, 33, 34,
&end
#
# 2 MET ME 4 GLY QA 5.10 (# 45493.1 Unique )
&rst
ixpk= 45493, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 32, 33, 34,
igr2= 60, 61,
&end
#
# 6 PHE QB 0 AMB m:45496 6.00 (# 45496.1 Single Ambig [MD 108 MD2 14] )
&rst
ixpk= 45496, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 93, 94,
igr2=1694,1695,1696, 240, 241, 242,
&end
#
# 112 LEU HG 111 GLY HN 6.00 (# 45500.1 Unique )
&rst
ixpk= 45500, nxpk= 0, iat=1752,1738, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 103 VAL MG2 0 AMB m:45503 6.00 (# 45503.1 Single Ambig [QB 9 QB 5 QB 142] )
&rst
ixpk= 45503, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1622,1623,1624,
igr2= 142, 143, 69, 70,2225,2226,
&end
#
# 95 ALA HA 0 AMB m:45508 6.00 (# 45508.1 Single Ambig [HA 98 HA 107 HA 91] )
&rst
ixpk= 45508, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1539,1666,1428,
&end
#
# 106 GLU QG 0 AMB m:45513 5.80 (# 45513.1 Single Ambig [MG1 138 MG2 45 MB 95 MD 108] )
&rst
ixpk= 45513, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
igr1=1656,1657,
igr2=2156,2157,2158, 701, 702, 703,1485,1486,1487,1694,
1695,1696,
&end
#
# 106 GLU QG 0 AMB m:45519 4.60 (# 45519.1 Single Ambig [MD1 110 MD2 142 MG2 138 MD2 139 MD2 98] )
&rst
ixpk= 45519, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61,
igr1=1656,1657,
igr2=1728,1729,1730,2234,2235,2236,2160,2161,2162,2179,
2180,2181,1550,1551,1552,
&end
#
# 66 SER QB 0 AMB m:45533 6.00 (# 45533.1 Single Ambig [MG2 123 MG2 64 MD2 24 MG2 68] )
&rst
ixpk= 45533, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1020,1021,
igr2=1921,1922,1923, 995, 996, 997, 398, 399, 400,1052,
1053,1054,
&end
#
# 127 LEU MD1 0 AMB m:45539 6.00 (# 45539.1 Single Ambig [MG2 123 MG2 64] )
&rst
ixpk= 45539, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1983,1984,1985,
igr2=1921,1922,1923, 995, 996, 997,
&end
#
# 139 LEU MD1 0 AMB m:45550 6.00 (# 45550.1 Single Ambig [HN 145 HN 140] )
&rst
ixpk= 45550, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2175,2176,2177,
igr2=2258,2185,
&end
#
# 0 AMB m:45564a 0 AMB m:45564b 2.20 (# 45564.1 Double Ambig [QB 12 QB 86] [QB 12 QB 86 QG 41] )
#This appears to be self-referential: ignoring
#
# 109 LEU MD2 0 AMB m:45582 3.00 (# 45582.1 Single Ambig [QB 109 QB 137] )
&rst
ixpk= 45582, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1713,1714,1715,
igr2=1704,1705,2137,2138,
&end
#
# 142 LEU HA 0 AMB m:45586 3.10 (# 45586.1 Single Ambig [QB 142 HB 45] )
&rst
ixpk= 45586, nxpk= 0, iat=2223, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=2225,2226, 699,
&end
#
# 24 LEU MD2 21 ALA HA 6.00 (# 45590.1 Unique )
&rst
ixpk= 45590, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 398, 399, 400,
&end
#
# 44 GLY QA 0 AMB m:45593 6.00 (# 45593.1 Single Ambig [MD 45 MD2 38 MG2 45 MD 108] )
&rst
ixpk= 45593, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 690, 691,
igr2= 708, 709, 710, 605, 606, 607, 701, 702, 703,1694,
1695,1696,
&end
#
# 87 VAL MG1 0 AMB m:45603 6.00 (# 45603.1 Single Ambig [HN 113 HN 92 HN 110] )
&rst
ixpk= 45603, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1363,1364,1365,
igr2=1764,1437,1719,
&end
#
# 35 LEU MD2 0 AMB m:45608 6.00 (# 45608.1 Single Ambig [HN 123 HN 37] )
&rst
ixpk= 45608, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 560, 561, 562,
igr2=1911, 585,
&end
#
# 0 AMB m:45620a 0 AMB m:45620b 5.60 (# 45620.1 Double Ambig [HG 36 HG 16] [HN 36 HN 41] )
&rst
ixpk= 45620, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 573, 263,
igr2= 566, 651,
&end
#
# 35 LEU MD2 0 AMB m:45624 5.20 (# 45624.1 Single Ambig [HA 32 HA 124 HA 121] )
&rst
ixpk= 45624, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 560, 561, 562,
igr2= 498,1929,1879,
&end
#
# 35 LEU MD2 0 AMB m:45629 4.20 (# 45629.1 Single Ambig [HB 123 QB 63 HB 39] )
&rst
ixpk= 45629, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 560, 561, 562,
igr2=1915, 974, 975, 615,
&end
#
# 119 VAL HB 0 AMB m:45634 5.80 (# 45634.1 Single Ambig [MG2 68 MG2 123] )
&rst
ixpk= 45634, nxpk= 0, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr2=1052,1053,1054,1921,1922,1923,
&end
#
# 35 LEU MD2 0 AMB m:45638 6.00 (# 45638.1 Single Ambig [HN 121 HN 34] )
&rst
ixpk= 45638, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 560, 561, 562,
igr2=1877, 528,
&end
#
# 6 PHE HD 108 ILE QG1 3.80 (# 45661.1 Unique )
&rst
ixpk= 45661, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 97, 105,
igr2=1691,1692,
&end
#
# 26 HIS HD2 25 GLY QA 4.70 (# 45694.1 Unique )
&rst
ixpk= 45694, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 406, 407,
&end
#
# 80 TYR HE 78 ILE MG2 3.10 (# 45709.1 Unique )
&rst
ixpk= 45709, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1240,1245,
igr2=1200,1201,1202,
&end
#
# 33 HIS HD2 20 GLU QB 4.00 (# 45721.1 Unique )
&rst
ixpk= 45721, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 321, 322,
&end
#
# 0 AMB m:45728a 0 AMB m:45728b 4.00 (# 45728.1 Double Ambig [HD2 107 HD2 33] [QB 107 QB 33] )
&rst
ixpk= 45728, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1677, 524,
igr2=1668,1669, 515, 516,
&end
#
# 107 HIS HD2 0 AMB m:45733 4.60 (# 45733.1 Single Ambig [MD1 98 MD2 98] )
&rst
ixpk= 45733, nxpk= 0, iat=1677, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 80 TYR HD 80 TYR HE 2.20 (# 45743.1 Unique )
&rst
ixpk= 45743, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1=1238,1247,
igr2=1240,1245,
&end
#
# 102 TYR HD 102 TYR HE 2.50 (# 45746.1 Unique )
&rst
ixpk= 45746, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1=1599,1608,
igr2=1601,1606,
&end
#
# 3 PHE HD 3 PHE HE 2.50 (# 45749.1 Unique )
&rst
ixpk= 45749, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 46, 54,
igr2= 48, 52,
&end
#
# 33 HIS HE1 68 ILE MG2 4.50 (# 45755.1 Unique )
&rst
ixpk= 45755, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1052,1053,1054,
&end
#
# 80 TYR HD 78 ILE MG2 4.70 (# 45761.1 Unique )
&rst
ixpk= 45761, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1238,1247,
igr2=1200,1201,1202,
&end
#
# 107 HIS HD2 95 ALA MB 4.80 (# 45785.1 Unique )
&rst
ixpk= 45785, nxpk= 0, iat=1677, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1485,1486,1487,
&end
#
# 107 HIS HE1 0 AMB m:45794 3.80 (# 45794.1 Single Ambig [MD2 98 MD2 142 MD2 139] )
&rst
ixpk= 45794, nxpk= 0, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1550,1551,1552,2234,2235,2236,2179,2180,2181,
&end
#
# 80 TYR HE 0 AMB m:45802 6.00 (# 45802.1 Single Ambig [MD 34 MD2 14 MG2 29 QG1 34] )
&rst
ixpk= 45802, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.04, r4=10.54,
igr1=1240,1245,
igr2= 541, 542, 543, 240, 241, 242, 462, 463, 464, 538,
539,
&end
#
# 0 AMB m:45808a 0 AMB m:45808b 3.00 (# 45808.1 Double Ambig [HD2 107 HD2 33] [MD1 110 MD2 36] )
&rst
ixpk= 45808, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1677, 524,
igr2=1728,1729,1730, 579, 580, 581,
&end
#
# 79 HIS HD2 80 TYR HD 6.00 (# 45812.1 Unique )
&rst
ixpk= 45812, nxpk= 0, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1238,1247,
&end
#
# 6 PHE HD 11 GLN HA 5.30 (# 45837.1 Unique )
&rst
ixpk= 45837, nxpk= 0, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 97, 105,
&end
#
# 3 PHE HD 101 SER QB 5.00 (# 45895.1 Unique )
&rst
ixpk= 45895, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 46, 54,
igr2=1584,1585,
&end
#
# 80 TYR HE 14 LEU MD1 4.70 (# 45916.1 Unique )
&rst
ixpk= 45916, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1240,1245,
igr2= 236, 237, 238,
&end
#
# 80 TYR HE 29 ILE MD 3.60 (# 45919.1 Unique )
&rst
ixpk= 45919, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1240,1245,
igr2= 469, 470, 471,
&end
#
# 80 TYR HE 29 ILE HB 4.80 (# 45925.1 Unique )
&rst
ixpk= 45925, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1240,1245,
&end
#
# 33 HIS HD2 33 HIS QB 3.80 (# 45931.1 Unique )
&rst
ixpk= 45931, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 515, 516,
&end
#
# 33 HIS HD2 21 ALA HA 3.60 (# 45935.1 Unique )
&rst
ixpk= 45935, nxpk= 0, iat= 524, 334, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 33 HIS HD2 36 LEU MD2 3.80 (# 45938.1 Unique )
&rst
ixpk= 45938, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 579, 580, 581,
&end
#
# 107 HIS HD2 110 LEU MD1 2.80 (# 45950.1 Unique )
&rst
ixpk= 45950, nxpk= 0, iat=1677, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1728,1729,1730,
&end
#
# 26 HIS HD2 26 HIS HN 4.30 (# 45962.1 Unique )
&rst
ixpk= 45962, nxpk= 0, iat= 424, 411, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 26 HIS HD2 72 GLN HN 6.00 (# 45965.1 Unique; orig = 4.10 )
&rst
ixpk= 45965, nxpk= 0, iat= 424,1103, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 HIS HD2 26 HIS QB 4.90 (# 45971.1 Unique )
&rst
ixpk= 45971, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 415, 416,
&end
#
# 102 TYR HD 7 THR HA 6.00 (# 45978.1 Unique )
&rst
ixpk= 45978, nxpk= 0, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1599,1608,
&end
#
# 26 HIS HD2 24 LEU QB 5.00 (# 45984.1 Unique )
&rst
ixpk= 45984, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 389, 390,
&end
#
# 79 HIS HE1 79 HIS HD2 6.00 (# 45998.1 Unique )
&rst
ixpk= 45998, nxpk= 0, iat=1222,1226, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 HIS HE1 26 HIS QB 6.00 (# 46009.1 Unique )
&rst
ixpk= 46009, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 415, 416,
&end
#
# 26 HIS HE1 68 ILE MD 4.20 (# 46013.1 Unique )
&rst
ixpk= 46013, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1059,1060,1061,
&end
#
# 26 HIS HE1 68 ILE MG2 6.00 (# 46016.1 Unique )
&rst
ixpk= 46016, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1052,1053,1054,
&end
#
# 107 HIS HE1 95 ALA MB 6.00 (# 46019.1 Unique )
&rst
ixpk= 46019, nxpk= 0, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1485,1486,1487,
&end
#
# 33 HIS HE1 0 AMB m:46022 6.00 (# 46022.1 Single Ambig [MD2 36 MD1 36] )
&rst
ixpk= 46022, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 579, 580, 581, 575, 576, 577,
&end
#
# 33 HIS HD2 21 ALA HN 4.30 (# 46030.1 Unique )
&rst
ixpk= 46030, nxpk= 0, iat= 524, 332, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 107 HIS HD2 0 AMB m:46033 4.50 (# 46033.1 Single Ambig [HN 95 HE1 107] )
&rst
ixpk= 46033, nxpk= 0, iat=1677, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1481,1673,
&end
#
# 33 HIS HD2 33 HIS HN 5.10 (# 46037.1 Unique )
&rst
ixpk= 46037, nxpk= 0, iat= 524, 511, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 102 TYR HE 100 HIS HE1 5.00 (# 46040.1 Unique )
&rst
ixpk= 46040, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1601,1606,
&end
#
# 100 HIS HD2 100 HIS HN 6.00 (# 46043.1 Unique; orig = 4.80 )
&rst
ixpk= 46043, nxpk= 0, iat=1576,1563, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 80 TYR HD 80 TYR HN 3.60 (# 46046.1 Unique )
&rst
ixpk= 46046, nxpk= 0, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1238,1247,
&end
#
# 102 TYR HD 6 PHE HA 6.00 (# 46052.1 Unique )
&rst
ixpk= 46052, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1599,1608,
&end
#
# 102 TYR HE 7 THR HA 6.00 (# 46068.1 Unique )
&rst
ixpk= 46068, nxpk= 0, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1601,1606,
&end
#
# 33 HIS HD2 68 ILE MD 3.80 (# 46075.1 Unique )
&rst
ixpk= 46075, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1059,1060,1061,
&end
#
# 80 TYR HE 88 ILE MG2 6.00 (# 46078.1 Unique )
&rst
ixpk= 46078, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1240,1245,
igr2=1379,1380,1381,
&end
#
# 107 HIS HE1 0 AMB m:46093 3.80 (# 46093.1 Single Ambig [MD2 98 MD2 142 MD2 139 MD1 110] )
&rst
ixpk= 46093, nxpk= 0, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1550,1551,1552,2234,2235,2236,2179,2180,2181,1728,
1729,1730,
&end
#
# 0 AMB m:46099a 0 AMB m:46099b 6.00 (# 46099.1 Double Ambig [HE 114 HE 40] [HA 114 HA 41]; orig = 4.30 )
&rst
ixpk= 46099, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1796, 640,
igr2=1785, 653,
&end
#
# 0 AMB m:46103 96 ARG QB 3.60 (# 46103.1 Single Ambig [HE 96 HE 3] )
&rst
ixpk= 46103, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1504, 48, 52,
igr2=1495,1496,
&end
#
# 0 AMB m:46108a 0 AMB m:46108b 4.80 (# 46108.1 Double Ambig [HD 6 HE 3] [ME 92 QB 92] )
&rst
ixpk= 46108, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
igr1= 97, 105, 48, 52,
igr2=1448,1449,1450,1441,1442,
&end
#
# 80 TYR HD 0 AMB m:46112 4.10 (# 46112.1 Single Ambig [HB 29 MG2 81] )
&rst
ixpk= 46112, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1238,1247,
igr2= 460,1257,1258,1259,
&end
#
# 80 TYR HD 0 AMB m:46116 6.00 (# 46116.1 Single Ambig [MD 34 MG2 29 QG1 34 MD2 14 MG2 34] )
&rst
ixpk= 46116, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1=1238,1247,
igr2= 541, 542, 543, 462, 463, 464, 538, 539, 240, 241,
242, 534, 535, 536,
&end
#
# 0 AMB m:46123a 0 AMB m:46123b 4.10 (# 46123.1 Double Ambig [HD2 100 HD2 26] [QB 100 QB 26] )
&rst
ixpk= 46123, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1576, 424,
igr2=1567,1568, 415, 416,
&end
#
# 0 AMB m:46127a 0 AMB m:46127b 5.00 (# 46127.1 Double Ambig [HD2 26 HD2 100] [MD2 24 MD2 98] )
&rst
ixpk= 46127, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 424,1576,
igr2= 398, 399, 400,1550,1551,1552,
&end
#
# 102 TYR HE 0 AMB m:46131 4.70 (# 46131.1 Single Ambig [QA 104 HA 103] )
&rst
ixpk= 46131, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1601,1606,
igr2=1630,1631,1614,
&end
#
# 80 TYR HE 0 AMB m:46135 6.00 (# 46135.1 Single Ambig [MD 34 MD2 14 MG2 29 MG2 34] )
&rst
ixpk= 46135, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1240,1245,
igr2= 541, 542, 543, 240, 241, 242, 462, 463, 464, 534,
535, 536,
&end
#
# 80 TYR HE 0 AMB m:46141 6.00 (# 46141.1 Single Ambig [MG2 108 MG1 103] )
&rst
ixpk= 46141, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1240,1245,
igr2=1687,1688,1689,1618,1619,1620,
&end
#
# 33 HIS HD2 20 GLU QB 3.50 (# 46145.1 Unique )
&rst
ixpk= 46145, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 321, 322,
&end
#
# 0 AMB m:46148a 0 AMB m:46148b 4.00 (# 46148.1 Double Ambig [HD2 33 HD2 107] [MD2 36 MD1 98 MD1 24 MD1 36] )
&rst
ixpk= 46148, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 524,1677,
igr2= 579, 580, 581,1546,1547,1548, 394, 395, 396, 575,
576, 577,
&end
#
# 0 AMB m:46157a 0 AMB m:46157b 5.60 (# 46157.1 Double Ambig [HD2 26 HD2 100] [MD1 24 MD1 98 MD2 142] )
&rst
ixpk= 46157, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.07, r4= 9.57,
igr1= 424,1576,
igr2= 394, 395, 396,1546,1547,1548,2234,2235,2236,
&end
#
# 0 AMB m:46162a 0 AMB m:46162b 4.00 (# 46162.1 Double Ambig [HE 5 HD2 26] [QB 5 QB 70 QB 24] )
&rst
ixpk= 46162, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 78, 424,
igr2= 69, 70,1076,1077, 389, 390,
&end
#
# 3 PHE HD 103 VAL MG2 4.90 (# 46167.1 Unique )
&rst
ixpk= 46167, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 46, 54,
igr2=1622,1623,1624,
&end
#
# 26 HIS HD2 24 LEU QB 6.00 (# 46170.1 Unique )
&rst
ixpk= 46170, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 389, 390,
&end
#
# 0 AMB m:46173a 0 AMB m:46173b 6.00 (# 46173.1 Double Ambig [HD 3 HD2 26] [QB 2 QB 72 QB 70 QB 73] )
&rst
ixpk= 46173, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 46, 54, 424,
igr2= 25, 26,1107,1108,1076,1077,1124,1125,
&end
#
# 0 AMB m:46179a 0 AMB m:46179b 6.00 (# 46179.1 Double Ambig [HD 3 HD2 26] [ME 2 QB 2 QB 72 QB 70 QB 73] )
&rst
ixpk= 46179, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.75, r4=11.25,
igr1= 46, 54, 424,
igr2= 32, 33, 34, 25, 26,1107,1108,1076,1077,1124,
1125,
&end
#
# 0 AMB m:46186a 0 AMB m:46186b 5.80 (# 46186.1 Double Ambig [HD 3 HD2 26] [ME 92 QB 92 QB 73 HB 68] )
&rst
ixpk= 46186, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
igr1= 46, 54, 424,
igr2=1448,1449,1450,1441,1442,1124,1125,1050,
&end
#
# 0 AMB m:46192a 0 AMB m:46192b 5.80 (# 46192.1 Double Ambig [HE1 100 HE 114] [QG 106 HB 113 QB 131 QG1 113 QB 106] )
&rst
ixpk= 46192, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.39, r4= 9.89,
igr1=1572,1796,
igr2=1656,1657,1768,2031,2032,1774,1775,1653,1654,
&end
#
# 114 ARG HE 114 ARG QB 6.00 (# 46199.1 Unique )
&rst
ixpk= 46199, nxpk= 0, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1787,1788,
&end
#
# 100 HIS HE1 0 AMB m:46202 5.80 (# 46202.1 Single Ambig [MD1 142 MD2 142 MD2 98] )
&rst
ixpk= 46202, nxpk= 0, iat=1572, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr2=2230,2231,2232,2234,2235,2236,1550,1551,1552,
&end
#
# 26 HIS HE1 0 AMB m:46211 6.00 (# 46211.1 Single Ambig [QG 32 QB 32] )
&rst
ixpk= 46211, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 503, 504, 500, 501,
&end
#
# 26 HIS HE1 0 AMB m:46215 5.60 (# 46215.1 Single Ambig [QG1 68 QB 24] )
&rst
ixpk= 46215, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2=1056,1057, 389, 390,
&end
#
# 107 HIS HE1 0 AMB m:46222 5.20 (# 46222.1 Single Ambig [MD1 98 MD2 142] )
&rst
ixpk= 46222, nxpk= 0, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2=1546,1547,1548,2234,2235,2236,
&end
#
# 107 HIS HE1 0 AMB m:46226 5.60 (# 46226.1 Single Ambig [QG 106 QB 98] )
&rst
ixpk= 46226, nxpk= 0, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2=1656,1657,1541,1542,
&end
#
# 107 HIS HE1 98 LEU QB 5.80 (# 46230.1 Unique )
&rst
ixpk= 46230, nxpk= 0, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1541,1542,
&end
#
# 107 HIS HE1 0 AMB m:46233 6.00 (# 46233.1 Single Ambig [QB 142 HG 142 HB 45 HG 139 QB 139] )
&rst
ixpk= 46233, nxpk= 0, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2=2225,2226,2228, 699,2173,2170,2171,
&end
#
# 33 HIS HE1 0 AMB m:46240 6.00 (# 46240.1 Single Ambig [QG1 68 QB 24] )
&rst
ixpk= 46240, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1056,1057, 389, 390,
&end
#
# 33 HIS HE1 68 ILE HB 6.00 (# 46244.1 Unique )
&rst
ixpk= 46244, nxpk= 0, iat= 520,1050, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 80 TYR HD 0 AMB m:46247 6.00 (# 46247.1 Single Ambig [MG2 78 MG2 34] )
&rst
ixpk= 46247, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1238,1247,
igr2=1200,1201,1202, 534, 535, 536,
&end
#
# 0 AMB m:46251a 0 AMB m:46251b 6.00 (# 46251.1 Double Ambig [HD2 33 HD2 107] [QG 20 HG 110] )
&rst
ixpk= 46251, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 524,1677,
igr2= 324, 325,1726,
&end
#
# 44 GLY HN 44 GLY QA 3.60 (# 46255.1 Unique )
&rst
ixpk= 46255, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 690, 691,
&end
#
# 44 GLY HN 43 GLU QB 5.80 (# 46262.1 Unique )
&rst
ixpk= 46262, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 677, 678,
&end
#
# 44 GLY HN 43 GLU HA 4.30 (# 46266.1 Unique )
&rst
ixpk= 46266, nxpk= 0, iat= 688, 675, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 7 THR HG1 7 THR HB 3.00 (# 46269.1 Unique )
&rst
ixpk= 46269, nxpk= 0, iat= 119, 113, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 7 THR HG1 7 THR MG2 3.10 (# 46272.1 Unique )
&rst
ixpk= 46272, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 115, 116, 117,
&end
#
# 7 THR HG1 105 THR MG2 4.30 (# 46275.1 Unique )
&rst
ixpk= 46275, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1641,1642,1643,
&end
#
# 105 THR HG1 46 ALA MB 4.50 (# 46278.1 Unique )
&rst
ixpk= 46278, nxpk= 0, iat=1645, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 718, 719, 720,
&end
#
# 7 THR HG1 10 ALA MB 3.60 (# 46281.1 Unique )
&rst
ixpk= 46281, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 166, 167, 168,
&end
#
# 81 THR HG1 81 THR MG2 3.60 (# 46284.1 Unique )
&rst
ixpk= 46284, nxpk= 0, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1257,1258,1259,
&end
#
# 31 THR HG1 120 ALA MB 3.90 (# 46287.1 Unique )
&rst
ixpk= 46287, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1871,1872,1873,
&end
#
# 6 PHE HA 6 PHE QB 3.00 (# 46290.1 Unique )
&rst
ixpk= 46290, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 93, 94,
&end
#
# 6 PHE HA 0 AMB m:46294 5.10 (# 46294.1 Single Ambig [HA 7 HA 5] )
&rst
ixpk= 46294, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 111, 67,
&end
#
# 6 PHE HA 102 TYR HA 5.20 (# 46298.1 Unique )
&rst
ixpk= 46298, nxpk= 0, iat= 91,1593, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 6 PHE HA 0 AMB m:46301 4.90 (# 46301.1 Single Ambig [QA 104 HA 103] )
&rst
ixpk= 46301, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1630,1631,1614,
&end
#
# 81 THR HG1 81 THR HB 4.00 (# 46306.1 Unique )
&rst
ixpk= 46306, nxpk= 0, iat=1261,1255, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 81 THR HG1 81 THR HA 5.60 (# 46309.1 Unique )
&rst
ixpk= 46309, nxpk= 0, iat=1261,1253, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 7 THR HG1 7 THR HA 5.40 (# 46312.1 Unique )
&rst
ixpk= 46312, nxpk= 0, iat= 119, 111, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 6 PHE HA 103 VAL MG2 4.80 (# 46315.1 Unique )
&rst
ixpk= 46315, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1622,1623,1624,
&end
#
# 6 PHE HA 103 VAL MG1 4.70 (# 46318.1 Unique )
&rst
ixpk= 46318, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1618,1619,1620,
&end
#
# 6 PHE HA 7 THR MG2 4.30 (# 46321.1 Unique )
&rst
ixpk= 46321, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 115, 116, 117,
&end
#
# 6 PHE HA 10 ALA MB 4.10 (# 46324.1 Unique )
&rst
ixpk= 46324, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 166, 167, 168,
&end
#
# 6 PHE HA 103 VAL HB 2.60 (# 46327.1 Unique )
&rst
ixpk= 46327, nxpk= 0, iat= 91,1616, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 81 THR HG1 84 ALA MB 4.90 (# 46336.1 Unique )
&rst
ixpk= 46336, nxpk= 0, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1307,1308,1309,
&end
#
# 6 PHE HA 102 TYR QB 5.60 (# 46343.1 Unique )
&rst
ixpk= 46343, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1595,1596,
&end
#
# 0 AMB m:46347a 0 AMB m:46347b 4.30 (# 46347.1 Double Ambig [HG1 105 HG1 31] [HB 105 HB 31] )
&rst
ixpk= 46347, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1645, 492,
igr2=1639, 486,
&end
#
# 7 THR HG1 104 GLY QA 4.10 (# 46351.1 Unique )
&rst
ixpk= 46351, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1630,1631,
&end
#
# 145 ASN HN 145 ASN QB 3.90 (# 46364.1 Unique )
&rst
ixpk= 46364, nxpk= 0, iat=2258, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=2262,2263,
&end
#
# 145 ASN HN 144 SER QB 4.30 (# 46370.1 Unique )
&rst
ixpk= 46370, nxpk= 0, iat=2258, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=2251,2252,
&end
#
# 78 ILE HN 78 ILE MG2 3.80 (# 46401.1 Unique )
&rst
ixpk= 46401, nxpk= 0, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1200,1201,1202,
&end
#
# 78 ILE HN 78 ILE MD 4.30 (# 46404.1 Unique )
&rst
ixpk= 46404, nxpk= 0, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1207,1208,1209,
&end
#
# 52 ALA HN 51 GLN QB 5.60 (# 46413.1 Unique )
&rst
ixpk= 46413, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 789, 790,
&end
#
# 49 ALA HN 48 LYS QB 3.80 (# 46417.1 Unique )
&rst
ixpk= 46417, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 738, 739,
&end
#
# 52 ALA HN 51 GLN QB 3.10 (# 46427.1 Unique )
&rst
ixpk= 46427, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 789, 790,
&end
#
# 106 GLU HN 106 GLU QB 4.10 (# 46434.1 Unique )
&rst
ixpk= 46434, nxpk= 0, iat=1649, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1653,1654,
&end
#
# 84 ALA HN 84 ALA HA 3.10 (# 46451.1 Unique )
&rst
ixpk= 46451, nxpk= 0, iat=1303,1305, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 131 LEU HN 0 AMB m:46454 4.30 (# 46454.1 Single Ambig [MD1 131 MD2 131] )
&rst
ixpk= 46454, nxpk= 0, iat=2027, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2036,2037,2038,2040,2041,2042,
&end
#
# 84 ALA HN 0 AMB m:46458 5.20 (# 46458.1 Single Ambig [MG2 81 MG2 31] )
&rst
ixpk= 46458, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2=1257,1258,1259, 488, 489, 490,
&end
#
# 6 PHE HN 10 ALA MB 6.00 (# 46469.1 Unique )
&rst
ixpk= 46469, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
&end
#
# 32 GLU HN 32 GLU QG 3.10 (# 46495.1 Unique )
&rst
ixpk= 46495, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 503, 504,
&end
#
# 129 VAL HN 129 VAL HB 2.90 (# 46499.1 Unique )
&rst
ixpk= 46499, nxpk= 0, iat=2000,2004, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 32 GLU HN 32 GLU QB 3.80 (# 46518.1 Unique )
&rst
ixpk= 46518, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 500, 501,
&end
#
# 95 ALA HN 95 ALA HA 3.50 (# 46541.1 Unique )
&rst
ixpk= 46541, nxpk= 0, iat=1481,1483, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 115 GLU HN 87 VAL MG2 4.50 (# 46547.1 Unique )
&rst
ixpk= 46547, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1367,1368,1369,
&end
#
# 41 GLU HN 13 VAL MG1 4.60 (# 46553.1 Unique )
&rst
ixpk= 46553, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 217, 218, 219,
&end
#
# 134 ALA HN 129 VAL MG1 3.10 (# 46572.1 Unique )
&rst
ixpk= 46572, nxpk= 0, iat=2082, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=2006,2007,2008,
&end
#
# 33 HIS HN 29 ILE MG2 5.00 (# 46587.1 Unique )
&rst
ixpk= 46587, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 462, 463, 464,
&end
#
# 0 AMB m:46596 116 GLY QA 4.30 (# 46596.1 Single Ambig [HN 117 HN 115] )
&rst
ixpk= 46596, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1829,1807,
igr2=1824,1825,
&end
#
# 115 GLU HN 121 ALA MB 4.80 (# 46604.1 Unique )
&rst
ixpk= 46604, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1881,1882,1883,
&end
#
# 29 ILE HN 29 ILE MG2 4.70 (# 46616.1 Unique )
&rst
ixpk= 46616, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 462, 463, 464,
&end
#
# 79 HIS HN 78 ILE MG2 3.00 (# 46619.1 Unique )
&rst
ixpk= 46619, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1200,1201,1202,
&end
#
# 21 ALA HN 21 ALA MB 2.50 (# 46622.1 Unique )
&rst
ixpk= 46622, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 336, 337, 338,
&end
#
# 93 ASP HN 93 ASP QB 3.00 (# 46628.1 Unique )
&rst
ixpk= 46628, nxpk= 0, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1458,1459,
&end
#
# 126 ASN HN 125 ASN QB 3.30 (# 46672.1 Unique )
&rst
ixpk= 46672, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1950,1951,
&end
#
# 79 HIS HN 78 ILE HB 4.40 (# 46678.1 Unique )
&rst
ixpk= 46678, nxpk= 0, iat=1213,1198, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 126 ASN HN 123 VAL HA 3.90 (# 46684.1 Unique )
&rst
ixpk= 46684, nxpk= 0, iat=1960,1913, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 8 GLU HN 8 GLU QG 4.50 (# 46687.1 Unique; orig = 3.60 )
&rst
ixpk= 46687, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 130, 131,
&end
#
# 58 GLU HN 58 GLU QG 4.50 (# 46693.1 Unique; orig = 3.40 )
&rst
ixpk= 46693, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 882, 883,
&end
#
# 74 MET HN 73 GLU QG 3.90 (# 46699.1 Unique )
&rst
ixpk= 46699, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1127,1128,
&end
#
# 73 GLU HN 73 GLU QG 4.50 (# 46703.1 Unique; orig = 3.80 )
&rst
ixpk= 46703, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1127,1128,
&end
#
# 89 GLU HN 89 GLU QG 2.80 (# 46707.1 Unique )
&rst
ixpk= 46707, nxpk= 0, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1399,1400,
&end
#
# 89 GLU HN 0 AMB m:46711 2.70 (# 46711.1 Single Ambig [QG 89 HB 88] )
&rst
ixpk= 46711, nxpk= 0, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1399,1400,1377,
&end
#
# 41 GLU HN 41 GLU QG 5.20 (# 46719.1 Unique )
&rst
ixpk= 46719, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 658, 659,
&end
#
# 76 GLN HN 76 GLN QB 4.30 (# 46726.1 Unique )
&rst
ixpk= 46726, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1167,1168,
&end
#
# 76 GLN HN 75 SER QB 5.80 (# 46735.1 Unique )
&rst
ixpk= 46735, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1156,1157,
&end
#
# 74 MET HN 74 MET QB 3.60 (# 46741.1 Unique )
&rst
ixpk= 46741, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1139,1140,
&end
#
# 117 GLU HN 117 GLU QB 3.30 (# 46753.1 Unique )
&rst
ixpk= 46753, nxpk= 0, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1833,1834,
&end
#
# 73 GLU HN 73 GLU QB 3.50 (# 46796.1 Unique; orig = 2.70 )
&rst
ixpk= 46796, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1124,1125,
&end
#
# 0 AMB m:46802a 0 AMB m:46802b 4.30 (# 46802.1 Double Ambig [HN 76 HN 73] [QB 76 QB 72] )
&rst
ixpk= 46802, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1163,1120,
igr2=1167,1168,1107,1108,
&end
#
# 40 ARG HN 40 ARG QB 3.30 (# 46812.1 Unique )
&rst
ixpk= 46812, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 631, 632,
&end
#
# 55 LEU HN 51 GLN HA 3.10 (# 46822.1 Unique )
&rst
ixpk= 46822, nxpk= 0, iat= 838, 787, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 97 LYS HN 0 AMB m:46828 3.30 (# 46828.1 Single Ambig [HA 97 HA 96] )
&rst
ixpk= 46828, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1517,1493,
&end
#
# 0 AMB m:46841a 0 AMB m:46841b 4.00 (# 46841.1 Double Ambig [HN 95 HN 93] [HA 94 HA 92] )
&rst
ixpk= 46841, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1481,1454,
igr2=1468,1439,
&end
#
# 89 GLU HN 89 GLU QB 3.10 (# 46845.1 Unique )
&rst
ixpk= 46845, nxpk= 0, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1396,1397,
&end
#
# 21 ALA HN 20 GLU QB 3.70 (# 46849.1 Unique )
&rst
ixpk= 46849, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 321, 322,
&end
#
# 8 GLU HN 8 GLU QB 3.00 (# 46853.1 Unique )
&rst
ixpk= 46853, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 127, 128,
&end
#
# 58 GLU HN 58 GLU QB 3.50 (# 46859.1 Unique; orig = 2.50 )
&rst
ixpk= 46859, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 879, 880,
&end
#
# 97 LYS HN 96 ARG QB 4.50 (# 46865.1 Unique; orig = 3.40 )
&rst
ixpk= 46865, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1495,1496,
&end
#
# 115 GLU HN 115 GLU QB 2.90 (# 46879.1 Unique )
&rst
ixpk= 46879, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1811,1812,
&end
#
# 41 GLU HN 41 GLU QB 2.80 (# 46883.1 Unique )
&rst
ixpk= 46883, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 655, 656,
&end
#
# 38 LEU HN 0 AMB m:46903 3.50 (# 46903.1 Single Ambig [HA 35 HA 38] )
&rst
ixpk= 46903, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 549, 594,
&end
#
# 40 ARG HN 40 ARG QB 3.50 (# 46927.1 Unique; orig = 2.60 )
&rst
ixpk= 46927, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 631, 632,
&end
#
# 38 LEU HN 38 LEU MD1 5.00 (# 46941.1 Unique )
&rst
ixpk= 46941, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 601, 602, 603,
&end
#
# 63 GLU HN 62 LYS QB 3.30 (# 46950.1 Unique )
&rst
ixpk= 46950, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 952, 953,
&end
#
# 133 LYS HN 133 LYS QB 4.50 (# 46959.1 Unique; orig = 3.30 )
&rst
ixpk= 46959, nxpk= 0, iat=2060, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2064,2065,
&end
#
# 141 LEU HN 0 AMB m:46972 4.90 (# 46972.1 Single Ambig [MD1 141 MD2 141] )
&rst
ixpk= 46972, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2211,2212,2213,2215,2216,2217,
&end
#
# 40 ARG HN 0 AMB m:46985 4.00 (# 46985.1 Single Ambig [MG2 39 MG1 39] )
&rst
ixpk= 46985, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 621, 622, 623, 617, 618, 619,
&end
#
# 123 VAL HN 123 VAL MG1 4.30 (# 46992.1 Unique )
&rst
ixpk= 46992, nxpk= 0, iat=1911, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1917,1918,1919,
&end
#
# 30 GLY HN 29 ILE MG2 3.60 (# 46998.1 Unique )
&rst
ixpk= 46998, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 462, 463, 464,
&end
#
# 100 HIS HN 95 ALA MB 5.20 (# 47017.1 Unique )
&rst
ixpk= 47017, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1485,1486,1487,
&end
#
# 95 ALA HN 95 ALA MB 2.50 (# 47020.1 Unique )
&rst
ixpk= 47020, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1485,1486,1487,
&end
#
# 70 ARG HN 70 ARG QB 4.80 (# 47030.1 Unique )
&rst
ixpk= 47030, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1076,1077,
&end
#
# 67 LEU HN 67 LEU QB 3.10 (# 47034.1 Unique )
&rst
ixpk= 47034, nxpk= 0, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1031,1032,
&end
#
# 141 LEU HN 141 LEU QB 2.80 (# 47051.1 Unique )
&rst
ixpk= 47051, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2206,2207,
&end
#
# 43 GLU HN 43 GLU QG 4.50 (# 47078.1 Unique; orig = 3.40 )
&rst
ixpk= 47078, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 680, 681,
&end
#
# 141 LEU HN 140 GLN QB 3.50 (# 47092.1 Unique )
&rst
ixpk= 47092, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2189,2190,
&end
#
# 92 MET HN 92 MET QB 3.90 (# 47108.1 Unique )
&rst
ixpk= 47108, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1441,1442,
&end
#
# 43 GLU HN 43 GLU QB 3.30 (# 47113.1 Unique )
&rst
ixpk= 47113, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 677, 678,
&end
#
# 97 LYS HN 97 LYS QB 2.60 (# 47117.1 Unique )
&rst
ixpk= 47117, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2=1519,1520,
&end
#
# 59 LYS HN 59 LYS QB 3.50 (# 47131.1 Unique; orig = 2.30 )
&rst
ixpk= 47131, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 894, 895,
&end
#
# 30 GLY HN 29 ILE HA 2.80 (# 47144.1 Unique )
&rst
ixpk= 47144, nxpk= 0, iat= 475, 458, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 123 VAL HN 123 VAL HB 2.50 (# 47150.1 Unique )
&rst
ixpk= 47150, nxpk= 0, iat=1911,1915, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 0 AMB m:47157a 0 AMB m:47157b 3.00 (# 47157.1 Double Ambig [HN 123 HN 114] [QB 122 QB 114] )
&rst
ixpk= 47157, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1911,1783,
igr2=1891,1892,1787,1788,
&end
#
# 100 HIS HN 96 ARG HA 4.10 (# 47164.1 Unique )
&rst
ixpk= 47164, nxpk= 0, iat=1563,1493, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 63 GLU HN 63 GLU HA 3.30 (# 47167.1 Unique )
&rst
ixpk= 47167, nxpk= 0, iat= 970, 972, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 59 LYS HN 59 LYS HA 3.00 (# 47173.1 Unique )
&rst
ixpk= 47173, nxpk= 0, iat= 890, 892, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 20 GLU HN 0 AMB m:47182 2.90 (# 47182.1 Single Ambig [QB 20 QB 19] )
&rst
ixpk= 47182, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 321, 322, 306, 307,
&end
#
# 63 GLU HN 63 GLU QB 2.50 (# 47189.1 Unique )
&rst
ixpk= 47189, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 974, 975,
&end
#
# 141 LEU HN 140 GLN QB 3.80 (# 47193.1 Unique )
&rst
ixpk= 47193, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=2189,2190,
&end
#
# 59 LYS HN 58 GLU QB 4.30 (# 47197.1 Unique )
&rst
ixpk= 47197, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 879, 880,
&end
#
# 133 LYS HN 133 LYS QB 6.00 (# 47203.1 Unique )
&rst
ixpk= 47203, nxpk= 0, iat=2060, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2064,2065,
&end
#
# 114 ARG HN 114 ARG QB 3.50 (# 47223.1 Unique )
&rst
ixpk= 47223, nxpk= 0, iat=1783, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1787,1788,
&end
#
# 123 VAL HN 122 ARG QB 5.00 (# 47227.1 Unique )
&rst
ixpk= 47227, nxpk= 0, iat=1911, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1891,1892,
&end
#
# 70 ARG HN 70 ARG QB 4.50 (# 47233.1 Unique; orig = 3.10 )
&rst
ixpk= 47233, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1076,1077,
&end
#
# 142 LEU HN 142 LEU MD2 4.10 (# 47261.1 Unique )
&rst
ixpk= 47261, nxpk= 0, iat=2221, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=2234,2235,2236,
&end
#
# 64 VAL HN 64 VAL MG1 4.10 (# 47264.1 Unique )
&rst
ixpk= 47264, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 991, 992, 993,
&end
#
# 91 SER HN 87 VAL MG1 5.20 (# 47279.1 Unique )
&rst
ixpk= 47279, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1363,1364,1365,
&end
#
# 119 VAL HN 119 VAL MG1 4.70 (# 47282.1 Unique )
&rst
ixpk= 47282, nxpk= 0, iat=1851, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1857,1858,1859,
&end
#
# 5 ARG HN 103 VAL MG2 4.30 (# 47292.1 Unique )
&rst
ixpk= 47292, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1622,1623,1624,
&end
#
# 87 VAL HN 84 ALA MB 5.60 (# 47295.1 Unique )
&rst
ixpk= 47295, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1307,1308,1309,
&end
#
# 94 GLU HN 95 ALA MB 5.80 (# 47307.1 Unique )
&rst
ixpk= 47307, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1485,1486,1487,
&end
#
# 26 HIS HN 21 ALA MB 4.30 (# 47316.1 Unique )
&rst
ixpk= 47316, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 336, 337, 338,
&end
#
# 35 LEU HN 34 ILE MG2 4.10 (# 47319.1 Unique )
&rst
ixpk= 47319, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 534, 535, 536,
&end
#
# 96 ARG HN 95 ALA MB 3.10 (# 47328.1 Unique )
&rst
ixpk= 47328, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1485,1486,1487,
&end
#
# 94 GLU HN 93 ASP QB 3.60 (# 47342.1 Unique )
&rst
ixpk= 47342, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1458,1459,
&end
#
# 142 LEU HN 0 AMB m:47354 3.00 (# 47354.1 Single Ambig [QB 142 QB 141] )
&rst
ixpk= 47354, nxpk= 0, iat=2221, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=2225,2226,2206,2207,
&end
#
# 0 AMB m:47379 45 ILE MD 5.80 (# 47379.1 Single Ambig [HN 142 HN 46] )
&rst
ixpk= 47379, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=2221, 714,
igr2= 708, 709, 710,
&end
#
# 64 VAL HN 64 VAL HA 3.10 (# 47386.1 Unique )
&rst
ixpk= 47386, nxpk= 0, iat= 985, 987, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 64 VAL HN 63 GLU QG 5.80 (# 47406.1 Unique )
&rst
ixpk= 47406, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 977, 978,
&end
#
# 35 LEU HN 34 ILE HB 3.10 (# 47414.1 Unique )
&rst
ixpk= 47414, nxpk= 0, iat= 547, 532, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 61 GLN HN 61 GLN QB 2.50 (# 47429.1 Unique )
&rst
ixpk= 47429, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 935, 936,
&end
#
# 72 GLN HN 72 GLN QB 3.50 (# 47435.1 Unique; orig = 2.80 )
&rst
ixpk= 47435, nxpk= 0, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1107,1108,
&end
#
# 0 AMB m:47439a 0 AMB m:47439b 2.90 (# 47439.1 Double Ambig [HN 51 HN 140] [QB 51 QB 140] )
&rst
ixpk= 47439, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 785,2185,
igr2= 789, 790,2189,2190,
&end
#
# 137 GLN HN 137 GLN QB 4.90 (# 47444.1 Unique )
&rst
ixpk= 47444, nxpk= 0, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2137,2138,
&end
#
# 0 AMB m:47452a 0 AMB m:47452b 4.00 (# 47452.1 Double Ambig [HN 91 HN 94] [QB 91 HA 91] )
&rst
ixpk= 47452, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1426,1466,
igr2=1430,1431,1428,
&end
#
# 119 VAL HN 119 VAL HB 3.40 (# 47468.1 Unique )
&rst
ixpk= 47468, nxpk= 0, iat=1851,1855, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 72 GLN HN 0 AMB m:47481 3.60 (# 47481.1 Single Ambig [QB 72 QB 73] )
&rst
ixpk= 47481, nxpk= 0, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1107,1108,1124,1125,
&end
#
# 87 VAL HN 86 LYS QB 3.60 (# 47491.1 Unique )
&rst
ixpk= 47491, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1339,1340,
&end
#
# 5 ARG HN 5 ARG QB 3.30 (# 47499.1 Unique )
&rst
ixpk= 47499, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 69, 70,
&end
#
# 51 GLN HN 51 GLN HA 2.90 (# 47506.1 Unique )
&rst
ixpk= 47506, nxpk= 0, iat= 785, 787, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 64 VAL HN 61 GLN HA 4.50 (# 47515.1 Unique )
&rst
ixpk= 47515, nxpk= 0, iat= 985, 933, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 GLN HN 61 GLN QB 3.10 (# 47531.1 Unique )
&rst
ixpk= 47531, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 935, 936,
&end
#
# 0 AMB m:47535a 0 AMB m:47535b 2.20 (# 47535.1 Double Ambig [HN 140 HN 51] [QB 140 QB 51] )
&rst
ixpk= 47535, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1=2185, 785,
igr2=2189,2190, 789, 790,
&end
#
# 137 GLN HN 0 AMB m:47540 2.50 (# 47540.1 Single Ambig [QB 137 QB 136] )
&rst
ixpk= 47540, nxpk= 0, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2=2137,2138,2120,2121,
&end
#
# 96 ARG HN 96 ARG QB 2.90 (# 47551.1 Unique )
&rst
ixpk= 47551, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1495,1496,
&end
#
# 46 ALA HN 45 ILE QG1 5.80 (# 47565.1 Unique )
&rst
ixpk= 47565, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 705, 706,
&end
#
# 0 AMB m:47582a 0 AMB m:47582b 5.80 (# 47582.1 Double Ambig [HN 51 HN 140] [HG 50 HG 139] )
&rst
ixpk= 47582, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 785,2185,
igr2= 773,2173,
&end
#
# 96 ARG HN 96 ARG QB 3.60 (# 47589.1 Unique )
&rst
ixpk= 47589, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1495,1496,
&end
#
# 5 ARG HN 5 ARG QB 4.80 (# 47593.1 Unique )
&rst
ixpk= 47593, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 69, 70,
&end
#
# 109 LEU HN 109 LEU HG 5.80 (# 47599.1 Unique )
&rst
ixpk= 47599, nxpk= 0, iat=1700,1707, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 35 LEU HN 0 AMB m:47602 4.20 (# 47602.1 Single Ambig [MD1 112 MD2 35] )
&rst
ixpk= 47602, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1754,1755,1756, 560, 561, 562,
&end
#
# 109 LEU HN 109 LEU MD2 5.10 (# 47606.1 Unique )
&rst
ixpk= 47606, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1713,1714,1715,
&end
#
# 75 SER HN 74 MET HA 4.00 (# 47609.1 Unique )
&rst
ixpk= 47609, nxpk= 0, iat=1152,1137, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 135 ARG HN 134 ALA HA 4.30 (# 47615.1 Unique )
&rst
ixpk= 47615, nxpk= 0, iat=2092,2084, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 48 LYS HN 47 ALA HA 4.20 (# 47621.1 Unique )
&rst
ixpk= 47621, nxpk= 0, iat= 734, 726, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 14 LEU HN 10 ALA HA 5.40 (# 47624.1 Unique )
&rst
ixpk= 47624, nxpk= 0, iat= 227, 164, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 85 LYS HN 85 LYS QB 5.40 (# 47627.1 Unique )
&rst
ixpk= 47627, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1317,1318,
&end
#
# 0 AMB m:47631a 0 AMB m:47631b 3.30 (# 47631.1 Double Ambig [HN 62 HN 48] [QB 62 QB 48] )
&rst
ixpk= 47631, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 948, 734,
igr2= 952, 953, 738, 739,
&end
#
# 9 ARG HN 0 AMB m:47658 6.00 (# 47658.1 Single Ambig [MG2 7 MG2 105] )
&rst
ixpk= 47658, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 115, 116, 117,1641,1642,1643,
&end
#
# 120 ALA HN 119 VAL MG1 3.80 (# 47662.1 Unique )
&rst
ixpk= 47662, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1857,1858,1859,
&end
#
# 36 LEU HN 0 AMB m:47671 4.10 (# 47671.1 Single Ambig [MD2 36 MD1 36] )
&rst
ixpk= 47671, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 579, 580, 581, 575, 576, 577,
&end
#
# 98 LEU HN 0 AMB m:47678 3.90 (# 47678.1 Single Ambig [MD1 98 MD2 98] )
&rst
ixpk= 47678, nxpk= 0, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 60 ILE HN 0 AMB m:47685 6.00 (# 47685.1 Single Ambig [MG1 39 MG2 39] )
&rst
ixpk= 47685, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 617, 618, 619, 621, 622, 623,
&end
#
# 22 LEU HN 21 ALA MB 2.60 (# 47713.1 Unique )
&rst
ixpk= 47713, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 336, 337, 338,
&end
#
# 122 ARG HN 122 ARG QB 5.60 (# 47725.1 Unique )
&rst
ixpk= 47725, nxpk= 0, iat=1887, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1891,1892,
&end
#
# 127 LEU HN 127 LEU QB 3.30 (# 47736.1 Unique )
&rst
ixpk= 47736, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1978,1979,
&end
#
# 125 ASN HN 125 ASN QB 2.70 (# 47773.1 Unique )
&rst
ixpk= 47773, nxpk= 0, iat=1946, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2=1950,1951,
&end
#
# 9 ARG HN 8 GLU QG 6.00 (# 47789.1 Unique )
&rst
ixpk= 47789, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 130, 131,
&end
#
# 75 SER HN 73 GLU QG 4.50 (# 47795.1 Unique; orig = 3.40 )
&rst
ixpk= 47795, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1127,1128,
&end
#
# 62 LYS HN 61 GLN QB 5.20 (# 47808.1 Unique )
&rst
ixpk= 47808, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 935, 936,
&end
#
# 60 ILE HN 61 GLN QB 6.00 (# 47814.1 Unique )
&rst
ixpk= 47814, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 935, 936,
&end
#
# 75 SER HN 75 SER QB 4.50 (# 47820.1 Unique; orig = 3.10 )
&rst
ixpk= 47820, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1156,1157,
&end
#
# 75 SER HN 74 MET QB 5.80 (# 47835.1 Unique )
&rst
ixpk= 47835, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1139,1140,
&end
#
# 85 LYS HN 85 LYS QB 2.80 (# 47841.1 Unique )
&rst
ixpk= 47841, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1317,1318,
&end
#
# 60 ILE HN 59 LYS QB 3.30 (# 47845.1 Unique )
&rst
ixpk= 47845, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 894, 895,
&end
#
# 98 LEU HN 97 LYS QB 3.90 (# 47849.1 Unique )
&rst
ixpk= 47849, nxpk= 0, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1519,1520,
&end
#
# 122 ARG HN 122 ARG QB 3.00 (# 47873.1 Unique )
&rst
ixpk= 47873, nxpk= 0, iat=1887, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1891,1892,
&end
#
# 9 ARG HN 8 GLU QB 4.50 (# 47898.1 Unique; orig = 3.10 )
&rst
ixpk= 47898, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 127, 128,
&end
#
# 65 GLU HN 65 GLU QB 2.80 (# 47904.1 Unique )
&rst
ixpk= 47904, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1005,1006,
&end
#
# 135 ARG HN 135 ARG QB 5.40 (# 47908.1 Unique )
&rst
ixpk= 47908, nxpk= 0, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=2096,2097,
&end
#
# 85 LYS HN 85 LYS QB 5.20 (# 47914.1 Unique )
&rst
ixpk= 47914, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1317,1318,
&end
#
# 62 LYS HN 62 LYS QB 5.20 (# 47918.1 Unique )
&rst
ixpk= 47918, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 952, 953,
&end
#
# 22 LEU HN 22 LEU HG 2.40 (# 47947.1 Unique )
&rst
ixpk= 47947, nxpk= 0, iat= 342, 349, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 50 LEU HN 49 ALA HA 3.80 (# 47965.1 Unique )
&rst
ixpk= 47965, nxpk= 0, iat= 766, 758, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 28 ASN HN 28 ASN QB 3.90 (# 47994.1 Unique )
&rst
ixpk= 47994, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 446, 447,
&end
#
# 36 LEU HN 0 AMB m:48000 3.00 (# 48000.1 Single Ambig [QB 36 QB 35] )
&rst
ixpk= 48000, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 570, 571, 551, 552,
&end
#
# 144 SER HN 144 SER QB 2.80 (# 48030.1 Unique )
&rst
ixpk= 48030, nxpk= 0, iat=2247, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2251,2252,
&end
#
# 136 GLN HN 135 ARG HA 4.00 (# 48040.1 Unique )
&rst
ixpk= 48040, nxpk= 0, iat=2116,2094, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 136 GLN HN 136 GLN HA 3.10 (# 48053.1 Unique )
&rst
ixpk= 48053, nxpk= 0, iat=2116,2118, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 18 GLN HN 18 GLN QB 2.80 (# 48059.1 Unique )
&rst
ixpk= 48059, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 289, 290,
&end
#
# 11 GLN HN 11 GLN QB 2.70 (# 48063.1 Unique )
&rst
ixpk= 48063, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 176, 177,
&end
#
# 83 ARG HN 83 ARG QB 5.60 (# 48069.1 Unique )
&rst
ixpk= 48069, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1283,1284,
&end
#
# 136 GLN HN 136 GLN QB 2.40 (# 48073.1 Unique )
&rst
ixpk= 48073, nxpk= 0, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr2=2120,2121,
&end
#
# 77 THR HN 77 THR MG2 4.50 (# 48106.1 Unique; orig = 3.40 )
&rst
ixpk= 48106, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1186,1187,1188,
&end
#
# 132 ASN HN 132 ASN QB 2.60 (# 48126.1 Unique )
&rst
ixpk= 48126, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2=2050,2051,
&end
#
# 77 THR HN 76 GLN QB 4.50 (# 48130.1 Unique; orig = 3.50 )
&rst
ixpk= 48130, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1167,1168,
&end
#
# 77 THR HN 76 GLN QB 4.50 (# 48137.1 Unique )
&rst
ixpk= 48137, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1167,1168,
&end
#
# 68 ILE HN 119 VAL MG1 4.10 (# 48154.1 Unique )
&rst
ixpk= 48154, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1857,1858,1859,
&end
#
# 39 VAL HN 0 AMB m:48157 2.40 (# 48157.1 Single Ambig [MG2 39 MG1 39] )
&rst
ixpk= 48157, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 621, 622, 623, 617, 618, 619,
&end
#
# 28 ASN QD2 28 ASN QB 5.40 (# 48167.1 Unique )
&rst
ixpk= 48167, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 451, 452,
igr2= 446, 447,
&end
#
# 28 ASN QD2 28 ASN QB 3.80 (# 48177.1 Unique )
&rst
ixpk= 48177, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 451, 452,
igr2= 446, 447,
&end
#
# 132 ASN QD2 132 ASN QB 3.70 (# 48183.1 Unique )
&rst
ixpk= 48183, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=2055,2056,
igr2=2050,2051,
&end
#
# 66 SER HN 0 AMB m:48204 4.50 (# 48204.1 Single Ambig [HA 63 HA 62] )
&rst
ixpk= 48204, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 972, 950,
&end
#
# 66 SER HN 65 GLU QB 3.30 (# 48214.1 Unique )
&rst
ixpk= 48214, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1005,1006,
&end
#
# 39 VAL HN 0 AMB m:48218 4.10 (# 48218.1 Single Ambig [HA 36 HA 35 HA 38] )
&rst
ixpk= 48218, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 568, 549, 594,
&end
#
# 137 GLN QE2 53 LEU MD1 5.20 (# 48223.1 Unique )
&rst
ixpk= 48223, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=2145,2146,
igr2= 821, 822, 823,
&end
#
# 125 ASN QD2 125 ASN QB 4.10 (# 48232.1 Unique )
&rst
ixpk= 48232, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1955,1956,
igr2=1950,1951,
&end
#
# 125 ASN QD2 125 ASN QB 5.60 (# 48238.1 Unique )
&rst
ixpk= 48238, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1955,1956,
igr2=1950,1951,
&end
#
# 0 AMB m:48264a 0 AMB m:48264b 4.70 (# 48264.1 Double Ambig [QE2 72 QE2 136] [QB 72 QB 136] )
&rst
ixpk= 48264, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1=1115,1116,2128,2129,
igr2=1107,1108,2120,2121,
&end
#
# 137 GLN QE2 137 GLN QB 5.00 (# 48278.1 Unique )
&rst
ixpk= 48278, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2145,2146,
igr2=2137,2138,
&end
#
# 137 GLN QE2 137 GLN QB 3.60 (# 48282.1 Unique )
&rst
ixpk= 48282, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2145,2146,
igr2=2137,2138,
&end
#
# 0 AMB m:48286a 0 AMB m:48286b 2.30 (# 48286.1 Double Ambig [HN 105 HN 31] [MG2 105 MG2 31] )
&rst
ixpk= 48286, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1635, 482,
igr2=1641,1642,1643, 488, 489, 490,
&end
#
# 0 AMB m:48290a 0 AMB m:48290b 3.80 (# 48290.1 Double Ambig [HN 105 HN 31] [MB 10 MB 84] )
&rst
ixpk= 48290, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1635, 482,
igr2= 166, 167, 168,1307,1308,1309,
&end
#
# 61 GLN QE2 61 GLN QB 2.80 (# 48305.1 Unique )
&rst
ixpk= 48305, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 943, 944,
igr2= 935, 936,
&end
#
# 61 GLN QE2 61 GLN QB 4.30 (# 48323.1 Unique )
&rst
ixpk= 48323, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 943, 944,
igr2= 935, 936,
&end
#
# 140 GLN QE2 140 GLN QB 3.80 (# 48340.1 Unique )
&rst
ixpk= 48340, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=2197,2198,
igr2=2189,2190,
&end
#
# 71 GLY HN 70 ARG QB 4.50 (# 48344.1 Unique; orig = 3.60 )
&rst
ixpk= 48344, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1076,1077,
&end
#
# 0 AMB m:48377a 0 AMB m:48377b 5.50 (# 48377.1 Double Ambig [HN 25 HN 99] [MD2 24 MD1 98 MD2 98 MD1 24] )
&rst
ixpk= 48377, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 404,1556,
igr2= 398, 399, 400,1546,1547,1548,1550,1551,1552, 394,
395, 396,
&end
#
# 37 GLY HN 37 GLY QA 2.80 (# 48386.1 Unique )
&rst
ixpk= 48386, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 587, 588,
&end
#
# 54 GLY HN 52 ALA MB 5.60 (# 48392.1 Unique )
&rst
ixpk= 48392, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 806, 807, 808,
&end
#
# 0 AMB m:48395a 0 AMB m:48395b 5.80 (# 48395.1 Double Ambig [HN 99 HN 25] [MB 95 MB 21] )
&rst
ixpk= 48395, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr1=1556, 404,
igr2=1485,1486,1487, 336, 337, 338,
&end
#
# 0 AMB m:48403a 0 AMB m:48403b 3.10 (# 48403.1 Double Ambig [HN 99 HN 25] [QA 99 QA 25] )
&rst
ixpk= 48403, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1556, 404,
igr2=1558,1559, 406, 407,
&end
#
# 56 GLY HN 59 LYS QB 3.60 (# 48412.1 Unique )
&rst
ixpk= 48412, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 894, 895,
&end
#
# 54 GLY HN 51 GLN HA 5.10 (# 48416.1 Unique )
&rst
ixpk= 48416, nxpk= 0, iat= 831, 787, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 0 AMB m:48419a 0 AMB m:48419b 3.90 (# 48419.1 Double Ambig [HN 99 HN 25] [HA 96 HA 23] )
&rst
ixpk= 48419, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1556, 404,
igr2=1493, 363,
&end
#
# 54 GLY HN 51 GLN QB 5.20 (# 48423.1 Unique )
&rst
ixpk= 48423, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 789, 790,
&end
#
# 128 GLY HN 129 VAL MG2 4.50 (# 48426.1 Unique )
&rst
ixpk= 48426, nxpk= 0, iat=1993, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2010,2011,2012,
&end
#
# 143 GLY HN 142 LEU QB 4.60 (# 48437.1 Unique )
&rst
ixpk= 48437, nxpk= 0, iat=2240, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2225,2226,
&end
#
# 143 GLY HN 140 GLN HA 5.40 (# 48441.1 Unique )
&rst
ixpk= 48441, nxpk= 0, iat=2240,2187, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 104 GLY HN 95 ALA MB 5.40 (# 48444.1 Unique )
&rst
ixpk= 48444, nxpk= 0, iat=1628, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1485,1486,1487,
&end
#
# 104 GLY HN 103 VAL HB 6.00 (# 48447.1 Unique )
&rst
ixpk= 48447, nxpk= 0, iat=1628,1616, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 102 TYR HN 7 THR MG2 6.00 (# 48450.1 Unique )
&rst
ixpk= 48450, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 115, 116, 117,
&end
#
# 102 TYR HN 100 HIS QB 4.60 (# 48456.1 Unique )
&rst
ixpk= 48456, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1567,1568,
&end
#
# 106 GLU HN 106 GLU QG 3.30 (# 48460.1 Unique )
&rst
ixpk= 48460, nxpk= 0, iat=1649, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1656,1657,
&end
#
# 106 GLU HN 45 ILE HB 5.20 (# 48464.1 Unique )
&rst
ixpk= 48464, nxpk= 0, iat=1649, 699, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 106 GLU HN 45 ILE MG2 6.00 (# 48467.1 Unique )
&rst
ixpk= 48467, nxpk= 0, iat=1649, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 701, 702, 703,
&end
#
# 106 GLU HN 138 VAL MG1 6.00 (# 48470.1 Unique )
&rst
ixpk= 48470, nxpk= 0, iat=1649, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2156,2157,2158,
&end
#
# 106 GLU HN 105 THR MG2 5.60 (# 48473.1 Unique )
&rst
ixpk= 48473, nxpk= 0, iat=1649, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1641,1642,1643,
&end
#
# 106 GLU HN 46 ALA MB 5.20 (# 48476.1 Unique )
&rst
ixpk= 48476, nxpk= 0, iat=1649, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 718, 719, 720,
&end
#
# 107 HIS HN 106 GLU QB 5.40 (# 48483.1 Unique )
&rst
ixpk= 48483, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1653,1654,
&end
#
# 4 GLY HN 3 PHE QB 4.50 (# 48528.1 Unique; orig = 3.40 )
&rst
ixpk= 48528, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 42, 43,
&end
#
# 10 ALA HN 9 ARG HA 4.30 (# 48539.1 Unique )
&rst
ixpk= 48539, nxpk= 0, iat= 162, 140, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 10 ALA HN 9 ARG QB 4.80 (# 48542.1 Unique )
&rst
ixpk= 48542, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 142, 143,
&end
#
# 11 GLN HN 12 LYS QB 5.60 (# 48549.1 Unique )
&rst
ixpk= 48549, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 193, 194,
&end
#
# 116 GLY HN 87 VAL MG2 5.60 (# 48578.1 Unique )
&rst
ixpk= 48578, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1367,1368,1369,
&end
#
# 143 GLY HN 0 AMB m:48589 4.30 (# 48589.1 Single Ambig [MD2 142 MD1 141] )
&rst
ixpk= 48589, nxpk= 0, iat=2240, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2234,2235,2236,2211,2212,2213,
&end
#
# 132 ASN HN 131 LEU HG 5.80 (# 48603.1 Unique )
&rst
ixpk= 48603, nxpk= 0, iat=2046,2034, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 132 ASN HN 134 ALA MB 6.00 (# 48606.1 Unique )
&rst
ixpk= 48606, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2086,2087,2088,
&end
#
# 132 ASN HN 113 ILE MG2 6.00 (# 48609.1 Unique )
&rst
ixpk= 48609, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1770,1771,1772,
&end
#
# 130 SER HN 133 LYS QB 6.00 (# 48620.1 Unique )
&rst
ixpk= 48620, nxpk= 0, iat=2016, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2064,2065,
&end
#
# 126 ASN HN 122 ARG HA 5.00 (# 48632.1 Unique )
&rst
ixpk= 48632, nxpk= 0, iat=1960,1889, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 123 VAL HN 120 ALA MB 5.80 (# 48651.1 Unique )
&rst
ixpk= 48651, nxpk= 0, iat=1911, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1871,1872,1873,
&end
#
# 122 ARG HN 120 ALA MB 5.80 (# 48654.1 Unique )
&rst
ixpk= 48654, nxpk= 0, iat=1887, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1871,1872,1873,
&end
#
# 44 GLY HN 43 GLU QG 4.80 (# 48671.1 Unique )
&rst
ixpk= 48671, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 680, 681,
&end
#
# 118 GLY HN 117 GLU QB 5.20 (# 48679.1 Unique )
&rst
ixpk= 48679, nxpk= 0, iat=1844, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1833,1834,
&end
#
# 55 LEU HN 60 ILE MD 5.60 (# 48683.1 Unique )
&rst
ixpk= 48683, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 925, 926, 927,
&end
#
# 111 GLY HN 108 ILE MG2 5.40 (# 48717.1 Unique )
&rst
ixpk= 48717, nxpk= 0, iat=1738, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1687,1688,1689,
&end
#
# 104 GLY HN 107 HIS QB 4.10 (# 48749.1 Unique )
&rst
ixpk= 48749, nxpk= 0, iat=1628, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1668,1669,
&end
#
# 100 HIS HN 0 AMB m:48764 6.00 (# 48764.1 Single Ambig [MD1 98 MD2 98] )
&rst
ixpk= 48764, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1546,1547,1548,1550,1551,1552,
&end
#
# 38 LEU HN 34 ILE MG2 5.40 (# 48768.1 Unique )
&rst
ixpk= 48768, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 534, 535, 536,
&end
#
# 96 ARG HN 97 LYS QB 6.00 (# 48774.1 Unique )
&rst
ixpk= 48774, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1519,1520,
&end
#
# 0 AMB m:48779 90 LEU HA 4.70 (# 48779.1 Single Ambig [HN 91 HN 94] )
&rst
ixpk= 48779, nxpk= 0, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1426,1466,
&end
#
# 93 ASP HN 92 MET QB 4.60 (# 48786.1 Unique )
&rst
ixpk= 48786, nxpk= 0, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1441,1442,
&end
#
# 90 LEU HN 89 GLU QB 3.80 (# 48819.1 Unique )
&rst
ixpk= 48819, nxpk= 0, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1396,1397,
&end
#
# 86 LYS HN 86 LYS QB 4.40 (# 48825.1 Unique )
&rst
ixpk= 48825, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1339,1340,
&end
#
# 86 LYS HN 87 VAL MG2 5.70 (# 48829.1 Unique )
&rst
ixpk= 48829, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1367,1368,1369,
&end
#
# 83 ARG HN 82 PRO QB 4.80 (# 48835.1 Unique )
&rst
ixpk= 48835, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1272,1273,
&end
#
# 81 THR HN 29 ILE HB 5.20 (# 48843.1 Unique )
&rst
ixpk= 48843, nxpk= 0, iat=1251, 460, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 75 SER HN 27 ASN QB 6.00 (# 48846.1 Unique )
&rst
ixpk= 48846, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 432, 433,
&end
#
# 66 SER HN 0 AMB m:48868 6.00 (# 48868.1 Single Ambig [MG2 64 MG2 123] )
&rst
ixpk= 48868, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 995, 996, 997,1921,1922,1923,
&end
#
# 66 SER HN 64 VAL HB 6.00 (# 48876.1 Unique )
&rst
ixpk= 48876, nxpk= 0, iat=1016, 989, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 66 SER HN 67 LEU HG 6.00 (# 48879.1 Unique )
&rst
ixpk= 48879, nxpk= 0, iat=1016,1034, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 27 ASN HN 26 HIS QB 4.40 (# 48882.1 Unique )
&rst
ixpk= 48882, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 415, 416,
&end
#
# 65 GLU HN 64 VAL HA 4.00 (# 48886.1 Unique )
&rst
ixpk= 48886, nxpk= 0, iat=1001, 987, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 65 GLU HN 61 GLN HA 4.50 (# 48889.1 Unique )
&rst
ixpk= 48889, nxpk= 0, iat=1001, 933, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 GLU HN 0 AMB m:48892 4.60 (# 48892.1 Single Ambig [HA 62 HA 63] )
&rst
ixpk= 48892, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 950, 972,
&end
#
# 27 ASN HN 21 ALA MB 5.80 (# 48896.1 Unique )
&rst
ixpk= 48896, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 336, 337, 338,
&end
#
# 65 GLU HN 64 VAL MG1 3.30 (# 48899.1 Unique )
&rst
ixpk= 48899, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 991, 992, 993,
&end
#
# 65 GLU HN 0 AMB m:48902 5.80 (# 48902.1 Single Ambig [MG2 64 MG2 123] )
&rst
ixpk= 48902, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr2= 995, 996, 997,1921,1922,1923,
&end
#
# 27 ASN HN 72 GLN QB 6.00 (# 48909.1 Unique; orig = 5.40 )
&rst
ixpk= 48909, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1107,1108,
&end
#
# 0 AMB m:48913a 0 AMB m:48913b 6.00 (# 48913.1 Double Ambig [HN 48 HN 124] [MB 46 MB 120] )
&rst
ixpk= 48913, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 734,1927,
igr2= 718, 719, 720,1871,1872,1873,
&end
#
# 61 GLN HN 57 SER HA 4.70 (# 48920.1 Unique )
&rst
ixpk= 48920, nxpk= 0, iat= 931, 866, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 61 GLN HN 60 ILE MD 5.60 (# 48933.1 Unique )
&rst
ixpk= 48933, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 925, 926, 927,
&end
#
# 60 ILE HN 57 SER HA 4.50 (# 48936.1 Unique )
&rst
ixpk= 48936, nxpk= 0, iat= 912, 866, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 ILE HN 59 LYS QB 4.80 (# 48943.1 Unique )
&rst
ixpk= 48943, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 894, 895,
&end
#
# 59 LYS HN 58 GLU QG 3.80 (# 48947.1 Unique )
&rst
ixpk= 48947, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 882, 883,
&end
#
# 59 LYS HN 60 ILE HA 6.00 (# 48953.1 Unique )
&rst
ixpk= 48953, nxpk= 0, iat= 890, 914, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 59 LYS HN 0 AMB m:48956 5.20 (# 48956.1 Single Ambig [HA 57 QB 57] )
&rst
ixpk= 48956, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 866, 868, 869,
&end
#
# 57 SER HN 39 VAL HB 6.00 (# 48961.1 Unique )
&rst
ixpk= 48961, nxpk= 0, iat= 864, 615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 57 SER HN 58 GLU QB 6.00 (# 48964.1 Unique )
&rst
ixpk= 48964, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 879, 880,
&end
#
# 56 GLY HN 55 LEU QB 5.60 (# 48970.1 Unique )
&rst
ixpk= 48970, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 842, 843,
&end
#
# 56 GLY HN 59 LYS QB 5.60 (# 48974.1 Unique )
&rst
ixpk= 48974, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 894, 895,
&end
#
# 54 GLY HN 51 GLN QB 6.00 (# 48982.1 Unique )
&rst
ixpk= 48982, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 789, 790,
&end
#
# 46 ALA HN 45 ILE HA 4.60 (# 48995.1 Unique )
&rst
ixpk= 48995, nxpk= 0, iat= 714, 697, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 43 GLU HN 41 GLU HA 4.20 (# 49012.1 Unique )
&rst
ixpk= 49012, nxpk= 0, iat= 673, 653, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 41 GLU HN 0 AMB m:49015 6.00 (# 49015.1 Single Ambig [MG2 39 MG1 39] )
&rst
ixpk= 49015, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 621, 622, 623, 617, 618, 619,
&end
#
# 37 GLY HN 34 ILE HA 3.90 (# 49023.1 Unique )
&rst
ixpk= 49023, nxpk= 0, iat= 585, 530, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 36 LEU HN 60 ILE MG2 5.20 (# 49036.1 Unique )
&rst
ixpk= 49036, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 918, 919, 920,
&end
#
# 121 ALA HN 120 ALA MB 2.50 (# 49042.1 Unique )
&rst
ixpk= 49042, nxpk= 0, iat=1877, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1871,1872,1873,
&end
#
# 32 GLU HN 31 THR MG2 5.60 (# 49045.1 Unique )
&rst
ixpk= 49045, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 488, 489, 490,
&end
#
# 30 GLY HN 0 AMB m:49051 4.30 (# 49051.1 Single Ambig [MG2 81 MG2 31] )
&rst
ixpk= 49051, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1257,1258,1259, 488, 489, 490,
&end
#
# 30 GLY HN 84 ALA MB 6.00 (# 49055.1 Unique )
&rst
ixpk= 49055, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1307,1308,1309,
&end
#
# 28 ASN HN 78 ILE MD 4.80 (# 49068.1 Unique )
&rst
ixpk= 49068, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1207,1208,1209,
&end
#
# 28 ASN HN 21 ALA MB 3.90 (# 49071.1 Unique )
&rst
ixpk= 49071, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 336, 337, 338,
&end
#
# 26 HIS HN 25 GLY QA 5.20 (# 49074.1 Unique )
&rst
ixpk= 49074, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 406, 407,
&end
#
# 23 ARG HN 0 AMB m:49090 6.00 (# 49090.1 Single Ambig [MD1 24 MD2 24] )
&rst
ixpk= 49090, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 394, 395, 396, 398, 399, 400,
&end
#
# 21 ALA HN 19 GLU HA 4.70 (# 49100.1 Unique )
&rst
ixpk= 49100, nxpk= 0, iat= 332, 304, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 17 ALA HN 37 GLY QA 4.30 (# 49122.1 Unique )
&rst
ixpk= 49122, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 587, 588,
&end
#
# 17 ALA HN 13 VAL HA 5.20 (# 49128.1 Unique )
&rst
ixpk= 49128, nxpk= 0, iat= 275, 213, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 16 LEU HN 19 GLU QB 6.00 (# 49141.1 Unique )
&rst
ixpk= 49141, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 306, 307,
&end
#
# 16 LEU HN 12 LYS QB 6.00 (# 49148.1 Unique )
&rst
ixpk= 49148, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 193, 194,
&end
#
# 15 ALA HN 14 LEU HG 5.80 (# 49159.1 Unique )
&rst
ixpk= 49159, nxpk= 0, iat= 246, 234, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 15 ALA HN 12 LYS HA 4.70 (# 49162.1 Unique )
&rst
ixpk= 49162, nxpk= 0, iat= 246, 191, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 10 ALA HN 11 GLN QB 6.00 (# 49174.1 Unique )
&rst
ixpk= 49174, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 176, 177,
&end
#
# 68 ILE HN 67 LEU QB 3.40 (# 49185.1 Unique )
&rst
ixpk= 49185, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1031,1032,
&end
#
# 28 ASN HN 27 ASN QB 4.80 (# 49193.1 Unique )
&rst
ixpk= 49193, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 432, 433,
&end
#
# 35 LEU HN 34 ILE QG1 5.20 (# 49197.1 Unique )
&rst
ixpk= 49197, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 538, 539,
&end
#
# 5 ARG HN 5 ARG QB 6.00 (# 49201.1 Unique )
&rst
ixpk= 49201, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 69, 70,
&end
#
# 6 PHE HN 5 ARG QB 4.80 (# 49205.1 Unique )
&rst
ixpk= 49205, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 69, 70,
&end
#
# 6 PHE HN 5 ARG QB 5.60 (# 49211.1 Unique )
&rst
ixpk= 49211, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 69, 70,
&end
#
# 7 THR HN 103 VAL HB 5.80 (# 49222.1 Unique )
&rst
ixpk= 49222, nxpk= 0, iat= 109,1616, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 9 ARG HN 10 ALA MB 6.00 (# 49228.1 Unique )
&rst
ixpk= 49228, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 166, 167, 168,
&end
#
# 11 GLN HN 6 PHE QB 5.20 (# 49231.1 Unique )
&rst
ixpk= 49231, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 93, 94,
&end
#
# 20 GLU HN 19 GLU HA 4.10 (# 49250.1 Unique )
&rst
ixpk= 49250, nxpk= 0, iat= 317, 304, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 22 LEU HN 18 GLN QB 5.40 (# 49257.1 Unique )
&rst
ixpk= 49257, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 289, 290,
&end
#
# 22 LEU HN 21 ALA HA 4.30 (# 49261.1 Unique )
&rst
ixpk= 49261, nxpk= 0, iat= 342, 334, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 24 LEU HN 23 ARG HA 4.80 (# 49270.1 Unique )
&rst
ixpk= 49270, nxpk= 0, iat= 385, 363, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 25 GLY HN 24 LEU HG 6.00 (# 49273.1 Unique )
&rst
ixpk= 49273, nxpk= 0, iat= 404, 392, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 99 GLY HN 100 HIS QB 6.00 (# 49280.1 Unique )
&rst
ixpk= 49280, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1567,1568,
&end
#
# 27 ASN HN 27 ASN QB 3.80 (# 49287.1 Unique )
&rst
ixpk= 49287, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 432, 433,
&end
#
# 28 ASN HN 78 ILE MG2 5.60 (# 49291.1 Unique )
&rst
ixpk= 49291, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1200,1201,1202,
&end
#
# 13 VAL HN 41 GLU QG 4.80 (# 49294.1 Unique )
&rst
ixpk= 49294, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 658, 659,
&end
#
# 36 LEU HN 32 GLU HA 5.10 (# 49301.1 Unique )
&rst
ixpk= 49301, nxpk= 0, iat= 566, 498, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 36 LEU HN 39 VAL MG2 5.00 (# 49304.1 Unique )
&rst
ixpk= 49304, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 621, 622, 623,
&end
#
# 36 LEU HN 35 LEU HG 5.00 (# 49311.1 Unique )
&rst
ixpk= 49311, nxpk= 0, iat= 566, 554, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 36 LEU HN 37 GLY QA 6.00 (# 49314.1 Unique )
&rst
ixpk= 49314, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 587, 588,
&end
#
# 97 LYS HN 95 ALA HA 4.80 (# 49328.1 Unique )
&rst
ixpk= 49328, nxpk= 0, iat=1515,1483, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 38 LEU HN 39 VAL MG2 5.00 (# 49331.1 Unique )
&rst
ixpk= 49331, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 621, 622, 623,
&end
#
# 41 GLU HN 37 GLY QA 5.20 (# 49334.1 Unique )
&rst
ixpk= 49334, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 587, 588,
&end
#
# 42 GLY HN 41 GLU QG 5.10 (# 49339.1 Unique )
&rst
ixpk= 49339, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 658, 659,
&end
#
# 46 ALA HN 38 LEU MD2 5.20 (# 49342.1 Unique )
&rst
ixpk= 49342, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 605, 606, 607,
&end
#
# 53 LEU HN 50 LEU HA 3.90 (# 49360.1 Unique )
&rst
ixpk= 49360, nxpk= 0, iat= 812, 768, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 56 GLY HN 59 LYS QB 5.40 (# 49363.1 Unique )
&rst
ixpk= 49363, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 894, 895,
&end
#
# 56 GLY HN 51 GLN QB 6.00 (# 49367.1 Unique )
&rst
ixpk= 49367, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 789, 790,
&end
#
# 59 LYS HN 62 LYS QB 6.00 (# 49374.1 Unique )
&rst
ixpk= 49374, nxpk= 0, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 952, 953,
&end
#
# 71 GLY HN 70 ARG QB 5.40 (# 49388.1 Unique )
&rst
ixpk= 49388, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1076,1077,
&end
#
# 88 ILE HN 89 GLU QB 6.00 (# 49402.1 Unique )
&rst
ixpk= 49402, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1396,1397,
&end
#
# 102 TYR HN 103 VAL HA 5.40 (# 49412.1 Unique )
&rst
ixpk= 49412, nxpk= 0, iat=1591,1614, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 103 VAL HN 102 TYR HD 5.00 (# 49415.1 Unique )
&rst
ixpk= 49415, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1599,1608,
&end
#
# 110 LEU HN 109 LEU MD2 6.00 (# 49421.1 Unique )
&rst
ixpk= 49421, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1713,1714,1715,
&end
#
# 110 LEU HN 110 LEU MD1 5.60 (# 49424.1 Unique )
&rst
ixpk= 49424, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1728,1729,1730,
&end
#
# 119 VAL HN 120 ALA MB 6.00 (# 49431.1 Unique )
&rst
ixpk= 49431, nxpk= 0, iat=1851, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1871,1872,1873,
&end
#
# 120 ALA HN 121 ALA MB 5.60 (# 49434.1 Unique )
&rst
ixpk= 49434, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1881,1882,1883,
&end
#
# 120 ALA HN 32 GLU QB 5.10 (# 49440.1 Unique )
&rst
ixpk= 49440, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 500, 501,
&end
#
# 122 ARG HN 121 ALA HA 4.00 (# 49443.1 Unique )
&rst
ixpk= 49443, nxpk= 0, iat=1887,1879, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 125 ASN HN 124 LEU HG 5.80 (# 49446.1 Unique )
&rst
ixpk= 49446, nxpk= 0, iat=1946,1934, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 128 GLY HN 129 VAL HB 6.00 (# 49453.1 Unique )
&rst
ixpk= 49453, nxpk= 0, iat=1993,2004, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 129 VAL HN 124 LEU HA 4.90 (# 49459.1 Unique )
&rst
ixpk= 49459, nxpk= 0, iat=2000,1929, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 136 GLN HN 135 ARG QB 5.00 (# 49466.1 Unique )
&rst
ixpk= 49466, nxpk= 0, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2096,2097,
&end
#
# 137 GLN HN 138 VAL HB 5.80 (# 49472.1 Unique )
&rst
ixpk= 49472, nxpk= 0, iat=2133,2154, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 144 SER HN 140 GLN HA 4.60 (# 49475.1 Unique )
&rst
ixpk= 49475, nxpk= 0, iat=2247,2187, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 11 GLN QE2 11 GLN QB 4.50 (# 49485.1 Unique; orig = 3.40 )
&rst
ixpk= 49485, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 184, 185,
igr2= 176, 177,
&end
#
# 11 GLN QE2 11 GLN QB 6.00 (# 49493.1 Unique )
&rst
ixpk= 49493, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 184, 185,
igr2= 176, 177,
&end
#
# 0 AMB m:49497a 0 AMB m:49497b 5.60 (# 49497.1 Double Ambig [QE2 18 QE2 140] [QB 18 QB 140] )
&rst
ixpk= 49497, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
igr1= 297, 298,2197,2198,
igr2= 289, 290,2189,2190,
&end
#
# 18 GLN QE2 18 GLN QB 4.50 (# 49505.1 Unique; orig = 3.30 )
&rst
ixpk= 49505, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 297, 298,
igr2= 289, 290,
&end
#
# 18 GLN QE2 21 ALA MB 6.00 (# 49509.1 Unique )
&rst
ixpk= 49509, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 297, 298,
igr2= 336, 337, 338,
&end
#
# 51 GLN QE2 51 GLN QB 6.00 (# 49519.1 Unique )
&rst
ixpk= 49519, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 797, 798,
igr2= 789, 790,
&end
#
# 61 GLN QE2 61 GLN QB 5.60 (# 49523.1 Unique )
&rst
ixpk= 49523, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 943, 944,
igr2= 935, 936,
&end
#
# 61 GLN QE2 61 GLN QB 5.80 (# 49526.1 Unique )
&rst
ixpk= 49526, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 943, 944,
igr2= 935, 936,
&end
#
# 61 GLN QE2 39 VAL MG1 6.00 (# 49530.1 Unique; orig = 5.20 )
&rst
ixpk= 49530, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 943, 944,
igr2= 617, 618, 619,
&end
#
# 72 GLN QE2 72 GLN QB 5.60 (# 49537.1 Unique )
&rst
ixpk= 49537, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1115,1116,
igr2=1107,1108,
&end
#
# 35 LEU HN 35 LEU HG 5.40 (# 49556.1 Unique )
&rst
ixpk= 49556, nxpk= 0, iat= 547, 554, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 35 LEU HN 34 ILE HA 4.10 (# 49559.1 Unique )
&rst
ixpk= 49559, nxpk= 0, iat= 547, 530, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 32 GLU HN 0 AMB m:49571 6.00 (# 49571.1 Single Ambig [MG1 64 MG1 119] )
&rst
ixpk= 49571, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 991, 992, 993,1857,1858,1859,
&end
#
# 0 AMB m:49579a 0 AMB m:49579b 3.90 (# 49579.1 Double Ambig [HN 2 HN 74] [QB 2 QB 74] )
&rst
ixpk= 49579, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 21,1135,
igr2= 25, 26,1139,1140,
&end
#
# 0 AMB m:49583 11 GLN HA 5.40 (# 49583.1 Single Ambig [HN 12 HN 10] )
&rst
ixpk= 49583, nxpk= 0, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 189, 162,
&end
#
# 131 LEU HN 131 LEU HG 3.80 (# 49587.1 Unique )
&rst
ixpk= 49587, nxpk= 0, iat=2027,2034, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 0 AMB m:49590 10 ALA HA 4.00 (# 49590.1 Single Ambig [HN 10 HN 41] )
&rst
ixpk= 49590, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 162, 651,
&end
#
# 12 LYS HN 12 LYS QB 4.50 (# 49594.1 Unique; orig = 3.10 )
&rst
ixpk= 49594, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 193, 194,
&end
#
# 0 AMB m:49597a 0 AMB m:49597b 4.10 (# 49597.1 Double Ambig [HN 115 HN 40 HN 89] [MD1 90 MD1 16] )
&rst
ixpk= 49597, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1=1807, 627,1392,
igr2=1416,1417,1418, 265, 266, 267,
&end
#
# 0 AMB m:49602a 0 AMB m:49602b 6.00 (# 49602.1 Double Ambig [HN 40 HN 43] [MD1 16 MD2 38] )
&rst
ixpk= 49602, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 627, 673,
igr2= 265, 266, 267, 605, 606, 607,
&end
#
# 107 HIS HN 0 AMB m:49606 6.00 (# 49606.1 Single Ambig [MG1 138 MG1 103] )
&rst
ixpk= 49606, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=2156,2157,2158,1618,1619,1620,
&end
#
# 0 AMB m:49610a 0 AMB m:49610b 6.00 (# 49610.1 Double Ambig [HN 55 HN 89] [MG2 129 MD2 90 MD2 127] )
&rst
ixpk= 49610, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 838,1392,
igr2=2010,2011,2012,1420,1421,1422,1987,1988,1989,
&end
#
# 87 VAL HN 84 ALA HA 3.40 (# 49615.1 Unique )
&rst
ixpk= 49615, nxpk= 0, iat=1357,1305, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 63 GLU HN 0 AMB m:49618 5.60 (# 49618.1 Single Ambig [MG2 64 MG2 123] )
&rst
ixpk= 49618, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr2= 995, 996, 997,1921,1922,1923,
&end
#
# 0 AMB m:49622a 0 AMB m:49622b 5.20 (# 49622.1 Double Ambig [HN 123 HN 114] [MD1 67 MD1 90] )
&rst
ixpk= 49622, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1=1911,1783,
igr2=1036,1037,1038,1416,1417,1418,
&end
#
# 104 GLY HN 103 VAL MG1 4.30 (# 49626.1 Unique )
&rst
ixpk= 49626, nxpk= 0, iat=1628, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1618,1619,1620,
&end
#
# 104 GLY HN 103 VAL MG2 6.00 (# 49632.1 Unique )
&rst
ixpk= 49632, nxpk= 0, iat=1628, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1622,1623,1624,
&end
#
# 0 AMB m:49635a 0 AMB m:49635b 6.00 (# 49635.1 Double Ambig [HN 35 HN 13] [MD 34 MD 108] )
&rst
ixpk= 49635, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 547, 211,
igr2= 541, 542, 543,1694,1695,1696,
&end
#
# 0 AMB m:49655a 0 AMB m:49655b 6.00 (# 49655.1 Double Ambig [HN 94 HN 135] [MD1 110 MD1 139] )
&rst
ixpk= 49655, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1466,2092,
igr2=1728,1729,1730,2175,2176,2177,
&end
#
# 140 GLN HN 0 AMB m:49660 6.00 (# 49660.1 Single Ambig [MD1 139 MD1 110] )
&rst
ixpk= 49660, nxpk= 0, iat=2185, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=2175,2176,2177,1728,1729,1730,
&end
#
# 0 AMB m:49664a 0 AMB m:49664b 5.30 (# 49664.1 Double Ambig [HN 140 HN 51] [MD2 142 MD2 139 MD1 141 MD1 35] )
&rst
ixpk= 49664, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr1=2185, 785,
igr2=2234,2235,2236,2179,2180,2181,2211,2212,2213, 556,
557, 558,
&end
#
# 61 GLN HN 0 AMB m:49670 5.60 (# 49670.1 Single Ambig [MD1 36 MG1 64 MD2 127] )
&rst
ixpk= 49670, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
igr2= 575, 576, 577, 991, 992, 993,1987,1988,1989,
&end
#
# 51 GLN HN 0 AMB m:49678 5.40 (# 49678.1 Single Ambig [MB 52 MB 47] )
&rst
ixpk= 49678, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2= 806, 807, 808, 728, 729, 730,
&end
#
# 137 GLN HN 0 AMB m:49682 6.00 (# 49682.1 Single Ambig [MB 49 MB 134] )
&rst
ixpk= 49682, nxpk= 0, iat=2133, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 760, 761, 762,2086,2087,2088,
&end
#
# 139 LEU HN 0 AMB m:49689 5.40 (# 49689.1 Single Ambig [QB 140 QB 137 QB 136] )
&rst
ixpk= 49689, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2=2189,2190,2137,2138,2120,2121,
&end
#
# 135 ARG HN 110 LEU MD2 5.20 (# 49694.1 Unique )
&rst
ixpk= 49694, nxpk= 0, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1732,1733,1734,
&end
#
# 0 AMB m:49697a 0 AMB m:49697b 4.80 (# 49697.1 Double Ambig [HN 48 HN 62] [QB 48 QB 62] )
&rst
ixpk= 49697, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 734, 948,
igr2= 738, 739, 952, 953,
&end
#
# 62 LYS HN 62 LYS QB 2.70 (# 49704.1 Unique )
&rst
ixpk= 49704, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2= 952, 953,
&end
#
# 0 AMB m:49708a 0 AMB m:49708b 4.80 (# 49708.1 Double Ambig [HN 113 HN 98 HN 53] [HA 110 HA 131 HA 94 HA 50 HA 51] )
&rst
ixpk= 49708, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1=1764,1537, 812,
igr2=1721,2029,1468, 768, 787,
&end
#
# 62 LYS HN 61 GLN QB 3.10 (# 49715.1 Unique )
&rst
ixpk= 49715, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 935, 936,
&end
#
# 53 LEU HN 53 LEU HG 4.50 (# 49724.1 Unique; orig = 3.40 )
&rst
ixpk= 49724, nxpk= 0, iat= 812, 819, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 SER HN 39 VAL MG1 5.60 (# 49730.1 Unique )
&rst
ixpk= 49730, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 617, 618, 619,
&end
#
# 0 AMB m:49733a 0 AMB m:49733b 5.80 (# 49733.1 Double Ambig [HN 36 HN 50] [MB 17 MB 47 MB 52] )
&rst
ixpk= 49733, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.39, r4= 9.89,
igr1= 566, 766,
igr2= 279, 280, 281, 728, 729, 730, 806, 807, 808,
&end
#
# 66 SER HN 0 AMB m:49741 6.00 (# 49741.1 Single Ambig [MD1 24 MG1 64 MG1 119] )
&rst
ixpk= 49741, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 394, 395, 396, 991, 992, 993,1857,1858,1859,
&end
#
# 71 GLY HN 70 ARG HA 5.20 (# 49759.1 Unique )
&rst
ixpk= 49759, nxpk= 0, iat=1096,1074, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 126 ASN QD2 126 ASN QB 4.70 (# 49768.1 Unique )
&rst
ixpk= 49768, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1969,1970,
igr2=1964,1965,
&end
#
# 126 ASN QD2 126 ASN QB 3.50 (# 49771.1 Unique )
&rst
ixpk= 49771, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1969,1970,
igr2=1964,1965,
&end
#
# 81 THR HN 29 ILE MG2 5.80 (# 49784.1 Unique )
&rst
ixpk= 49784, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 462, 463, 464,
&end
#
# 0 AMB m:49787 13 VAL MG1 5.40 (# 49787.1 Single Ambig [HN 10 HN 12] )
&rst
ixpk= 49787, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 162, 189,
igr2= 217, 218, 219,
&end
#
# 0 AMB m:49794 10 ALA MB 6.00 (# 49794.1 Single Ambig [HN 13 HN 46] )
&rst
ixpk= 49794, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 211, 714,
igr2= 166, 167, 168,
&end
#
# 126 ASN HN 0 AMB m:49801 6.00 (# 49801.1 Single Ambig [MD2 127 MG2 129] )
&rst
ixpk= 49801, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1987,1988,1989,2010,2011,2012,
&end
#
# 0 AMB m:49808 121 ALA MB 5.60 (# 49808.1 Single Ambig [HN 123 HN 114] )
&rst
ixpk= 49808, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1911,1783,
igr2=1881,1882,1883,
&end
#
# 0 AMB m:49815a 0 AMB m:49815b 6.00 (# 49815.1 Double Ambig [HN 47 HN 108 HN 34 HN 121] [MG1 138 MG1 64 MG1 119] )
&rst
ixpk= 49815, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 724,1681, 528,1877,
igr2=2156,2157,2158, 991, 992, 993,1857,1858,1859,
&end
#
# 110 LEU HN 46 ALA MB 6.00 (# 49821.1 Unique )
&rst
ixpk= 49821, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 718, 719, 720,
&end
#
# 33 HIS HN 0 AMB m:49824 6.00 (# 49824.1 Single Ambig [MG1 64 MG1 119 MD1 36] )
&rst
ixpk= 49824, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 991, 992, 993,1857,1858,1859, 575, 576, 577,
&end
#
# 94 GLU HN 110 LEU MD1 6.00 (# 49832.1 Unique )
&rst
ixpk= 49832, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1728,1729,1730,
&end
#
# 88 ILE HN 87 VAL HA 4.80 (# 49835.1 Unique )
&rst
ixpk= 49835, nxpk= 0, iat=1373,1359, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 0 AMB m:49838 49 ALA MB 6.00 (# 49838.1 Single Ambig [HN 51 HN 140] )
&rst
ixpk= 49838, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 785,2185,
igr2= 760, 761, 762,
&end
#
# 68 ILE HN 0 AMB m:49845 6.00 (# 49845.1 Single Ambig [MG2 119 MG2 123] )
&rst
ixpk= 49845, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1861,1862,1863,1921,1922,1923,
&end
#
# 61 GLN HN 64 VAL MG2 5.40 (# 49849.1 Unique )
&rst
ixpk= 49849, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 995, 996, 997,
&end
#
# 53 LEU HN 137 GLN QB 5.20 (# 49852.1 Unique )
&rst
ixpk= 49852, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=2137,2138,
&end
#
# 52 ALA HN 0 AMB m:49855 6.00 (# 49855.1 Single Ambig [MD2 53 MD1 141] )
&rst
ixpk= 49855, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 825, 826, 827,2211,2212,2213,
&end
#
# 0 AMB m:49859a 0 AMB m:49859b 6.00 (# 49859.1 Double Ambig [HN 45 HN 119] [MG2 138 MD2 67 MD1 141 MD2 142] )
&rst
ixpk= 49859, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 695,1851,
igr2=2160,2161,2162,1040,1041,1042,2211,2212,2213,2234,
2235,2236,
&end
#
# 39 VAL HN 0 AMB m:49865 6.00 (# 49865.1 Single Ambig [MD1 38 MD2 35] )
&rst
ixpk= 49865, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 601, 602, 603, 560, 561, 562,
&end
#
# 37 GLY HN 0 AMB m:49869 6.00 (# 49869.1 Single Ambig [MG2 34 MG2 60] )
&rst
ixpk= 49869, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 534, 535, 536, 918, 919, 920,
&end
#
# 20 GLU HN 0 AMB m:49876 6.00 (# 49876.1 Single Ambig [MD2 16 MD1 36 MD1 24] )
&rst
ixpk= 49876, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 269, 270, 271, 575, 576, 577, 394, 395, 396,
&end
#
# 14 LEU HN 0 AMB m:49881 6.00 (# 49881.1 Single Ambig [MD 108 MD 34] )
&rst
ixpk= 49881, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1694,1695,1696, 541, 542, 543,
&end
#
# 85 LYS HN 0 AMB m:49888 6.00 (# 49888.1 Single Ambig [QB 85 QB 86] )
&rst
ixpk= 49888, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1317,1318,1339,1340,
&end
#
# 87 VAL HN 86 LYS QB 3.80 (# 49892.1 Unique )
&rst
ixpk= 49892, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1339,1340,
&end
#
# 55 LEU HN 0 AMB m:49895 6.00 (# 49895.1 Single Ambig [MD2 50 MG1 129 MD2 124] )
&rst
ixpk= 49895, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 779, 780, 781,2006,2007,2008,1940,1941,1942,
&end
#
# 17 ALA HN 0 AMB m:49900 6.00 (# 49900.1 Single Ambig [QB 20 QB 19] )
&rst
ixpk= 49900, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 321, 322, 306, 307,
&end
#
# 0 AMB m:49905a 0 AMB m:49905b 5.80 (# 49905.1 Double Ambig [HN 34 HN 47 HN 108] [MD2 112 MD2 38 MD2 36] )
&rst
ixpk= 49905, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.05, r4=10.55,
igr1= 528, 724,1681,
igr2=1758,1759,1760, 605, 606, 607, 579, 580, 581,
&end
#
# 52 ALA HN 0 AMB m:49914 6.00 (# 49914.1 Single Ambig [MD1 53 MD2 141] )
&rst
ixpk= 49914, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 821, 822, 823,2215,2216,2217,
&end
#
# 53 LEU HN 0 AMB m:49918 6.00 (# 49918.1 Single Ambig [MG2 129 MG1 129 MD2 50] )
&rst
ixpk= 49918, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2=2010,2011,2012,2006,2007,2008, 779, 780, 781,
&end
#
# 90 LEU HN 0 AMB m:49929 6.00 (# 49929.1 Single Ambig [QB 115 QB 86] )
&rst
ixpk= 49929, nxpk= 0, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1811,1812,1339,1340,
&end
#
# 112 LEU HN 0 AMB m:49933 6.00 (# 49933.1 Single Ambig [QG1 113 QB 115] )
&rst
ixpk= 49933, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2=1774,1775,1811,1812,
&end
#
# 136 GLN QE2 136 GLN QB 4.90 (# 49937.1 Unique )
&rst
ixpk= 49937, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2128,2129,
igr2=2120,2121,
&end
#
# 27 ASN QD2 22 LEU MD2 6.00 (# 49947.1 Unique )
&rst
ixpk= 49947, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 437, 438,
igr2= 355, 356, 357,
&end
#
# 49 ALA HN 50 LEU MD2 6.00 (# 49953.1 Unique )
&rst
ixpk= 49953, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 779, 780, 781,
&end
#
# 2 MET QB 2 MET ME 5.20 (# 49971.1 Unique )
&rst
ixpk= 49971, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 25, 26,
igr2= 32, 33, 34,
&end
#
# 2 MET ME 2 MET QB 4.50 (# 49979.1 Unique; orig = 3.50 )
&rst
ixpk= 49979, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 32, 33, 34,
igr2= 25, 26,
&end
#
# 0 AMB m:50016a 0 AMB m:50016b 2.20 (# 50016.1 Double Ambig [HA 10 HA 84] [MG1 13 MG2 87] )
&rst
ixpk= 50016, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1= 164,1305,
igr2= 217, 218, 219,1367,1368,1369,
&end
#
# 0 AMB m:50020a 0 AMB m:50020b 2.50 (# 50020.1 Double Ambig [HA 10 HA 84] [MG2 105 MG2 31] )
&rst
ixpk= 50020, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 164,1305,
igr2=1641,1642,1643, 488, 489, 490,
&end
#
# 0 AMB m:50024a 0 AMB m:50024b 3.80 (# 50024.1 Double Ambig [HA 10 HA 84] [MD 108 MD 34] )
&rst
ixpk= 50024, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 164,1305,
igr2=1694,1695,1696, 541, 542, 543,
&end
#
# 0 AMB m:50031a 0 AMB m:50031b 4.50 (# 50031.1 Double Ambig [MB 10 MB 84] [MG1 13 MG2 87] )
&rst
ixpk= 50031, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 166, 167, 168,1307,1308,1309,
igr2= 217, 218, 219,1367,1368,1369,
&end
#
# 11 GLN QB 11 GLN QB 2.90 (# 50042.1 Unique )
#This appears to be self-referential: ignoring
#
# 84 ALA MB 87 VAL HB 4.30 (# 50059.1 Unique )
&rst
ixpk= 50059, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1307,1308,1309,
&end
#
# 0 AMB m:50062a 0 AMB m:50062b 3.60 (# 50062.1 Double Ambig [MB 84 MB 10] [QA 30 QA 104] )
&rst
ixpk= 50062, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1307,1308,1309, 166, 167, 168,
igr2= 477, 478,1630,1631,
&end
#
# 13 VAL MG2 37 GLY QA 6.00 (# 50074.1 Unique; orig = 4.30 )
&rst
ixpk= 50074, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 221, 222, 223,
igr2= 587, 588,
&end
#
# 13 VAL MG2 34 ILE HA 4.00 (# 50079.1 Unique )
&rst
ixpk= 50079, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 221, 222, 223,
&end
#
# 13 VAL MG2 38 LEU QB 5.60 (# 50088.1 Unique )
&rst
ixpk= 50088, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 221, 222, 223,
igr2= 596, 597,
&end
#
# 13 VAL MG2 0 AMB m:50095 3.00 (# 50095.1 Single Ambig [MD 108 MD 34] )
&rst
ixpk= 50095, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 221, 222, 223,
igr2=1694,1695,1696, 541, 542, 543,
&end
#
# 13 VAL MG2 34 ILE MG2 2.60 (# 50099.1 Unique )
&rst
ixpk= 50099, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 221, 222, 223,
igr2= 534, 535, 536,
&end
#
# 0 AMB m:50105a 0 AMB m:50105b 5.10 (# 50105.1 Double Ambig [MG1 13 MG2 87] [MG2 34 MG2 108] )
&rst
ixpk= 50105, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77,
igr1= 217, 218, 219,1367,1368,1369,
igr2= 534, 535, 536,1687,1688,1689,
&end
#
# 0 AMB m:50109a 0 AMB m:50109b 2.90 (# 50109.1 Double Ambig [MG1 13 MG2 87] [HA 38 HA 112] )
&rst
ixpk= 50109, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 217, 218, 219,1367,1368,1369,
igr2= 594,1747,
&end
#
# 14 LEU MD1 88 ILE MD 3.60 (# 50139.1 Unique )
&rst
ixpk= 50139, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 236, 237, 238,
igr2=1386,1387,1388,
&end
#
# 14 LEU MD2 0 AMB m:50167 2.80 (# 50167.1 Single Ambig [MD 108 MD 34] )
&rst
ixpk= 50167, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 240, 241, 242,
igr2=1694,1695,1696, 541, 542, 543,
&end
#
# 15 ALA MB 12 LYS HA 3.10 (# 50180.1 Unique )
&rst
ixpk= 50180, nxpk= 0, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 250, 251, 252,
&end
#
# 15 ALA MB 0 AMB m:50183 5.00 (# 50183.1 Single Ambig [MD2 16 MD1 16] )
&rst
ixpk= 50183, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 250, 251, 252,
igr2= 269, 270, 271, 265, 266, 267,
&end
#
# 15 ALA MB 12 LYS QB 4.50 (# 50190.1 Unique )
&rst
ixpk= 50190, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 250, 251, 252,
igr2= 193, 194,
&end
#
# 0 AMB m:50206a 0 AMB m:50206b 3.60 (# 50206.1 Double Ambig [MD1 90 MD1 16] [MG2 87 MG1 13] )
&rst
ixpk= 50206, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1416,1417,1418, 265, 266, 267,
igr2=1367,1368,1369, 217, 218, 219,
&end
#
# 0 AMB m:50246a 0 AMB m:50246b 3.80 (# 50246.1 Double Ambig [MB 95 MB 21] [QB 100 QB 26] )
&rst
ixpk= 50246, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1485,1486,1487, 336, 337, 338,
igr2=1567,1568, 415, 416,
&end
#
# 21 ALA MB 18 GLN QB 5.50 (# 50263.1 Unique )
&rst
ixpk= 50263, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 336, 337, 338,
igr2= 289, 290,
&end
#
# 22 LEU MD1 18 GLN QB 5.60 (# 50288.1 Unique )
&rst
ixpk= 50288, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 351, 352, 353,
igr2= 289, 290,
&end
#
# 0 AMB m:50292a 0 AMB m:50292b 2.80 (# 50292.1 Double Ambig [MD2 38 MD2 112] [MB 46 MB 120] )
&rst
ixpk= 50292, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 605, 606, 607,1758,1759,1760,
igr2= 718, 719, 720,1871,1872,1873,
&end
#
# 26 HIS QB 21 ALA MB 3.40 (# 50296.1 Unique )
&rst
ixpk= 50296, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 415, 416,
igr2= 336, 337, 338,
&end
#
# 29 ILE MG2 34 ILE HA 5.40 (# 50318.1 Unique )
&rst
ixpk= 50318, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 462, 463, 464,
&end
#
# 29 ILE MG2 29 ILE MD 2.20 (# 50330.1 Unique )
&rst
ixpk= 50330, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1= 462, 463, 464,
igr2= 469, 470, 471,
&end
#
# 0 AMB m:50344a 0 AMB m:50344b 2.70 (# 50344.1 Double Ambig [MG2 105 MG2 31] [HA 105 HA 31] )
&rst
ixpk= 50344, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1=1641,1642,1643, 488, 489, 490,
igr2=1637, 484,
&end
#
# 0 AMB m:50352a 0 AMB m:50352b 3.90 (# 50352.1 Double Ambig [MG2 31 MG2 105] [MG1 87 MG2 13] )
&rst
ixpk= 50352, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 488, 489, 490,1641,1642,1643,
igr2=1363,1364,1365, 221, 222, 223,
&end
#
# 0 AMB m:50363a 0 AMB m:50363b 3.60 (# 50363.1 Double Ambig [MG2 105 MG2 31] [MD2 38 MD2 112] )
&rst
ixpk= 50363, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1641,1642,1643, 488, 489, 490,
igr2= 605, 606, 607,1758,1759,1760,
&end
#
# 31 THR MG2 87 VAL HB 4.20 (# 50367.1 Unique )
&rst
ixpk= 50367, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 488, 489, 490,
&end
#
# 105 THR MG2 38 LEU MD1 5.60 (# 50374.1 Unique )
&rst
ixpk= 50374, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
igr1=1641,1642,1643,
igr2= 601, 602, 603,
&end
#
# 0 AMB m:50377a 0 AMB m:50377b 3.30 (# 50377.1 Double Ambig [MG2 105 MG2 31] [QB 9 QB 83] )
&rst
ixpk= 50377, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1641,1642,1643, 488, 489, 490,
igr2= 142, 143,1283,1284,
&end
#
# 0 AMB m:50382a 0 AMB m:50382b 5.80 (# 50382.1 Double Ambig [MG2 105 MG2 31] [HB 108 HB 34] )
&rst
ixpk= 50382, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr1=1641,1642,1643, 488, 489, 490,
igr2=1685, 532,
&end
#
# 31 THR MG2 115 GLU QG 4.50 (# 50386.1 Unique )
&rst
ixpk= 50386, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 488, 489, 490,
igr2=1814,1815,
&end
#
# 108 ILE HB 38 LEU MD1 3.30 (# 50400.1 Unique )
&rst
ixpk= 50400, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 601, 602, 603,
&end
#
# 108 ILE HB 108 ILE QG1 3.50 (# 50403.1 Unique )
&rst
ixpk= 50403, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1691,1692,
&end
#
# 0 AMB m:50407a 0 AMB m:50407b 2.30 (# 50407.1 Double Ambig [MG2 108 MG2 34] [HB 108 HB 34] )
&rst
ixpk= 50407, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1687,1688,1689, 534, 535, 536,
igr2=1685, 532,
&end
#
# 0 AMB m:50417a 0 AMB m:50417b 2.20 (# 50417.1 Double Ambig [MD 108 MD 34] [MB 10 MB 84] )
&rst
ixpk= 50417, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1694,1695,1696, 541, 542, 543,
igr2= 166, 167, 168,1307,1308,1309,
&end
#
# 0 AMB m:50421a 0 AMB m:50421b 4.70 (# 50421.1 Double Ambig [MD 108 MD 34] [MG2 105 MG2 31] )
&rst
ixpk= 50421, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=1694,1695,1696, 541, 542, 543,
igr2=1641,1642,1643, 488, 489, 490,
&end
#
# 0 AMB m:50425 13 VAL MG1 3.10 (# 50425.1 Single Ambig [MD 34 MD 108] )
&rst
ixpk= 50425, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 541, 542, 543,1694,1695,1696,
igr2= 217, 218, 219,
&end
#
# 108 ILE MD 108 ILE HB 3.10 (# 50429.1 Unique )
&rst
ixpk= 50429, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1=1694,1695,1696,
&end
#
# 34 ILE MD 88 ILE MD 2.90 (# 50442.1 Unique )
&rst
ixpk= 50442, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 541, 542, 543,
igr2=1386,1387,1388,
&end
#
# 35 LEU QB 108 ILE MG2 6.00 (# 50445.1 Unique )
&rst
ixpk= 50445, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 551, 552,
igr2=1687,1688,1689,
&end
#
# 35 LEU MD2 60 ILE MG2 3.10 (# 50455.1 Unique )
&rst
ixpk= 50455, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 560, 561, 562,
igr2= 918, 919, 920,
&end
#
# 35 LEU MD1 35 LEU QB 3.10 (# 50458.1 Unique )
&rst
ixpk= 50458, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 556, 557, 558,
igr2= 551, 552,
&end
#
# 39 VAL MG2 57 SER HA 4.00 (# 50465.1 Unique )
&rst
ixpk= 50465, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 621, 622, 623,
&end
#
# 39 VAL MG2 50 LEU MD1 3.50 (# 50471.1 Unique; orig = 2.60 )
&rst
ixpk= 50471, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 621, 622, 623,
igr2= 775, 776, 777,
&end
#
# 39 VAL MG2 60 ILE MG2 2.50 (# 50474.1 Unique )
&rst
ixpk= 50474, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1= 621, 622, 623,
igr2= 918, 919, 920,
&end
#
# 39 VAL MG2 60 ILE MD 3.50 (# 50477.1 Unique; orig = 2.70 )
&rst
ixpk= 50477, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 621, 622, 623,
igr2= 925, 926, 927,
&end
#
# 39 VAL MG2 61 GLN QB 4.70 (# 50483.1 Unique )
&rst
ixpk= 50483, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 621, 622, 623,
igr2= 935, 936,
&end
#
# 39 VAL MG2 40 ARG QB 6.00 (# 50492.1 Unique )
&rst
ixpk= 50492, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 621, 622, 623,
igr2= 631, 632,
&end
#
# 39 VAL MG2 47 ALA MB 5.80 (# 50496.1 Unique )
&rst
ixpk= 50496, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr1= 621, 622, 623,
igr2= 728, 729, 730,
&end
#
# 39 VAL MG1 61 GLN QB 6.00 (# 50505.1 Unique; orig = 5.20 )
&rst
ixpk= 50505, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 617, 618, 619,
igr2= 935, 936,
&end
#
# 39 VAL MG1 60 ILE MG2 5.80 (# 50515.1 Unique )
&rst
ixpk= 50515, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr1= 617, 618, 619,
igr2= 918, 919, 920,
&end
#
# 45 ILE MG2 45 ILE MD 2.70 (# 50530.1 Unique )
&rst
ixpk= 50530, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 701, 702, 703,
igr2= 708, 709, 710,
&end
#
# 45 ILE MG2 106 GLU QG 6.00 (# 50533.1 Unique )
&rst
ixpk= 50533, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 701, 702, 703,
igr2=1656,1657,
&end
#
# 45 ILE MG2 141 LEU HG 3.10 (# 50552.1 Unique )
&rst
ixpk= 50552, nxpk= 0, iat= -1,2209, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 701, 702, 703,
&end
#
# 45 ILE MD 141 LEU QB 5.20 (# 50561.1 Unique )
&rst
ixpk= 50561, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 708, 709, 710,
igr2=2206,2207,
&end
#
# 45 ILE MD 48 LYS QB 5.40 (# 50569.1 Unique )
&rst
ixpk= 50569, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 708, 709, 710,
igr2= 738, 739,
&end
#
# 0 AMB m:50573a 0 AMB m:50573b 3.60 (# 50573.1 Double Ambig [MB 120 MB 46] [HB 31 HB 105] )
&rst
ixpk= 50573, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1871,1872,1873, 718, 719, 720,
igr2= 486,1639,
&end
#
# 52 ALA MB 53 LEU MD2 4.00 (# 50586.1 Unique )
&rst
ixpk= 50586, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 806, 807, 808,
igr2= 825, 826, 827,
&end
#
# 52 ALA MB 0 AMB m:50589 3.80 (# 50589.1 Single Ambig [QB 137 QB 51] )
&rst
ixpk= 50589, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 806, 807, 808,
igr2=2137,2138, 789, 790,
&end
#
# 49 ALA MB 138 VAL MG1 3.60 (# 50604.1 Unique )
&rst
ixpk= 50604, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 760, 761, 762,
igr2=2156,2157,2158,
&end
#
# 49 ALA MB 138 VAL MG2 2.30 (# 50607.1 Unique )
&rst
ixpk= 50607, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1= 760, 761, 762,
igr2=2160,2161,2162,
&end
#
# 49 ALA MB 50 LEU HG 4.00 (# 50610.1 Unique )
&rst
ixpk= 50610, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 760, 761, 762,
&end
#
# 0 AMB m:50621a 0 AMB m:50621b 3.40 (# 50621.1 Double Ambig [QB 50 QB 110] [MD2 50 MD2 110] )
&rst
ixpk= 50621, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 770, 771,1723,1724,
igr2= 779, 780, 781,1732,1733,1734,
&end
#
# 139 LEU QB 139 LEU HG 3.50 (# 50630.1 Unique )
&rst
ixpk= 50630, nxpk= 0, iat= -1,2173, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2170,2171,
&end
#
# 141 LEU MD1 45 ILE MD 3.50 (# 50637.1 Unique; orig = 2.90 )
&rst
ixpk= 50637, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2211,2212,2213,
igr2= 708, 709, 710,
&end
#
# 138 VAL MG2 137 GLN QB 3.70 (# 50665.1 Unique )
&rst
ixpk= 50665, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=2160,2161,2162,
igr2=2137,2138,
&end
#
# 60 ILE MD 0 AMB m:50709 3.50 (# 50709.1 Single Ambig [HA 57 QB 57] )
&rst
ixpk= 50709, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 925, 926, 927,
igr2= 866, 868, 869,
&end
#
# 60 ILE MG2 61 GLN HA 4.10 (# 50723.1 Unique )
&rst
ixpk= 50723, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 918, 919, 920,
&end
#
# 60 ILE MG2 57 SER HA 6.00 (# 50726.1 Unique )
&rst
ixpk= 50726, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 918, 919, 920,
&end
#
# 0 AMB m:50746a 0 AMB m:50746b 2.50 (# 50746.1 Double Ambig [HA 87 HA 13] [MG1 87 MG2 13] )
&rst
ixpk= 50746, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1359, 213,
igr2=1363,1364,1365, 221, 222, 223,
&end
#
# 0 AMB m:50750a 0 AMB m:50750b 2.80 (# 50750.1 Double Ambig [HA 87 HA 13] [MD1 90 MD1 16] )
&rst
ixpk= 50750, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1359, 213,
igr2=1416,1417,1418, 265, 266, 267,
&end
#
# 67 LEU QB 67 LEU HG 3.90 (# 50758.1 Unique )
&rst
ixpk= 50758, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1031,1032,
&end
#
# 67 LEU MD2 67 LEU QB 3.30 (# 50766.1 Unique )
&rst
ixpk= 50766, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=1040,1041,1042,
igr2=1031,1032,
&end
#
# 68 ILE MD 68 ILE MG2 2.20 (# 50774.1 Unique )
&rst
ixpk= 50774, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1=1059,1060,1061,
igr2=1052,1053,1054,
&end
#
# 68 ILE MD 36 LEU MD2 4.50 (# 50777.1 Unique; orig = 3.50 )
&rst
ixpk= 50777, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1059,1060,1061,
igr2= 579, 580, 581,
&end
#
# 113 ILE MG2 113 ILE HB 2.50 (# 50795.1 Unique )
&rst
ixpk= 50795, nxpk= 0, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr1=1770,1771,1772,
&end
#
# 74 MET ME 74 MET QB 4.00 (# 50806.1 Unique )
&rst
ixpk= 50806, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1146,1147,1148,
igr2=1139,1140,
&end
#
# 74 MET ME 72 GLN QB 4.50 (# 50812.1 Unique )
&rst
ixpk= 50812, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1146,1147,1148,
igr2=1107,1108,
&end
#
# 74 MET ME 72 GLN QB 4.50 (# 50816.1 Unique; orig = 3.80 )
&rst
ixpk= 50816, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1146,1147,1148,
igr2=1107,1108,
&end
#
# 77 THR MG2 76 GLN QB 6.00 (# 50825.1 Unique; orig = 4.30 )
&rst
ixpk= 50825, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1186,1187,1188,
igr2=1167,1168,
&end
#
# 81 THR MG2 80 TYR HA 6.00 (# 50850.1 Unique )
&rst
ixpk= 50850, nxpk= 0, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1257,1258,1259,
&end
#
# 81 THR MG2 82 PRO QB 6.00 (# 50857.1 Unique )
&rst
ixpk= 50857, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1257,1258,1259,
igr2=1272,1273,
&end
#
# 81 THR MG2 84 ALA MB 4.30 (# 50863.1 Unique )
&rst
ixpk= 50863, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1257,1258,1259,
igr2=1307,1308,1309,
&end
#
# 82 PRO QB 82 PRO QB 3.40 (# 50870.1 Unique )
#This appears to be self-referential: ignoring
#
# 0 AMB m:50876a 0 AMB m:50876b 2.50 (# 50876.1 Double Ambig [HB 13 HB 87] [MG2 13 MG1 87] )
&rst
ixpk= 50876, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 215,1361,
igr2= 221, 222, 223,1363,1364,1365,
&end
#
# 0 AMB m:50880a 0 AMB m:50880b 4.50 (# 50880.1 Double Ambig [HB 87 HB 13] [MB 84 MB 10] )
&rst
ixpk= 50880, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1361, 215,
igr2=1307,1308,1309, 166, 167, 168,
&end
#
# 88 ILE MG2 88 ILE MD 2.30 (# 50905.1 Unique )
&rst
ixpk= 50905, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1=1379,1380,1381,
igr2=1386,1387,1388,
&end
#
# 88 ILE MD 87 VAL MG1 3.30 (# 50914.1 Unique )
&rst
ixpk= 50914, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1386,1387,1388,
igr2=1363,1364,1365,
&end
#
# 92 MET ME 103 VAL MG2 3.40 (# 50927.1 Unique )
&rst
ixpk= 50927, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1448,1449,1450,
igr2=1622,1623,1624,
&end
#
# 92 MET ME 89 GLU QG 4.50 (# 50933.1 Unique; orig = 3.60 )
&rst
ixpk= 50933, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1448,1449,1450,
igr2=1399,1400,
&end
#
# 103 VAL MG2 0 AMB m:50958 3.60 (# 50958.1 Single Ambig [HA 103 QB 91] )
&rst
ixpk= 50958, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1622,1623,1624,
igr2=1614,1430,1431,
&end
#
# 103 VAL MG2 95 ALA MB 2.60 (# 50965.1 Unique )
&rst
ixpk= 50965, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1622,1623,1624,
igr2=1485,1486,1487,
&end
#
# 103 VAL MG2 4 GLY QA 4.50 (# 50976.1 Unique; orig = 4.00 )
&rst
ixpk= 50976, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1622,1623,1624,
igr2= 60, 61,
&end
#
# 109 LEU MD1 46 ALA MB 4.60 (# 51004.1 Unique )
&rst
ixpk= 51004, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1709,1710,1711,
igr2= 718, 719, 720,
&end
#
# 113 ILE MD 129 VAL MG1 5.00 (# 51024.1 Unique )
&rst
ixpk= 51024, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1777,1778,1779,
igr2=2006,2007,2008,
&end
#
# 119 VAL HA 119 VAL HB 3.30 (# 51034.1 Unique )
&rst
ixpk= 51034, nxpk= 0, iat=1853,1855, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 119 VAL MG2 122 ARG QB 6.00 (# 51043.1 Unique )
&rst
ixpk= 51043, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1861,1862,1863,
igr2=1891,1892,
&end
#
# 119 VAL MG2 67 LEU HG 6.00 (# 51047.1 Unique )
&rst
ixpk= 51047, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1861,1862,1863,
&end
#
# 119 VAL MG2 68 ILE MG2 3.00 (# 51050.1 Unique )
&rst
ixpk= 51050, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1861,1862,1863,
igr2=1052,1053,1054,
&end
#
# 119 VAL MG2 68 ILE MD 4.80 (# 51053.1 Unique )
&rst
ixpk= 51053, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1861,1862,1863,
igr2=1059,1060,1061,
&end
#
# 46 ALA HA 49 ALA MB 2.50 (# 51056.1 Unique )
&rst
ixpk= 51056, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 760, 761, 762,
&end
#
# 123 VAL MG1 63 GLU QB 2.60 (# 51069.1 Unique )
&rst
ixpk= 51069, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1=1917,1918,1919,
igr2= 974, 975,
&end
#
# 123 VAL MG2 63 GLU QB 2.70 (# 51080.1 Unique )
&rst
ixpk= 51080, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1921,1922,1923,
igr2= 974, 975,
&end
#
# 123 VAL MG2 122 ARG QB 4.10 (# 51087.1 Unique )
&rst
ixpk= 51087, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1921,1922,1923,
igr2=1891,1892,
&end
#
# 134 ALA MB 135 ARG QB 5.80 (# 51091.1 Unique )
&rst
ixpk= 51091, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=2086,2087,2088,
igr2=2096,2097,
&end
#
# 134 ALA MB 109 LEU MD2 3.50 (# 51095.1 Unique )
&rst
ixpk= 51095, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2086,2087,2088,
igr2=1713,1714,1715,
&end
#
# 15 ALA MB 12 LYS QB 4.50 (# 51119.1 Unique; orig = 3.10 )
&rst
ixpk= 51119, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 250, 251, 252,
igr2= 193, 194,
&end
#
# 16 LEU MD2 19 GLU QG 6.00 (# 51123.1 Unique; orig = 4.30 )
&rst
ixpk= 51123, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 269, 270, 271,
igr2= 309, 310,
&end
#
# 102 TYR QB 102 TYR HD 3.50 (# 51155.1 Unique )
&rst
ixpk= 51155, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1595,1596,
igr2=1599,1608,
&end
#
# 102 TYR QB 102 TYR HE 6.00 (# 51161.1 Unique )
&rst
ixpk= 51161, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1595,1596,
igr2=1601,1606,
&end
#
# 13 VAL MG1 38 LEU MD1 5.60 (# 51167.1 Unique )
&rst
ixpk= 51167, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
igr1= 217, 218, 219,
igr2= 601, 602, 603,
&end
#
# 0 AMB m:51173a 0 AMB m:51173b 2.20 (# 51173.1 Double Ambig [MG2 87 MG1 13] [MG1 87 MG2 13] )
&rst
ixpk= 51173, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1367,1368,1369, 217, 218, 219,
igr2=1363,1364,1365, 221, 222, 223,
&end
#
# 0 AMB m:51177a 0 AMB m:51177b 5.80 (# 51177.1 Double Ambig [MG2 87 MG1 13] [QA 111 QA 37] )
&rst
ixpk= 51177, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
igr1=1367,1368,1369, 217, 218, 219,
igr2=1740,1741, 587, 588,
&end
#
# 13 VAL MG1 17 ALA MB 6.00 (# 51182.1 Unique )
&rst
ixpk= 51182, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 217, 218, 219,
igr2= 279, 280, 281,
&end
#
# 87 VAL MG1 88 ILE HA 4.10 (# 51188.1 Unique )
&rst
ixpk= 51188, nxpk= 0, iat= -1,1375, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1363,1364,1365,
&end
#
# 0 AMB m:51195a 0 AMB m:51195b 2.20 (# 51195.1 Double Ambig [MG2 87 MG1 13] [MG2 31 MG2 105] )
&rst
ixpk= 51195, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1367,1368,1369, 217, 218, 219,
igr2= 488, 489, 490,1641,1642,1643,
&end
#
# 0 AMB m:51199a 0 AMB m:51199b 3.00 (# 51199.1 Double Ambig [QB 83 QB 9] [MG2 31 MG2 105] )
&rst
ixpk= 51199, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1283,1284, 142, 143,
igr2= 488, 489, 490,1641,1642,1643,
&end
#
# 2 MET QB 2 MET ME 4.30 (# 51204.1 Unique )
&rst
ixpk= 51204, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 25, 26,
igr2= 32, 33, 34,
&end
#
# 4 GLY QA 92 MET ME 3.80 (# 51211.1 Unique )
&rst
ixpk= 51211, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 60, 61,
igr2=1448,1449,1450,
&end
#
# 0 AMB m:51238a 0 AMB m:51238b 3.30 (# 51238.1 Double Ambig [HB 87 HB 13] [HA 84 HA 10] )
&rst
ixpk= 51238, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1361, 215,
igr2=1305, 164,
&end
#
# 108 ILE MD 10 ALA HA 3.90 (# 51242.1 Unique )
&rst
ixpk= 51242, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1694,1695,1696,
&end
#
# 137 GLN QB 134 ALA HA 4.90 (# 51245.1 Unique )
&rst
ixpk= 51245, nxpk= 0, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=2137,2138,
&end
#
# 137 GLN QB 0 AMB m:51249 4.10 (# 51249.1 Single Ambig [HA 49 HA 134] )
&rst
ixpk= 51249, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=2137,2138,
igr2= 758,2084,
&end
#
# 137 GLN QB 0 AMB m:51254 3.80 (# 51254.1 Single Ambig [HA 134 HA 49] )
&rst
ixpk= 51254, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=2137,2138,
igr2=2084, 758,
&end
#
# 34 ILE MG2 10 ALA MB 6.00 (# 51259.1 Unique )
&rst
ixpk= 51259, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 534, 535, 536,
igr2= 166, 167, 168,
&end
#
# 0 AMB m:51266a 0 AMB m:51266b 6.00 (# 51266.1 Double Ambig [MB 84 MB 10] [QB 83 QB 9] )
&rst
ixpk= 51266, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1307,1308,1309, 166, 167, 168,
igr2=1283,1284, 142, 143,
&end
#
# 97 LYS QB 97 LYS HA 3.80 (# 51278.1 Unique )
&rst
ixpk= 51278, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1519,1520,
&end
#
# 11 GLN QB 10 ALA MB 5.80 (# 51288.1 Unique )
&rst
ixpk= 51288, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 176, 177,
igr2= 166, 167, 168,
&end
#
# 12 LYS QB 12 LYS HA 4.10 (# 51296.1 Unique )
&rst
ixpk= 51296, nxpk= 0, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 193, 194,
&end
#
# 12 LYS QB 12 LYS QB 3.30 (# 51300.1 Unique )
#This appears to be self-referential: ignoring
#
# 16 LEU QB 13 VAL HA 3.90 (# 51319.1 Unique )
&rst
ixpk= 51319, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 260, 261,
&end
#
# 141 LEU HG 138 VAL HA 6.00 (# 51327.1 Unique; orig = 5.00 )
&rst
ixpk= 51327, nxpk= 0, iat=2209,2152, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 88 ILE MG2 14 LEU MD1 4.70 (# 51380.1 Unique )
&rst
ixpk= 51380, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1=1379,1380,1381,
igr2= 236, 237, 238,
&end
#
# 0 AMB m:51386a 0 AMB m:51386b 3.80 (# 51386.1 Double Ambig [QB 90 QB 16] [HA 87 HA 13] )
&rst
ixpk= 51386, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1411,1412, 260, 261,
igr2=1359, 213,
&end
#
# 127 LEU MD2 59 LYS QB 2.70 (# 51391.1 Unique )
&rst
ixpk= 51391, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1987,1988,1989,
igr2= 894, 895,
&end
#
# 18 GLN QB 18 GLN QB 2.20 (# 51407.1 Unique )
#This appears to be self-referential: ignoring
#
# 18 GLN QB 17 ALA MB 6.00 (# 51421.1 Unique )
&rst
ixpk= 51421, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 289, 290,
igr2= 279, 280, 281,
&end
#
# 18 GLN QB 19 GLU QG 5.80 (# 51429.1 Unique )
&rst
ixpk= 51429, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 289, 290,
igr2= 309, 310,
&end
#
# 16 LEU MD2 19 GLU QB 4.00 (# 51446.1 Unique )
&rst
ixpk= 51446, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 269, 270, 271,
igr2= 306, 307,
&end
#
# 78 ILE MD 21 ALA MB 2.80 (# 51454.1 Unique )
&rst
ixpk= 51454, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1207,1208,1209,
igr2= 336, 337, 338,
&end
#
# 22 LEU HA 22 LEU HG 4.10 (# 51472.1 Unique )
&rst
ixpk= 51472, nxpk= 0, iat= 344, 349, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 29 ILE QG1 14 LEU HA 6.00 (# 51516.1 Unique )
&rst
ixpk= 51516, nxpk= 0, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 466, 467,
&end
#
# 29 ILE MG2 34 ILE MD 3.10 (# 51520.1 Unique )
&rst
ixpk= 51520, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 462, 463, 464,
igr2= 541, 542, 543,
&end
#
# 0 AMB m:51538a 0 AMB m:51538b 3.90 (# 51538.1 Double Ambig [MB 10 MB 84] [HA 105 HA 31] )
&rst
ixpk= 51538, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 166, 167, 168,1307,1308,1309,
igr2=1637, 484,
&end
#
# 0 AMB m:51550a 0 AMB m:51550b 3.30 (# 51550.1 Double Ambig [QB 106 QB 32] [QG 106 QG 32] )
&rst
ixpk= 51550, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1653,1654, 500, 501,
igr2=1656,1657, 503, 504,
&end
#
# 119 VAL MG1 32 GLU QG 5.20 (# 51558.1 Unique )
&rst
ixpk= 51558, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1857,1858,1859,
igr2= 503, 504,
&end
#
# 108 ILE HB 112 LEU MD1 5.60 (# 51573.1 Unique )
&rst
ixpk= 51573, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1754,1755,1756,
&end
#
# 0 AMB m:51576a 0 AMB m:51576b 3.60 (# 51576.1 Double Ambig [HB 34 HB 108] [HA 31 HA 105] )
&rst
ixpk= 51576, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 532,1685,
igr2= 484,1637,
&end
#
# 0 AMB m:51580a 0 AMB m:51580b 3.30 (# 51580.1 Double Ambig [QG1 34 QG1 108] [MG2 34 MG2 108] )
&rst
ixpk= 51580, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 538, 539,1691,1692,
igr2= 534, 535, 536,1687,1688,1689,
&end
#
# 0 AMB m:51586a 0 AMB m:51586b 2.40 (# 51586.1 Double Ambig [QG1 34 QG1 108] [MD 34 MD 108] )
&rst
ixpk= 51586, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 538, 539,1691,1692,
igr2= 541, 542, 543,1694,1695,1696,
&end
#
# 0 AMB m:51596a 0 AMB m:51596b 3.10 (# 51596.1 Double Ambig [QB 115 QB 41] [QG 115 QG 41] )
&rst
ixpk= 51596, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1811,1812, 655, 656,
igr2=1814,1815, 658, 659,
&end
#
# 103 VAL MG1 108 ILE MD 3.90 (# 51621.1 Unique )
&rst
ixpk= 51621, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1618,1619,1620,
igr2=1694,1695,1696,
&end
#
# 0 AMB m:51624a 0 AMB m:51624b 3.10 (# 51624.1 Double Ambig [QB 35 QB 109] [HA 35 HA 109] )
&rst
ixpk= 51624, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 551, 552,1704,1705,
igr2= 549,1702,
&end
#
# 0 AMB m:51630a 0 AMB m:51630b 3.80 (# 51630.1 Double Ambig [QB 109 QB 35] [HA 106 HA 32] )
&rst
ixpk= 51630, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1704,1705, 551, 552,
igr2=1651, 498,
&end
#
# 60 ILE MD 55 LEU MD1 2.40 (# 51643.1 Unique )
&rst
ixpk= 51643, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1= 925, 926, 927,
igr2= 847, 848, 849,
&end
#
# 38 LEU MD1 46 ALA MB 3.10 (# 51658.1 Unique )
&rst
ixpk= 51658, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 601, 602, 603,
igr2= 718, 719, 720,
&end
#
# 38 LEU MD1 108 ILE MG2 2.70 (# 51661.1 Unique )
&rst
ixpk= 51661, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 601, 602, 603,
igr2=1687,1688,1689,
&end
#
# 38 LEU MD1 0 AMB m:51664 4.20 (# 51664.1 Single Ambig [QB 35 QB 109] )
&rst
ixpk= 51664, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 601, 602, 603,
igr2= 551, 552,1704,1705,
&end
#
# 123 VAL HB 123 VAL MG1 2.30 (# 51669.1 Unique )
&rst
ixpk= 51669, nxpk= 0, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,
igr2=1917,1918,1919,
&end
#
# 39 VAL HB 0 AMB m:51672 2.20 (# 51672.1 Single Ambig [MG2 39 MG1 39] )
&rst
ixpk= 51672, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2= 621, 622, 623, 617, 618, 619,
&end
#
# 39 VAL MG2 38 LEU QB 4.80 (# 51694.1 Unique )
&rst
ixpk= 51694, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 621, 622, 623,
igr2= 596, 597,
&end
#
# 39 VAL MG2 50 LEU QB 6.00 (# 51698.1 Unique )
&rst
ixpk= 51698, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 621, 622, 623,
igr2= 770, 771,
&end
#
# 39 VAL MG2 61 GLN HA 6.00 (# 51702.1 Unique )
&rst
ixpk= 51702, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 621, 622, 623,
&end
#
# 40 ARG QB 40 ARG QB 3.30 (# 51712.1 Unique )
#This appears to be self-referential: ignoring
#
# 48 LYS QB 45 ILE HA 3.90 (# 51735.1 Unique )
&rst
ixpk= 51735, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 738, 739,
&end
#
# 138 VAL MG2 45 ILE HB 6.00 (# 51745.1 Unique )
&rst
ixpk= 51745, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2160,2161,2162,
&end
#
# 45 ILE HB 0 AMB m:51748 6.00 (# 51748.1 Single Ambig [MG2 138 MD2 139] )
&rst
ixpk= 51748, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=2160,2161,2162,2179,2180,2181,
&end
#
# 45 ILE HB 138 VAL MG1 5.60 (# 51752.1 Unique )
&rst
ixpk= 51752, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2156,2157,2158,
&end
#
# 45 ILE QG1 0 AMB m:51759 5.60 (# 51759.1 Single Ambig [MD2 142 MD1 141 MD2 141] )
&rst
ixpk= 51759, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.07, r4= 9.57,
igr1= 705, 706,
igr2=2234,2235,2236,2211,2212,2213,2215,2216,2217,
&end
#
# 138 VAL MG2 46 ALA HA 3.80 (# 51770.1 Unique )
&rst
ixpk= 51770, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=2160,2161,2162,
&end
#
# 46 ALA HA 45 ILE MG2 3.40 (# 51773.1 Unique )
&rst
ixpk= 51773, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 701, 702, 703,
&end
#
# 50 LEU MD1 50 LEU HA 5.60 (# 51776.1 Unique )
&rst
ixpk= 51776, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 775, 776, 777,
&end
#
# 52 ALA MB 53 LEU HA 5.00 (# 51779.1 Unique )
&rst
ixpk= 51779, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 806, 807, 808,
&end
#
# 64 VAL HB 64 VAL HA 3.30 (# 51789.1 Unique )
&rst
ixpk= 51789, nxpk= 0, iat= 989, 987, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 108 ILE MG2 88 ILE MD 4.10 (# 51827.1 Unique )
&rst
ixpk= 51827, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1687,1688,1689,
igr2=1386,1387,1388,
&end
#
# 90 LEU MD2 93 ASP QB 4.60 (# 51836.1 Unique )
&rst
ixpk= 51836, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1420,1421,1422,
igr2=1458,1459,
&end
#
# 0 AMB m:51840 106 GLU QG 4.00 (# 51840.1 Single Ambig [MD2 139 MD2 142] )
&rst
ixpk= 51840, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2179,2180,2181,2234,2235,2236,
igr2=1656,1657,
&end
#
# 109 LEU HG 113 ILE MD 3.30 (# 51848.1 Unique )
&rst
ixpk= 51848, nxpk= 0, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1777,1778,1779,
&end
#
# 121 ALA MB 122 ARG HA 4.30 (# 51851.1 Unique )
&rst
ixpk= 51851, nxpk= 0, iat= -1,1889, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1881,1882,1883,
&end
#
# 35 LEU MD2 123 VAL HB 3.80 (# 51868.1 Unique )
&rst
ixpk= 51868, nxpk= 0, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 560, 561, 562,
&end
#
# 60 ILE MG2 123 VAL HB 5.20 (# 51871.1 Unique )
&rst
ixpk= 51871, nxpk= 0, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 918, 919, 920,
&end
#
# 60 ILE MD 39 VAL HB 6.00 (# 51874.1 Unique )
&rst
ixpk= 51874, nxpk= 0, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 925, 926, 927,
&end
#
# 121 ALA MB 131 LEU MD2 6.00 (# 51880.1 Unique; orig = 4.00 )
&rst
ixpk= 51880, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1881,1882,1883,
igr2=2040,2041,2042,
&end
#
# 60 ILE MG2 123 VAL MG2 3.80 (# 51889.1 Unique )
&rst
ixpk= 51889, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 918, 919, 920,
igr2=1921,1922,1923,
&end
#
# 60 ILE HA 123 VAL MG1 3.60 (# 51895.1 Unique )
&rst
ixpk= 51895, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1917,1918,1919,
&end
#
# 0 AMB m:51911a 0 AMB m:51911b 5.00 (# 51911.1 Double Ambig [QG 106 QG 32] [HA 106 HA 32] )
&rst
ixpk= 51911, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1656,1657, 503, 504,
igr2=1651, 498,
&end
#
# 0 AMB m:51917 124 LEU QB 4.50 (# 51917.1 Single Ambig [MG2 129 MG1 129] )
&rst
ixpk= 51917, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2010,2011,2012,2006,2007,2008,
igr2=1931,1932,
&end
#
# 60 ILE MG2 124 LEU MD2 5.30 (# 51928.1 Unique )
&rst
ixpk= 51928, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 918, 919, 920,
igr2=1940,1941,1942,
&end
#
# 125 ASN HA 125 ASN QB 3.50 (# 51939.1 Unique )
&rst
ixpk= 51939, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1950,1951,
&end
#
# 122 ARG HA 125 ASN QB 3.50 (# 51945.1 Unique )
&rst
ixpk= 51945, nxpk= 0, iat=1889, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1950,1951,
&end
#
# 133 LYS QB 129 VAL HA 5.00 (# 51955.1 Unique )
&rst
ixpk= 51955, nxpk= 0, iat= -1,2002, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2064,2065,
&end
#
# 52 ALA MB 51 GLN QB 6.00 (# 51972.1 Unique )
&rst
ixpk= 51972, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 806, 807, 808,
igr2= 789, 790,
&end
#
# 61 GLN HA 64 VAL HB 3.00 (# 51976.1 Unique )
&rst
ixpk= 51976, nxpk= 0, iat= 933, 989, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 112 LEU MD2 87 VAL MG2 3.00 (# 51982.1 Unique )
&rst
ixpk= 51982, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1758,1759,1760,
igr2=1367,1368,1369,
&end
#
# 137 GLN QB 52 ALA MB 3.80 (# 51985.1 Unique )
&rst
ixpk= 51985, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=2137,2138,
igr2= 806, 807, 808,
&end
#
# 0 AMB m:51989a 0 AMB m:51989b 2.90 (# 51989.1 Double Ambig [QB 62 QB 59] [HA 62 HA 59] )
&rst
ixpk= 51989, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 952, 953, 894, 895,
igr2= 950, 892,
&end
#
# 65 GLU QB 65 GLU QG 3.10 (# 51994.1 Unique )
&rst
ixpk= 51994, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1005,1006,
igr2=1008,1009,
&end
#
# 65 GLU QB 65 GLU QG 3.50 (# 51997.1 Unique )
&rst
ixpk= 51997, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1005,1006,
igr2=1008,1009,
&end
#
# 0 AMB m:52000a 0 AMB m:52000b 4.90 (# 52000.1 Double Ambig [QB 61 QB 18 QB 136] [MD2 36 MD1 22 MD1 139] )
&rst
ixpk= 52000, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1= 935, 936, 289, 290,2120,2121,
igr2= 579, 580, 581, 351, 352, 353,2175,2176,2177,
&end
#
# 0 AMB m:52006a 0 AMB m:52006b 4.60 (# 52006.1 Double Ambig [QB 61 QB 140 QB 136] [MD1 36 MD2 142 MD1 141 MG2 138 MD2 53 MD2 139] )
&rst
ixpk= 52006, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.04, r4=10.54,
igr1= 935, 936,2189,2190,2120,2121,
igr2= 575, 576, 577,2234,2235,2236,2211,2212,2213,2160,
2161,2162, 825, 826, 827,2179,2180,2181,
&end
#
# 0 AMB m:52015a 0 AMB m:52015b 6.00 (# 52015.1 Double Ambig [MD2 38 MD1 90 MD1 16] [HA 38 HA 90 HA 16] )
&rst
ixpk= 52015, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.39, r4=10.89,
igr1= 605, 606, 607,1416,1417,1418, 265, 266, 267,
igr2= 594,1409, 258,
&end
#
# 0 AMB m:52020a 0 AMB m:52020b 6.00 (# 52020.1 Double Ambig [MD1 90 MD1 55] [QB 86 QB 59 QB 62 QB 133] )
&rst
ixpk= 52020, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1416,1417,1418, 847, 848, 849,
igr2=1339,1340, 894, 895, 952, 953,2064,2065,
&end
#
# 0 AMB m:52026a 0 AMB m:52026b 2.60 (# 52026.1 Double Ambig [MD2 67 MD2 22] [HG 67 HG 22] )
&rst
ixpk= 52026, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1040,1041,1042, 355, 356, 357,
igr2=1034, 349,
&end
#
# 22 LEU MD2 78 ILE MD 6.00 (# 52030.1 Unique )
&rst
ixpk= 52030, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 355, 356, 357,
igr2=1207,1208,1209,
&end
#
# 0 AMB m:52036a 0 AMB m:52036b 5.40 (# 52036.1 Double Ambig [HB 34 HB 108] [MG1 87 MD2 14 MG2 13] )
&rst
ixpk= 52036, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.74, r4= 9.24,
igr1= 532,1685,
igr2=1363,1364,1365, 240, 241, 242, 221, 222, 223,
&end
#
# 0 AMB m:52042a 0 AMB m:52042b 3.00 (# 52042.1 Double Ambig [HB 34 HB 108] [MD2 112 MD2 38] )
&rst
ixpk= 52042, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 532,1685,
igr2=1758,1759,1760, 605, 606, 607,
&end
#
# 0 AMB m:52046a 0 AMB m:52046b 5.40 (# 52046.1 Double Ambig [MG2 45 MG2 34 MG2 108] [MB 46 MB 120] )
&rst
ixpk= 52046, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.50, r4=11.00,
igr1= 701, 702, 703, 534, 535, 536,1687,1688,1689,
igr2= 718, 719, 720,1871,1872,1873,
&end
#
# 0 AMB m:52052a 0 AMB m:52052b 3.30 (# 52052.1 Double Ambig [MD1 35 MD1 109] [QB 35 QB 109] )
&rst
ixpk= 52052, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 556, 557, 558,1709,1710,1711,
igr2= 551, 552,1704,1705,
&end
#
# 0 AMB m:52064a 0 AMB m:52064b 6.00 (# 52064.1 Double Ambig [MB 17 MB 52 MB 15] [QB 18 QB 137] )
&rst
ixpk= 52064, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 279, 280, 281, 806, 807, 808, 250, 251, 252,
igr2= 289, 290,2137,2138,
&end
#
# 124 LEU MD1 113 ILE MG2 3.60 (# 52070.1 Unique )
&rst
ixpk= 52070, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1936,1937,1938,
igr2=1770,1771,1772,
&end
#
# 0 AMB m:52073a 0 AMB m:52073b 6.00 (# 52073.1 Double Ambig [MD1 124 MD1 50] [MB 120 MB 46] )
&rst
ixpk= 52073, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1936,1937,1938, 775, 776, 777,
igr2=1871,1872,1873, 718, 719, 720,
&end
#
# 0 AMB m:52077a 0 AMB m:52077b 2.90 (# 52077.1 Double Ambig [MD2 142 MD2 53 MD1 141] [QB 142 QB 53 QB 141] )
&rst
ixpk= 52077, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=2234,2235,2236, 825, 826, 827,2211,2212,2213,
igr2=2225,2226, 816, 817,2206,2207,
&end
#
# 0 AMB m:52085a 0 AMB m:52085b 4.30 (# 52085.1 Double Ambig [MG2 138 MD2 53 MD1 141] [HA 49 HA 134] )
&rst
ixpk= 52085, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=2160,2161,2162, 825, 826, 827,2211,2212,2213,
igr2= 758,2084,
&end
#
# 0 AMB m:52091 139 LEU HA 6.00 (# 52091.1 Single Ambig [MD2 142 MD2 139] )
&rst
ixpk= 52091, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2234,2235,2236,2179,2180,2181,
&end
#
# 0 AMB m:52098a 0 AMB m:52098b 4.70 (# 52098.1 Double Ambig [MD1 141 MD1 24 MD1 36 MD1 98 MD2 67] [QB 48 QG 32 QB 97 HB 119] )
&rst
ixpk= 52098, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.21, r4=10.71,
igr1=2211,2212,2213, 394, 395, 396, 575, 576, 577,1546,
1547,1548,1040,1041,1042,
igr2= 738, 739, 503, 504,1519,1520,1855,
&end
#
# 0 AMB m:52107a 0 AMB m:52107b 4.10 (# 52107.1 Double Ambig [MD2 53 MG2 138 MD2 142] [QB 137 QB 140] )
&rst
ixpk= 52107, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1= 825, 826, 827,2160,2161,2162,2234,2235,2236,
igr2=2137,2138,2189,2190,
&end
#
# 0 AMB m:52112a 0 AMB m:52112b 3.60 (# 52112.1 Double Ambig [MD2 53 MD1 24 MG2 138] [QB 137 QB 65] )
&rst
ixpk= 52112, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 825, 826, 827, 394, 395, 396,2160,2161,2162,
igr2=2137,2138,1005,1006,
&end
#
# 0 AMB m:52117a 0 AMB m:52117b 4.50 (# 52117.1 Double Ambig [MG2 138 MD1 36 MD1 24 MD1 141 MD2 139] [QB 106 QB 32 QG1 45] )
&rst
ixpk= 52117, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=2160,2161,2162, 575, 576, 577, 394, 395, 396,2211,
2212,2213,2179,2180,2181,
igr2=1653,1654, 500, 501, 705, 706,
&end
#
# 78 ILE MD 22 LEU HG 4.10 (# 52127.1 Unique )
&rst
ixpk= 52127, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1207,1208,1209,
&end
#
# 0 AMB m:52130a 0 AMB m:52130b 4.70 (# 52130.1 Double Ambig [MG2 34 MG2 108 MG2 60] [HA 35 HA 109 HA 36 HA 112] )
&rst
ixpk= 52130, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 534, 535, 536,1687,1688,1689, 918, 919, 920,
igr2= 549,1702, 568,1747,
&end
#
# 0 AMB m:52138a 0 AMB m:52138b 4.30 (# 52138.1 Double Ambig [MG2 68 MG2 113] [MG1 119 MG1 64 MG1 129 MD1 109] )
&rst
ixpk= 52138, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.77, r4= 9.27,
igr1=1052,1053,1054,1770,1771,1772,
igr2=1857,1858,1859, 991, 992, 993,2006,2007,2008,1709,
1710,1711,
&end
#
# 77 THR MG2 76 GLN QB 6.00 (# 52144.1 Unique )
&rst
ixpk= 52144, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1186,1187,1188,
igr2=1167,1168,
&end
#
# 0 AMB m:52147a 0 AMB m:52147b 3.80 (# 52147.1 Double Ambig [HB 87 HB 13] [MD 34 MD 108] )
&rst
ixpk= 52147, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1361, 215,
igr2= 541, 542, 543,1694,1695,1696,
&end
#
# 0 AMB m:52151a 0 AMB m:52151b 4.50 (# 52151.1 Double Ambig [HB 87 HB 13] [MG2 31 MG2 105] )
&rst
ixpk= 52151, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1361, 215,
igr2= 488, 489, 490,1641,1642,1643,
&end
#
# 0 AMB m:52155a 0 AMB m:52155b 6.00 (# 52155.1 Double Ambig [MD2 14 MG1 87 MG2 13] [MD 108 MD 34] )
&rst
ixpk= 52155, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
igr1= 240, 241, 242,1363,1364,1365, 221, 222, 223,
igr2=1694,1695,1696, 541, 542, 543,
&end
#
# 123 VAL MG1 0 AMB m:52161 6.00 (# 52161.1 Single Ambig [MG2 123 MG2 64] )
&rst
ixpk= 52161, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1917,1918,1919,
igr2=1921,1922,1923, 995, 996, 997,
&end
#
# 103 VAL MG2 5 ARG QB 6.00 (# 52168.1 Unique )
&rst
ixpk= 52168, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1622,1623,1624,
igr2= 69, 70,
&end
#
# 0 AMB m:52174 113 ILE MD 6.00 (# 52174.1 Single Ambig [MD1 109 MD2 110] )
&rst
ixpk= 52174, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1709,1710,1711,1732,1733,1734,
igr2=1777,1778,1779,
&end
#
# 112 LEU MD1 0 AMB m:52178 2.80 (# 52178.1 Single Ambig [HG 112 HG 38] )
&rst
ixpk= 52178, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1754,1755,1756,
igr2=1752, 599,
&end
#
# 113 ILE MD 110 LEU HA 4.50 (# 52182.1 Unique; orig = 3.10 )
&rst
ixpk= 52182, nxpk= 0, iat= -1,1721, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1777,1778,1779,
&end
#
# 123 VAL HA 0 AMB m:52194 2.50 (# 52194.1 Single Ambig [MG2 123 MG2 64] )
&rst
ixpk= 52194, nxpk= 0, iat=1913, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1921,1922,1923, 995, 996, 997,
&end
#
# 0 AMB m:52198 60 ILE MG2 2.80 (# 52198.1 Single Ambig [MG2 64 MG2 123] )
&rst
ixpk= 52198, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 995, 996, 997,1921,1922,1923,
igr2= 918, 919, 920,
&end
#
# 131 LEU MD2 131 LEU HG 3.30 (# 52202.1 Unique )
&rst
ixpk= 52202, nxpk= 0, iat= -1,2034, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2040,2041,2042,
&end
#
# 0 AMB m:52217a 0 AMB m:52217b 3.80 (# 52217.1 Double Ambig [MD2 141 MD1 142] [QB 141 QB 142] )
&rst
ixpk= 52217, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=2215,2216,2217,2230,2231,2232,
igr2=2206,2207,2225,2226,
&end
#
# 141 LEU MD2 141 LEU QB 3.30 (# 52221.1 Unique )
&rst
ixpk= 52221, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=2215,2216,2217,
igr2=2206,2207,
&end
#
# 0 AMB m:52224a 0 AMB m:52224b 2.60 (# 52224.1 Double Ambig [MD2 35 MD1 55 MD2 109] [HG 35 HG 55 HG 109] )
&rst
ixpk= 52224, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 560, 561, 562, 847, 848, 849,1713,1714,1715,
igr2= 554, 845,1707,
&end
#
# 0 AMB m:52233a 0 AMB m:52233b 2.80 (# 52233.1 Double Ambig [MG2 138 MD1 36 MG1 64] [HB 138 HB 64] )
&rst
ixpk= 52233, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2160,2161,2162, 575, 576, 577, 991, 992, 993,
igr2=2154, 989,
&end
#
# 0 AMB m:52238a 0 AMB m:52238b 3.00 (# 52238.1 Double Ambig [MD1 36 MD1 109 MD2 110 MD1 35 MG1 64] [HA 36 HA 109 HA 110 HA 35] )
&rst
ixpk= 52238, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 575, 576, 577,1709,1710,1711,1732,1733,1734, 556,
557, 558, 991, 992, 993,
igr2= 568,1702,1721, 549,
&end
#
# 0 AMB m:52246a 0 AMB m:52246b 2.60 (# 52246.1 Double Ambig [HA 51 HA 136] [QB 51 QB 136] )
&rst
ixpk= 52246, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 787,2118,
igr2= 789, 790,2120,2121,
&end
#
# 0 AMB m:52251a 0 AMB m:52251b 2.20 (# 52251.1 Double Ambig [QB 139 QB 50 QB 110] [QB 139 QB 50 QB 110] )
#This appears to be self-referential: ignoring
#
# 34 ILE MD 88 ILE QG1 6.00 (# 52259.1 Unique )
&rst
ixpk= 52259, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 541, 542, 543,
igr2=1383,1384,
&end
#
# 0 AMB m:52262a 0 AMB m:52262b 4.60 (# 52262.1 Double Ambig [MD2 16 MD2 67 MD1 24 MD1 36] [QB 40 QB 122 QB 70] )
&rst
ixpk= 52262, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.38, r4= 9.88,
igr1= 269, 270, 271,1040,1041,1042, 394, 395, 396, 575,
576, 577,
igr2= 631, 632,1891,1892,1076,1077,
&end
#
# 18 GLN QB 78 ILE MD 6.00 (# 52268.1 Unique )
&rst
ixpk= 52268, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 289, 290,
igr2=1207,1208,1209,
&end
#
# 0 AMB m:52271a 0 AMB m:52271b 5.20 (# 52271.1 Double Ambig [QB 18 QB 11] [MD1 22 MD2 38] )
&rst
ixpk= 52271, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.83, r4= 9.33,
igr1= 289, 290, 176, 177,
igr2= 351, 352, 353, 605, 606, 607,
&end
#
# 0 AMB m:52275a 0 AMB m:52275b 3.80 (# 52275.1 Double Ambig [QB 20 QB 89] [HA 20 HA 86] )
&rst
ixpk= 52275, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 321, 322,1396,1397,
igr2= 319,1337,
&end
#
# 0 AMB m:52280a 0 AMB m:52280b 3.80 (# 52280.1 Double Ambig [MD2 36 MD1 110] [QB 20 QB 94] )
&rst
ixpk= 52280, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 579, 580, 581,1728,1729,1730,
igr2= 321, 322,1470,1471,
&end
#
# 0 AMB m:52285 127 LEU QB 6.00 (# 52285.1 Single Ambig [MD2 124 MD2 50] )
&rst
ixpk= 52285, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1940,1941,1942, 779, 780, 781,
igr2=1978,1979,
&end
#
# 0 AMB m:52298a 0 AMB m:52298b 3.60 (# 52298.1 Double Ambig [QB 41 QB 115] [MD1 16 MD1 90] )
&rst
ixpk= 52298, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 655, 656,1811,1812,
igr2= 265, 266, 267,1416,1417,1418,
&end
#
# 38 LEU MD1 0 AMB m:52302 6.00 (# 52302.1 Single Ambig [MG2 13 MG1 87] )
&rst
ixpk= 52302, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 601, 602, 603,
igr2= 221, 222, 223,1363,1364,1365,
&end
#
# 32 GLU HA 0 AMB m:52310 3.60 (# 52310.1 Single Ambig [MG2 64 MG2 123] )
&rst
ixpk= 52310, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 995, 996, 997,1921,1922,1923,
&end
#
# 61 GLN HA 0 AMB m:52314 2.50 (# 52314.1 Single Ambig [MD1 36 MG1 64] )
&rst
ixpk= 52314, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 575, 576, 577, 991, 992, 993,
&end
#
# 32 GLU QG 0 AMB m:52318 5.20 (# 52318.1 Single Ambig [MG1 64 MG1 119 MD1 24] )
&rst
ixpk= 52318, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr1= 503, 504,
igr2= 991, 992, 993,1857,1858,1859, 394, 395, 396,
&end
#
# 39 VAL MG2 0 AMB m:52323 5.00 (# 52323.1 Single Ambig [MD2 35 MD1 127 MD1 38] )
&rst
ixpk= 52323, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.66, r4= 9.16,
igr1= 621, 622, 623,
igr2= 560, 561, 562,1983,1984,1985, 601, 602, 603,
&end
#
# 0 AMB m:52328a 0 AMB m:52328b 3.80 (# 52328.1 Double Ambig [QB 133 QB 62 QB 59] [HA 133 HA 62 HA 59] )
&rst
ixpk= 52328, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=2064,2065, 952, 953, 894, 895,
igr2=2062, 950, 892,
&end
#
# 0 AMB m:52343a 0 AMB m:52343b 4.30 (# 52343.1 Double Ambig [HA 31 HA 105] [MB 120 MB 46] )
&rst
ixpk= 52343, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 484,1637,
igr2=1871,1872,1873, 718, 719, 720,
&end
#
# 18 GLN QB 17 ALA MB 5.40 (# 52347.1 Unique )
&rst
ixpk= 52347, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 289, 290,
igr2= 279, 280, 281,
&end
#
# 14 LEU HN 10 ALA O 2.30 (# 90001.1 H-bond )
&rst
ixpk= 90001, nxpk= 0, iat= 227, 170, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 14 LEU N 10 ALA O 3.00 (# 90002.1 H-bond )
&rst
ixpk= 90002, nxpk= 0, iat= 226, 170, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 15 ALA HN 11 GLN O 2.30 (# 90003.1 H-bond )
&rst
ixpk= 90003, nxpk= 0, iat= 246, 187, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 15 ALA N 11 GLN O 3.00 (# 90004.1 H-bond )
&rst
ixpk= 90004, nxpk= 0, iat= 245, 187, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 16 LEU HN 12 LYS O 2.30 (# 90005.1 H-bond )
&rst
ixpk= 90005, nxpk= 0, iat= 256, 209, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 16 LEU N 12 LYS O 3.00 (# 90006.1 H-bond )
&rst
ixpk= 90006, nxpk= 0, iat= 255, 209, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 17 ALA HN 13 VAL O 2.30 (# 90007.1 H-bond )
&rst
ixpk= 90007, nxpk= 0, iat= 275, 225, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 17 ALA N 13 VAL O 3.00 (# 90008.1 H-bond )
&rst
ixpk= 90008, nxpk= 0, iat= 274, 225, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 20 GLU HN 16 LEU O 2.30 (# 90009.1 H-bond )
&rst
ixpk= 90009, nxpk= 0, iat= 317, 273, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 20 GLU N 16 LEU O 3.00 (# 90010.1 H-bond )
&rst
ixpk= 90010, nxpk= 0, iat= 316, 273, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 21 ALA HN 17 ALA O 2.30 (# 90011.1 H-bond )
&rst
ixpk= 90011, nxpk= 0, iat= 332, 283, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 21 ALA N 17 ALA O 3.00 (# 90012.1 H-bond )
&rst
ixpk= 90012, nxpk= 0, iat= 331, 283, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 22 LEU HN 18 GLN O 2.30 (# 90013.1 H-bond )
&rst
ixpk= 90013, nxpk= 0, iat= 342, 300, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 22 LEU N 18 GLN O 3.00 (# 90014.1 H-bond )
&rst
ixpk= 90014, nxpk= 0, iat= 341, 300, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 23 ARG HN 19 GLU O 2.30 (# 90015.1 H-bond )
&rst
ixpk= 90015, nxpk= 0, iat= 361, 315, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 23 ARG N 19 GLU O 3.00 (# 90016.1 H-bond )
&rst
ixpk= 90016, nxpk= 0, iat= 360, 315, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 35 LEU HN 31 THR O 2.30 (# 90017.1 H-bond )
&rst
ixpk= 90017, nxpk= 0, iat= 547, 494, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 35 LEU N 31 THR O 3.00 (# 90018.1 H-bond )
&rst
ixpk= 90018, nxpk= 0, iat= 546, 494, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 36 LEU HN 32 GLU O 2.30 (# 90019.1 H-bond )
&rst
ixpk= 90019, nxpk= 0, iat= 566, 509, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 36 LEU N 32 GLU O 3.00 (# 90020.1 H-bond )
&rst
ixpk= 90020, nxpk= 0, iat= 565, 509, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 37 GLY HN 33 HIS O 2.30 (# 90021.1 H-bond )
&rst
ixpk= 90021, nxpk= 0, iat= 585, 526, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 37 GLY N 33 HIS O 3.00 (# 90022.1 H-bond )
&rst
ixpk= 90022, nxpk= 0, iat= 584, 526, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 38 LEU HN 34 ILE O 2.30 (# 90023.1 H-bond )
&rst
ixpk= 90023, nxpk= 0, iat= 592, 545, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 38 LEU N 34 ILE O 3.00 (# 90024.1 H-bond )
&rst
ixpk= 90024, nxpk= 0, iat= 591, 545, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 49 ALA HN 45 ILE O 2.30 (# 90025.1 H-bond )
&rst
ixpk= 90025, nxpk= 0, iat= 756, 712, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 49 ALA N 45 ILE O 3.00 (# 90026.1 H-bond )
&rst
ixpk= 90026, nxpk= 0, iat= 755, 712, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 50 LEU HN 46 ALA O 2.30 (# 90027.1 H-bond )
&rst
ixpk= 90027, nxpk= 0, iat= 766, 722, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 50 LEU N 46 ALA O 3.00 (# 90028.1 H-bond )
&rst
ixpk= 90028, nxpk= 0, iat= 765, 722, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 51 GLN HN 47 ALA O 2.30 (# 90029.1 H-bond )
&rst
ixpk= 90029, nxpk= 0, iat= 785, 732, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 51 GLN N 47 ALA O 3.00 (# 90030.1 H-bond )
&rst
ixpk= 90030, nxpk= 0, iat= 784, 732, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 65 GLU HN 61 GLN O 2.30 (# 90031.1 H-bond )
&rst
ixpk= 90031, nxpk= 0, iat=1001, 946, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 65 GLU N 61 GLN O 3.00 (# 90032.1 H-bond )
&rst
ixpk= 90032, nxpk= 0, iat=1000, 946, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 90 LEU HN 86 LYS O 2.30 (# 90033.1 H-bond )
&rst
ixpk= 90033, nxpk= 0, iat=1407,1355, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 90 LEU N 86 LYS O 3.00 (# 90034.1 H-bond )
&rst
ixpk= 90034, nxpk= 0, iat=1406,1355, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 91 SER HN 87 VAL O 2.30 (# 90035.1 H-bond )
&rst
ixpk= 90035, nxpk= 0, iat=1426,1371, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 91 SER N 87 VAL O 3.00 (# 90036.1 H-bond )
&rst
ixpk= 90036, nxpk= 0, iat=1425,1371, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 94 GLU HN 90 LEU O 2.30 (# 90037.1 H-bond )
&rst
ixpk= 90037, nxpk= 0, iat=1466,1424, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 94 GLU N 90 LEU O 3.00 (# 90038.1 H-bond )
&rst
ixpk= 90038, nxpk= 0, iat=1465,1424, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 110 LEU HN 106 GLU O 2.30 (# 90039.1 H-bond )
&rst
ixpk= 90039, nxpk= 0, iat=1719,1662, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 110 LEU N 106 GLU O 3.00 (# 90040.1 H-bond )
&rst
ixpk= 90040, nxpk= 0, iat=1718,1662, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 111 GLY HN 107 HIS O 2.30 (# 90041.1 H-bond )
&rst
ixpk= 90041, nxpk= 0, iat=1738,1679, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 111 GLY N 107 HIS O 3.00 (# 90042.1 H-bond )
&rst
ixpk= 90042, nxpk= 0, iat=1737,1679, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 112 LEU HN 108 ILE O 2.30 (# 90043.1 H-bond )
&rst
ixpk= 90043, nxpk= 0, iat=1745,1698, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 112 LEU N 108 ILE O 3.00 (# 90044.1 H-bond )
&rst
ixpk= 90044, nxpk= 0, iat=1744,1698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 113 ILE HN 109 LEU O 2.30 (# 90045.1 H-bond )
&rst
ixpk= 90045, nxpk= 0, iat=1764,1717, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 113 ILE N 109 LEU O 3.00 (# 90046.1 H-bond )
&rst
ixpk= 90046, nxpk= 0, iat=1763,1717, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 135 ARG HN 131 LEU O 2.30 (# 90047.1 H-bond )
&rst
ixpk= 90047, nxpk= 0, iat=2092,2044, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 135 ARG N 131 LEU O 3.00 (# 90048.1 H-bond )
&rst
ixpk= 90048, nxpk= 0, iat=2091,2044, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 136 GLN HN 132 ASN O 2.30 (# 90049.1 H-bond )
&rst
ixpk= 90049, nxpk= 0, iat=2116,2058, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 136 GLN N 132 ASN O 3.00 (# 90050.1 H-bond )
&rst
ixpk= 90050, nxpk= 0, iat=2115,2058, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 138 VAL HN 134 ALA O 2.30 (# 90051.1 H-bond )
&rst
ixpk= 90051, nxpk= 0, iat=2150,2090, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 138 VAL N 134 ALA O 3.00 (# 90052.1 H-bond )
&rst
ixpk= 90052, nxpk= 0, iat=2149,2090, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 139 LEU HN 135 ARG O 2.30 (# 90053.1 H-bond )
&rst
ixpk= 90053, nxpk= 0, iat=2166,2114, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 139 LEU N 135 ARG O 3.00 (# 90054.1 H-bond )
&rst
ixpk= 90054, nxpk= 0, iat=2165,2114, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 140 GLN HN 136 GLN O 2.30 (# 90055.1 H-bond )
&rst
ixpk= 90055, nxpk= 0, iat=2185,2131, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 140 GLN N 136 GLN O 3.00 (# 90056.1 H-bond )
&rst
ixpk= 90056, nxpk= 0, iat=2184,2131, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 141 LEU HN 137 GLN O 2.30 (# 90057.1 H-bond )
&rst
ixpk= 90057, nxpk= 0, iat=2202,2148, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 141 LEU N 137 GLN O 3.00 (# 90058.1 H-bond )
&rst
ixpk= 90058, nxpk= 0, iat=2201,2148, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 103 VAL HN 5 ARG O 2.30 (# 90059.1 H-bond )
&rst
ixpk= 90059, nxpk= 0, iat=1612, 87, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 103 VAL N 5 ARG O 3.00 (# 90060.1 H-bond )
&rst
ixpk= 90060, nxpk= 0, iat=1611, 87, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 7 THR HN 103 VAL O 2.30 (# 90061.1 H-bond )
&rst
ixpk= 90061, nxpk= 0, iat= 109,1626, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 7 THR N 103 VAL O 3.00 (# 90062.1 H-bond )
&rst
ixpk= 90062, nxpk= 0, iat= 108,1626, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 29 ILE HN 79 HIS O 2.30 (# 90063.1 H-bond )
&rst
ixpk= 90063, nxpk= 0, iat= 456,1228, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 29 ILE N 79 HIS O 3.00 (# 90064.1 H-bond )
&rst
ixpk= 90064, nxpk= 0, iat= 455,1228, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 81 THR HN 29 ILE O 2.30 (# 90065.1 H-bond )
&rst
ixpk= 90065, nxpk= 0, iat=1251, 473, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 81 THR N 29 ILE O 3.00 (# 90066.1 H-bond )
&rst
ixpk= 90066, nxpk= 0, iat=1250, 473, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
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